From 1b9693bcf4350da2d62e37eef4ede52afe98700e Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 09:19:28 -0400 Subject: [PATCH 001/123] added reiter 1985 SS316L --- .../property_database/iron.py | 4 +- .../steel_316L/steel_316L.py | 57 +++++++++++++++++++ h_transport_materials/references.bib | 12 ++++ 3 files changed, 72 insertions(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/iron.py b/h_transport_materials/property_database/iron.py index 942a7b55..02aef03f 100644 --- a/h_transport_materials/property_database/iron.py +++ b/h_transport_materials/property_database/iron.py @@ -8,7 +8,9 @@ u = htm.ureg -IRON_MOLAR_VOLUME = 7.09e-6 # m3/mol https://www.aqua-calc.com/calculate/mole-to-volume-and-weight/substance/iron +# TODO give units to IRON_MOLAR_VOLUME +# https://www.aqua-calc.com/calculate/mole-to-volume-and-weight/substance/iron +IRON_MOLAR_VOLUME = 7.09e-6 # m3/mol volkl_diffusivity = Diffusivity( D_0=4.00e-8 * u.m**2 * u.s**-1, diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index d8c2edb3..523453af 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -29,6 +29,57 @@ note="this is an average of 5 papers on diffusivity from Reiter compilation review", ) +# TODO fit this ourselves +reiter_1985_solubility_h = Solubility( + S_0=1.84e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=6880 * u.J * u.mol**-1, + range=(600 * u.K, 900 * u.K), + isotope="h", + source="reiter_interaction_1985", + note="probably a unit mistake in the activation energies in original paper", +) + +reiter_1985_solubility_d = Solubility( + S_0=1.96e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=8090 * u.J * u.mol**-1, + range=(600 * u.K, 900 * u.K), + isotope="d", + source="reiter_interaction_1985", + note="probably a unit mistake in the activation energies in original paper", +) + +reiter_1985_diffusivity_h = Diffusivity( + D_0=2.99e-6 * u.m**2 * u.s**-1, + E_D=59700 * u.J * u.mol**-1, + range=(600 * u.K, 900 * u.K), + isotope="h", + source="reiter_interaction_1985", + note="probably a unit mistake in the activation energies in original paper", +) + +reiter_1985_diffusivity_d = Diffusivity( + D_0=1.74e-6 * u.m**2 * u.s**-1, + E_D=58100 * u.J * u.mol**-1, + range=(600 * u.K, 900 * u.K), + isotope="d", + source="reiter_interaction_1985", + note="probably a unit mistake in the activation energies in original paper", +) + +reiter_1985_permeability_h = reiter_1985_diffusivity_h * reiter_1985_solubility_h +reiter_1985_permeability_h.range = reiter_1985_diffusivity_h.range +reiter_1985_permeability_h.isotope = reiter_1985_diffusivity_h.isotope +reiter_1985_permeability_h.source = reiter_1985_diffusivity_h.source +reiter_1985_permeability_h.note = "calculated in HTM" + + +reiter_1985_permeability_d = reiter_1985_diffusivity_d * reiter_1985_solubility_d +reiter_1985_permeability_d.range = reiter_1985_diffusivity_d.range +reiter_1985_permeability_d.isotope = reiter_1985_diffusivity_d.isotope +reiter_1985_permeability_d.source = reiter_1985_diffusivity_d.source +reiter_1985_permeability_d.note = "calculated in HTM" + + houben_permeability = Permeability( pre_exp=8e-7 * u.mol * u.m**-1 * u.s**-1 * u.mbar**-0.5, act_energy=58 * u.kJ * u.mol**-1, @@ -234,6 +285,12 @@ serra_permeability, serra_diffusivity, serra_solubility, + reiter_1985_solubility_h, + reiter_1985_solubility_d, + reiter_1985_diffusivity_h, + reiter_1985_diffusivity_d, + reiter_1985_permeability_h, + reiter_1985_permeability_d, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 462c4a87..623f473f 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2411,3 +2411,15 @@ @article{ashdown_alloy_1980 year = {1980}, month = {6} } + +@article{reiter_interaction_1985, + author = {F. Reiter and J. Camposilvan and M. Caorlin and G. Saibenea and R. Sartoria}, + title = {Interaction of Hydrogen Isotopes with Stainless Steel 316 L}, + journal = {Fusion Technology}, + volume = {8}, + number = {2P2}, + pages = {2344-2351}, + year = {1985}, + publisher = {Taylor & Francis}, + doi = {10.13182/FST85-A24629}, +} From 1885135039beb23a0f82e378fa71230612d6b8ed Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 09:53:38 -0400 Subject: [PATCH 002/123] added shan data --- .../steel_316L/steel_316L.py | 67 +++++++++++++++++++ h_transport_materials/references.bib | 13 ++++ 2 files changed, 80 insertions(+) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index 523453af..3119f971 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -263,6 +263,67 @@ source="serra_hydrogen_2004", ) + +shan_permeability_h = Permeability( + data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_y=[8.95e-11, 3.46e-10, 1.07e-9, 2.78e-9, 6.30e-9, 8.84e-9] + * u.mol + * u.m**-1 + * u.s**-1 + * u.MPa**-0.5, + isotope="h", + source="shan_behavior_1991", + note="Table 1", +) + +shan_permeability_t = Permeability( + data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_y=[1.72e-11, 6.39e-11, 1.91e-10, 4.82e-10, 1.07e-9, 1.48e-9] + * u.mol + * u.m**-1 + * u.s**-1 + * u.MPa**-0.5, + isotope="t", + source="shan_behavior_1991", + note="Table 1", +) + +shan_diffusivity_h = Diffusivity( + data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_y=[1.39e-12, 4.51e-12, 1.20e-11, 2.76e-11, 5.64e-11, 7.57e-11] + * u.m**2 + * u.s**-1, + isotope="h", + source="shan_behavior_1991", + note="Table 1", +) + +shan_diffusivity_t = Diffusivity( + data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_y=[6.00e-12, 8.35e-12, 1.10e-11, 1.39e-11, 1.70e-11, 1.84e-11] + * u.m**2 + * u.s**-1, + isotope="t", + source="shan_behavior_1991", + note="Table 1", +) + +shan_solubility_h = Solubility( + S_0=shan_permeability_h.pre_exp / shan_diffusivity_h.pre_exp, + E_S=shan_permeability_h.act_energy - shan_diffusivity_h.act_energy, + isotope="h", + source="shan_behavior_1991", + note="calculated in HTM", +) + +shan_solubility_t = Solubility( + S_0=shan_permeability_t.pre_exp / shan_diffusivity_t.pre_exp, + E_S=shan_permeability_t.act_energy - shan_diffusivity_t.act_energy, + isotope="t", + source="shan_behavior_1991", + note="calculated in HTM", +) + properties = [ reiter_diffusivity, reiter_solubility, @@ -291,6 +352,12 @@ reiter_1985_diffusivity_d, reiter_1985_permeability_h, reiter_1985_permeability_d, + shan_permeability_h, + shan_permeability_t, + shan_diffusivity_h, + shan_diffusivity_t, + shan_solubility_h, + shan_solubility_t, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 623f473f..d85c5aff 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2423,3 +2423,16 @@ @article{reiter_interaction_1985 publisher = {Taylor & Francis}, doi = {10.13182/FST85-A24629}, } + +@article{shan_behavior_1991, + title = {The behavior of diffusion and permeation of tritium through 316L stainless steel}, + journal = {Journal of Nuclear Materials}, + volume = {179-181}, + pages = {322-324}, + year = {1991}, + issn = {0022-3115}, + doi = {https://doi.org/10.1016/0022-3115(91)90091-K}, + url = {https://www.sciencedirect.com/science/article/pii/002231159190091K}, + author = {Changqi Shan and Aiju Wu and Qingwang Chen}, + abstract = {Results on diffusivity, solubility coefficient and permeability of tritium through palladium-plated 316L stainless steel are described. An empirical formula for the diffusivity, the solubility coefficient and the permeability of tritium through palladium-plated 316L stainless steel at various temperatures is presented. The influence of tritium pressure on the permeability, and the isotope effect of diffusivity of hydrogen and tritium in 316L stainless steel is discussed.} +} From 32a811e90eb002dae85566060cdab55680e18f89 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 11:20:57 -0400 Subject: [PATCH 003/123] range for solbilities --- .../property_database/steel_316L/steel_316L.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index 3119f971..9351fd15 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -311,14 +311,17 @@ shan_solubility_h = Solubility( S_0=shan_permeability_h.pre_exp / shan_diffusivity_h.pre_exp, E_S=shan_permeability_h.act_energy - shan_diffusivity_h.act_energy, + range=shan_permeability_h.range, isotope="h", source="shan_behavior_1991", note="calculated in HTM", ) + shan_solubility_t = Solubility( S_0=shan_permeability_t.pre_exp / shan_diffusivity_t.pre_exp, E_S=shan_permeability_t.act_energy - shan_diffusivity_t.act_energy, + range=shan_permeability_t.range, isotope="t", source="shan_behavior_1991", note="calculated in HTM", From 396102d76a801df45f2a89ff403b297c9321a55f Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 11:27:01 -0400 Subject: [PATCH 004/123] float instead of int for data_T --- .../property_database/steel_316L/steel_316L.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index 9351fd15..b56e5e7c 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -265,7 +265,7 @@ shan_permeability_h = Permeability( - data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_T=[500.0, 550.0, 600.0, 650.0, 700.0, 723.0] * u.K, data_y=[8.95e-11, 3.46e-10, 1.07e-9, 2.78e-9, 6.30e-9, 8.84e-9] * u.mol * u.m**-1 @@ -277,7 +277,7 @@ ) shan_permeability_t = Permeability( - data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_T=[500.0, 550.0, 600.0, 650.0, 700.0, 723.0] * u.K, data_y=[1.72e-11, 6.39e-11, 1.91e-10, 4.82e-10, 1.07e-9, 1.48e-9] * u.mol * u.m**-1 @@ -289,7 +289,7 @@ ) shan_diffusivity_h = Diffusivity( - data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_T=[500.0, 550.0, 600.0, 650.0, 700.0, 723.0] * u.K, data_y=[1.39e-12, 4.51e-12, 1.20e-11, 2.76e-11, 5.64e-11, 7.57e-11] * u.m**2 * u.s**-1, @@ -299,7 +299,7 @@ ) shan_diffusivity_t = Diffusivity( - data_T=[500, 550, 600, 650, 700, 723] * u.K, + data_T=[500.0, 550.0, 600.0, 650.0, 700.0, 723.0] * u.K, data_y=[6.00e-12, 8.35e-12, 1.10e-11, 1.39e-11, 1.70e-11, 1.84e-11] * u.m**2 * u.s**-1, From b3cc81a02d9bf9a994039da24e64c27a7d8a21ce Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 11:52:09 -0400 Subject: [PATCH 005/123] added Penzhorn data --- .../steel_316L/steel_316L.py | 20 +++++++++++++++++++ h_transport_materials/references.bib | 12 +++++++++++ 2 files changed, 32 insertions(+) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index b56e5e7c..ed5b24da 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -327,6 +327,24 @@ note="calculated in HTM", ) +penzhorn_diffusivity_1 = Diffusivity( + D_0=1.9e-2 * u.cm**2 * u.s**-1, + E_D=61300 * u.J * u.mol**-1, + range=(373, 473) * u.K, + isotope="T", + source="penzhorn_distribution_2010", + note="Section III.B, temperature range is unclear", +) + +penzhorn_diffusivity_2 = Diffusivity( + D_0=1.5e-2 * u.cm**2 * u.s**-1, + E_D=57300 * u.J * u.mol**-1, + range=(373, 473) * u.K, + isotope="T", + source="penzhorn_distribution_2010", + note="Section III.C, temperature range is unclear", +) + properties = [ reiter_diffusivity, reiter_solubility, @@ -361,6 +379,8 @@ shan_diffusivity_t, shan_solubility_h, shan_solubility_t, + penzhorn_diffusivity_1, + penzhorn_diffusivity_2, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index d85c5aff..650d8808 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2436,3 +2436,15 @@ @article{shan_behavior_1991 author = {Changqi Shan and Aiju Wu and Qingwang Chen}, abstract = {Results on diffusivity, solubility coefficient and permeability of tritium through palladium-plated 316L stainless steel are described. An empirical formula for the diffusivity, the solubility coefficient and the permeability of tritium through palladium-plated 316L stainless steel at various temperatures is presented. The influence of tritium pressure on the permeability, and the isotope effect of diffusivity of hydrogen and tritium in 316L stainless steel is discussed.} } + +@article{penzhorn_distribution_2010, + author = {R.-D. Penzhorn and Y. Torikai and S. Naoe and K. Akaishi and A. Perevezentsev and K. Watanabe and M. Matsuyama}, + title = {Distribution and Mobility of Tritium in Type 316 Stainless Steel}, + journal = {Fusion Science and Technology}, + volume = {57}, + number = {3}, + pages = {185-195}, + year = {2010}, + publisher = {Taylor & Francis}, + doi = {10.13182/FST57-3-185}, +} \ No newline at end of file From e0e572c59199caf189b8c5363d275e17cfbbc527 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 11:55:03 -0400 Subject: [PATCH 006/123] float instead of int in T range --- .../property_database/steel_316L/steel_316L.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index ed5b24da..47cd32dc 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -330,7 +330,7 @@ penzhorn_diffusivity_1 = Diffusivity( D_0=1.9e-2 * u.cm**2 * u.s**-1, E_D=61300 * u.J * u.mol**-1, - range=(373, 473) * u.K, + range=(373.0, 473.0) * u.K, isotope="T", source="penzhorn_distribution_2010", note="Section III.B, temperature range is unclear", @@ -339,7 +339,7 @@ penzhorn_diffusivity_2 = Diffusivity( D_0=1.5e-2 * u.cm**2 * u.s**-1, E_D=57300 * u.J * u.mol**-1, - range=(373, 473) * u.K, + range=(373.0, 473.0) * u.K, isotope="T", source="penzhorn_distribution_2010", note="Section III.C, temperature range is unclear", From b7ce80dc162c07f7624bbe7c46fb45b46de2e7d5 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 12:23:52 -0400 Subject: [PATCH 007/123] added 3 entries from Houben 2019 --- .../steel_316L/steel_316L.py | 32 +++++++++++++++++-- h_transport_materials/references.bib | 17 ++++++++++ 2 files changed, 47 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index d8c2edb3..17fc0329 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -29,13 +29,38 @@ note="this is an average of 5 papers on diffusivity from Reiter compilation review", ) -houben_permeability = Permeability( +houben_permeability_2022 = Permeability( pre_exp=8e-7 * u.mol * u.m**-1 * u.s**-1 * u.mbar**-0.5, act_energy=58 * u.kJ * u.mol**-1, source="houben_comparison_2022", isotope="D", ) +houben_diffusivity_2019 = Diffusivity( + D_0=6e-7 * u.m**2 * u.s**-1, + E_D=51 * u.kJ * u.mol**-1, + range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + isotope="d", + source="houben_comparison_2019", +) + +houben_permeability_2019 = Permeability( + pre_exp=8e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, + act_energy=58 * u.kJ * u.mol**-1, + range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + isotope="d", + source="houben_comparison_2019", +) + +houben_solubility_2019 = Solubility( + S_0=1 * u.mol * u.m**-3 * u.mbar**-0.5, + E_S=7 * u.kJ * u.mol**-1, + range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + isotope="d", + source="houben_comparison_2019", +) + + kishimoto_permeability = Permeability( pre_exp=7.1e3 * u.ccNTP * u.mm * u.cm**-2 * u.h**-1 * u.MPa**-0.5, act_energy=0.69 * u.eV * u.particle**-1, @@ -215,7 +240,10 @@ properties = [ reiter_diffusivity, reiter_solubility, - houben_permeability, + houben_permeability_2022, + houben_diffusivity_2019, + houben_solubility_2019, + houben_permeability_2019, kishimoto_permeability, kishimoto_diffusivity, kishimoto_solubility, diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 462c4a87..bd7c818a 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2411,3 +2411,20 @@ @article{ashdown_alloy_1980 year = {1980}, month = {6} } + +@article{houben_comparison_2019, + title = {Comparison of the hydrogen permeation through fusion relevant steels and the influence of oxidized and rough surfaces}, + volume = {19}, + issn = {2352-1791}, + url = {https://www.sciencedirect.com/science/article/pii/S2352179118301832}, + doi = {10.1016/j.nme.2019.01.030}, + abstract = {The development and application of tritium permeation barriers (TPB) are crucial for safe and economical fusion reactor operation. In order to specify the requirements and important characteristics of TPB, the deuterium permeation flux through two different fusion relevant steels, namely Eurofer97 and 316L(N)-IG, were measured and compared. Furthermore, the influence of oxidized and rough surfaces on the deuterium permeation flux was investigated. With this study, the influence of technical or plasma roughened surfaces on the permeation behavior can be estimated.}, + language = {en}, + urldate = {2023-08-11}, + journal = {Nuclear Materials and Energy}, + author = {Houben, A. and Engels, J. and Rasiński, M. and Linsmeier, Ch.}, + month = may, + year = {2019}, + keywords = {316L(N)-IG, Deuterium permeation, Eurofer97, Surface oxidation, Surface roughness}, + pages = {55--58}, +} From 86fe636cec3dc961600feccbfe723bfe16465a21 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 12:26:29 -0400 Subject: [PATCH 008/123] added entries for eurofer97 --- .../eurofer_97/eurofer_97.py | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) diff --git a/h_transport_materials/property_database/eurofer_97/eurofer_97.py b/h_transport_materials/property_database/eurofer_97/eurofer_97.py index c90ebfe4..292adf29 100644 --- a/h_transport_materials/property_database/eurofer_97/eurofer_97.py +++ b/h_transport_materials/property_database/eurofer_97/eurofer_97.py @@ -153,6 +153,23 @@ isotope="H", ) +houben_permeability = Permeability( + pre_exp=5.7e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, + act_energy=41.6 * u.kJ * u.mol**-1, + range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + isotope="d", + source="houben_comparison_2019", +) + +houben_permeability_oxidised = Permeability( + pre_exp=5.0e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, + act_energy=46 * u.kJ * u.mol**-1, + range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + isotope="d", + source="houben_comparison_2019", + note="oxidised", +) + properties = [ aiello_permeability_H, aiello_permeability_D, @@ -167,6 +184,8 @@ montupet_leblond_permeability, montupet_leblond_diffusivity, montupet_leblond_solubility, + houben_permeability, + houben_permeability_oxidised, ] for prop in properties: From 8844d13b1f73d3a4e79eef13cac0cbcfc1b6a0f0 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 11 Aug 2023 12:27:48 -0400 Subject: [PATCH 009/123] added rough 316L --- .../property_database/steel_316L/steel_316L.py | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index 17fc0329..d1584762 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -52,6 +52,15 @@ source="houben_comparison_2019", ) +houben_permeability_2019_rough = Permeability( + pre_exp=7e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, + act_energy=63 * u.kJ * u.mol**-1, + range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + isotope="d", + source="houben_comparison_2019", + note="rough", +) + houben_solubility_2019 = Solubility( S_0=1 * u.mol * u.m**-3 * u.mbar**-0.5, E_S=7 * u.kJ * u.mol**-1, @@ -244,6 +253,7 @@ houben_diffusivity_2019, houben_solubility_2019, houben_permeability_2019, + houben_permeability_2019_rough, kishimoto_permeability, kishimoto_diffusivity, kishimoto_solubility, From 0dca6a1c3a43c919ee0eee526a29a51d50ad36e7 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 12:14:44 -0400 Subject: [PATCH 010/123] added test to check all properties have a range --- tests/test_system.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/tests/test_system.py b/tests/test_system.py index 2921526f..c93545e0 100644 --- a/tests/test_system.py +++ b/tests/test_system.py @@ -54,3 +54,8 @@ def test_all_diffusivities_have_reasonable_pre_exp(): for prop in htm.diffusivities: print(prop) assert abs(prop.pre_exp) < 100 * htm.ureg.m**2 * htm.ureg.s**-1 + + +def test_all_props_have_range(): + for prop in htm.database: + assert prop.range is not None From 32bb6ff54ee45699ec9ddc1515a7d31a7a0a3f08 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 12:18:43 -0400 Subject: [PATCH 011/123] removed wrong property Anderl --- h_transport_materials/property_database/cucrzr/cucrzr.py | 7 ------- 1 file changed, 7 deletions(-) diff --git a/h_transport_materials/property_database/cucrzr/cucrzr.py b/h_transport_materials/property_database/cucrzr/cucrzr.py index 04b34fd4..c533b990 100644 --- a/h_transport_materials/property_database/cucrzr/cucrzr.py +++ b/h_transport_materials/property_database/cucrzr/cucrzr.py @@ -8,13 +8,6 @@ u = htm.ureg -anderl_recombination = Diffusivity( - D_0=2.9e-14 * u.m**2 * u.s**-1, - E_D=1.92 * u.eV * u.particle**-1, - source="anderl_deuterium_1999", - isotope="D", -) - # diffusivity data_diffusivity_serra = htm.structure_data_from_wpd("serra_diffusivity_1998.csv") From 5a4de50e985af9d2f88d3430256b2d26e331df84 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 12:41:25 -0400 Subject: [PATCH 012/123] added anderl recombination range --- h_transport_materials/property_database/cucrzr/cucrzr.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/cucrzr/cucrzr.py b/h_transport_materials/property_database/cucrzr/cucrzr.py index c533b990..208d8ea1 100644 --- a/h_transport_materials/property_database/cucrzr/cucrzr.py +++ b/h_transport_materials/property_database/cucrzr/cucrzr.py @@ -107,6 +107,7 @@ anderl_recombination = RecombinationCoeff( pre_exp=2.9e-14 * u.meter**4 * u.second**-1 * u.particle**-1, act_energy=1.92 * u.eV * u.particle**-1, + range=(700.0 * u.K, 800.0 * u.K), isotope="D", source="anderl_deuterium_1999", ) From 0c67ae9993946a46473c8466cca2df709185b229 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 12:41:36 -0400 Subject: [PATCH 013/123] added Houben permeability range --- h_transport_materials/property_database/cucrzr/cucrzr.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/cucrzr/cucrzr.py b/h_transport_materials/property_database/cucrzr/cucrzr.py index 208d8ea1..4ab2643d 100644 --- a/h_transport_materials/property_database/cucrzr/cucrzr.py +++ b/h_transport_materials/property_database/cucrzr/cucrzr.py @@ -116,6 +116,7 @@ houben_permeability = Permeability( pre_exp=6e-6 * u.mol * u.m**-1 * u.s**-1 * u.mbar**-0.5, act_energy=79 * u.kJ * u.mol**-1, + range=(u.Quantity(300, u.degC), u.Quantity(550, u.degC)), source="houben_comparison_2022", isotope="D", ) From 344afc31f75aafeba0ee82d0ed788ffd9b1a5c6b Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 12:43:24 -0400 Subject: [PATCH 014/123] added range to anderl recombination copper --- h_transport_materials/property_database/copper/copper.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/copper/copper.py b/h_transport_materials/property_database/copper/copper.py index e3281f38..f461b424 100644 --- a/h_transport_materials/property_database/copper/copper.py +++ b/h_transport_materials/property_database/copper/copper.py @@ -233,6 +233,7 @@ anderl_recombination = RecombinationCoeff( pre_exp=9.1e-18 * u.m**4 * u.s**-1 * u.particle**-1, act_energy=0.99 * u.eV * u.particle**-1, + range=(700.0 * u.K, 800.0 * u.K), isotope="D", source="anderl_deuterium_1999", ) From b10ca3d0ef61bbe0a572ca0e9dcdbee425999157 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 12:43:32 -0400 Subject: [PATCH 015/123] print property in test --- tests/test_system.py | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/test_system.py b/tests/test_system.py index c93545e0..38d4ab30 100644 --- a/tests/test_system.py +++ b/tests/test_system.py @@ -58,4 +58,5 @@ def test_all_diffusivities_have_reasonable_pre_exp(): def test_all_props_have_range(): for prop in htm.database: + print(prop) assert prop.range is not None From 7ec68aad062a98adc54688178db8b82e7f9df4a3 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 12:44:52 -0400 Subject: [PATCH 016/123] houben range --- h_transport_materials/property_database/copper/copper.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/copper/copper.py b/h_transport_materials/property_database/copper/copper.py index f461b424..c9775e27 100644 --- a/h_transport_materials/property_database/copper/copper.py +++ b/h_transport_materials/property_database/copper/copper.py @@ -243,6 +243,7 @@ pre_exp=3e-6 * u.mol * u.m**-1 * u.s**-1 * u.mbar**-0.5, act_energy=77 * u.kJ * u.mol**-1, source="houben_comparison_2022", + range=(u.Quantity(300, u.degC), u.Quantity(550, u.degC)), isotope="D", ) From bd5bd845f47e790460de99513d7d9565609a8f2c Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 13:18:14 -0400 Subject: [PATCH 017/123] added correct units for Hsu Zirc --- .../property_database/zirconium/zirconium.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/zirconium/zirconium.py b/h_transport_materials/property_database/zirconium/zirconium.py index e0d3f1ee..bfb84ce9 100644 --- a/h_transport_materials/property_database/zirconium/zirconium.py +++ b/h_transport_materials/property_database/zirconium/zirconium.py @@ -14,11 +14,13 @@ source="kearns_diffusion_1972", ) +# TODO: should we remove this property? hsu_diffusivity = Diffusivity( D_0=2.7e-8 * u.m**2 * u.s**-1, - E_D=24.9 * u.kJ * u.mol**-1, + E_D=5940 * u.cal * u.mol**-1, isotope="T", source="hsu_palladium-catalyzed_1986", + note="this is from a review paper, cannot find original data in ref [12, 13]. Ref 12 doesn't mention Zr.", ) kearns_solubility = Solubility( From 8d62bfebbba9ff7d3ad0663515cf026866b039af Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 13:19:23 -0400 Subject: [PATCH 018/123] removed hsu property altogether --- .../property_database/zirconium/zirconium.py | 10 ---------- 1 file changed, 10 deletions(-) diff --git a/h_transport_materials/property_database/zirconium/zirconium.py b/h_transport_materials/property_database/zirconium/zirconium.py index bfb84ce9..976472c8 100644 --- a/h_transport_materials/property_database/zirconium/zirconium.py +++ b/h_transport_materials/property_database/zirconium/zirconium.py @@ -14,15 +14,6 @@ source="kearns_diffusion_1972", ) -# TODO: should we remove this property? -hsu_diffusivity = Diffusivity( - D_0=2.7e-8 * u.m**2 * u.s**-1, - E_D=5940 * u.cal * u.mol**-1, - isotope="T", - source="hsu_palladium-catalyzed_1986", - note="this is from a review paper, cannot find original data in ref [12, 13]. Ref 12 doesn't mention Zr.", -) - kearns_solubility = Solubility( S_0=4.30e-1 * u.mol * u.m**-3 * u.Pa**-0.5, E_S=-49.5 * u.kJ * u.mol**-1, @@ -51,7 +42,6 @@ properties = [ kearns_diffusivity, - hsu_diffusivity, kearns_solubility, yamanaka_solubility, ] From 3049f0d418f345fd902f849a5c7fa45f6658d0ad Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 13:38:32 -0400 Subject: [PATCH 019/123] added range and note to Dolan recombination Be --- h_transport_materials/property_database/beryllium.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/h_transport_materials/property_database/beryllium.py b/h_transport_materials/property_database/beryllium.py index e5762952..754a8498 100644 --- a/h_transport_materials/property_database/beryllium.py +++ b/h_transport_materials/property_database/beryllium.py @@ -37,8 +37,10 @@ dolan_recombination = RecombinationCoeff( pre_exp=1.46e-29 * u.m**4 * u.s**-1 * u.particle**-1, act_energy=0.214 * u.eV * u.particle**-1, + range=(333 * u.K, 800 * u.K), source="dolan_assessment_1994", isotope="H", + note="Comes from a review (p. 14). The data from Hsu 1990 https://doi.org/10.1016/0022-3115(90)90049-S (range taking from them) seems to have been used by the PERI code to extract D/2kr then using D from another source Dolan obtained Kr.", ) From e98dd6e946e2157b949a48bec20cb2508f388e16 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 13:40:33 -0400 Subject: [PATCH 020/123] range for Atsumi carbon solubility --- h_transport_materials/property_database/carbon.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/h_transport_materials/property_database/carbon.py b/h_transport_materials/property_database/carbon.py index 3b303764..23a7d489 100644 --- a/h_transport_materials/property_database/carbon.py +++ b/h_transport_materials/property_database/carbon.py @@ -26,6 +26,10 @@ atsumi_solubility = Solubility( S_0=1.9e-1 * u.mol * u.m**-3 * u.Pa**-0.5, E_S=-19.2 * u.kJ * u.mol**-1, + range=( + u.Quantity(850, u.degC), + u.Quantity(1050, u.degC), + ), source="atsumi_absorption_1988", isotope="H", ) From f4ce3297527e3e71c475b97d6d7d15e64c61c6eb Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 13:41:42 -0400 Subject: [PATCH 021/123] range for katsuta solubility --- h_transport_materials/property_database/molybdenum.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index c6ef11b9..0a18c067 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -32,6 +32,7 @@ S_0=np.exp(8.703) * u.mol * u.m**-3 * u.Pa**-0.5, E_S=7.863e3 * u.K * htm.k_B, isotope="H", + range=(833 * u.K, 1193 * u.K), source="katsuta_diffusivity_1982", ) From c27bf08de5b123e0563a36d0a43410b7100fcebc Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 13:52:52 -0400 Subject: [PATCH 022/123] added url for Schober 1990 --- h_transport_materials/references.bib | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 462c4a87..f1cf7e38 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -1377,6 +1377,7 @@ @techreport{schober_h_1990 a discussion of localized vibrations, hydride morphologies, permeation, resistivity and property changes (orig)}, author = {Schober, T.}, + url = {https://juser.fz-juelich.de/record/847904/files/J%C3%BCl_2347_Schober.pdf}, year = {1990}, note = {Juel--2347 INIS Reference Number: 21066754}, From 25e52f0e487b74e0c182e25593f2997911d95891 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 14:06:41 -0400 Subject: [PATCH 023/123] better citation for Schober + added range + fixed isotope --- .../property_database/niobium.py | 15 ++++++---- .../property_database/vanadium.py | 7 ++--- h_transport_materials/references.bib | 30 ++++++++----------- 3 files changed, 26 insertions(+), 26 deletions(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index 6c232f51..ece0aea9 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -13,11 +13,16 @@ isotope="H", ) -schober_diffusivity = Diffusivity( +# TODO issue #64 +qi_diffusivity = Diffusivity( D_0=4.4e-8 * u.m**2 * u.s**-1, - E_D=12.8 * u.kJ * u.mol**-1, - source="schober_h_1990", - isotope="H", + E_D=0.133 * u.eV * u.particle**-1, + range=( + u.Quantity(-140, u.degC), + u.Quantity(100, u.degC), + ), + source="qi_tritium_1983", + isotope="T", ) veleckis_solubility = Solubility( @@ -37,7 +42,7 @@ properties = [ volkl_diffusivity, - schober_diffusivity, + qi_diffusivity, veleckis_solubility, reiter_solubility, ] diff --git a/h_transport_materials/property_database/vanadium.py b/h_transport_materials/property_database/vanadium.py index 38baa7ab..d66bc37c 100644 --- a/h_transport_materials/property_database/vanadium.py +++ b/h_transport_materials/property_database/vanadium.py @@ -21,16 +21,15 @@ source="veleckis_thermodynamic_1969", ) -schober_diffusivity = Diffusivity( +qi_diffusivity = Diffusivity( D_0=5.6e-8 * u.m**2 * u.s**-1, E_D=9.1 * u.kJ * u.mol**-1, range=( u.Quantity(-150, u.degC), u.Quantity(200, u.degC), ), - source="schober_h_1990", + source="qi_tritium_1983", isotope="H", - note="found in Assessment of Database for Interaction of Tritium with ITER Plasma Facing Materials", ) # TODO get data from experimental points, see issue #64 reiter_solubility = Solubility( @@ -54,7 +53,7 @@ properties = [ volk_diffusivity, veleckis_solubility, - schober_diffusivity, + qi_diffusivity, reiter_solubility, malo_permeability, ] diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index f1cf7e38..890d2f4f 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -1365,23 +1365,19 @@ @article{kearns_terminal_1967 file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\GCQWLADW\\Kearns - 1967 - Terminal solubility and partitioning of hydrogen i.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7PDWTV5V\\0022311567900475.html:text/html}, } -@techreport{schober_h_1990, - address = {Germany}, - title = {H and {D} in niobium, tantalum and vanadium}, - abstract = {After a general introduction the hydride and deuteride phases of Nb, Ta and V are -discussed Recent phase diagrams of the systems Nb-H(D), Ta-H(D), and V-H(D) are presented -The key diffusivities of H and D in the above metals are also covered The basic thermodynamic -relations required for an understanding of p-c-T data are given Sieverts and various -p-c-T curves pertaining to H and D in Nb, Ta and V are presented Selected thermodynamic -quantities and heats of phase transformations are included Further topics include -a discussion of localized vibrations, hydride morphologies, permeation, resistivity -and property changes (orig)}, - author = {Schober, T.}, - url = {https://juser.fz-juelich.de/record/847904/files/J%C3%BCl_2347_Schober.pdf}, - year = {1990}, - note = {Juel--2347 -INIS Reference Number: 21066754}, - pages = {114}, +@article{qi_tritium_1983, + doi = {10.1088/0305-4608/13/10/015}, + url = {https://dx.doi.org/10.1088/0305-4608/13/10/015}, + year = {1983}, + month = {oct}, + publisher = {}, + volume = {13}, + number = {10}, + pages = {2053}, + author = {Zh Qi and J Volkl and R Lasser and H Wenzl}, + title = {Tritium diffusion in V, Nb and Ta}, + journal = {Journal of Physics F: Metal Physics}, + abstract = {Gorsky-effect measurements of the diffusion coefficient of tritium (T) in V, Nb and Ta are reported. The measurements were performed at small T concentrations (less than about 1.4 at.%), and in the temperature range from -140 degrees C to 100 degrees C. Comparison with results obtained for H and D shows an increase of the activation energy with increasing isotopic mass. For Nb and Ta, the pre-exponential factors are identical for all the isotopes, whereas for V this factor is appreciably larger for T and for H and D. The reduction of the relaxation strength in the presence of precipitation allows a rough determination of the solubility limit, which is found to be isotope independent for Nb and Ta. In V, the solubility limit for T is shifted slightly to lower temperatures. The H, D or T induced lattice expansion calculated from the relaxation strength shows no dependence on isotopic mass.} } @article{louthan_hydrogen_1975, From dd90ce299d248f10b768714527c95256f7cc5c44 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 16:51:16 -0400 Subject: [PATCH 024/123] url to reiter compilation --- h_transport_materials/references.bib | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 890d2f4f..26317628 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -1622,6 +1622,7 @@ @book{reiter_compilation_1996 publisher = {Publications Office of the European Union}, author = {Reiter, F. and Forcey, K. S. and Gervasini, G.}, month = jul, + url = {https://op.europa.eu/en/publication-detail/-/publication/60f147a2-fdc8-49c8-8a87-7af6f09b0a61}, year = {1996}, file = {Union - 1996 - A compilation of tritium Material interaction pa.pdf:C\:\\Users\\remidm\\Zotero\\storage\\B3DLFNWI\\Union - 1996 - A compilation of tritium Material interaction pa.pdf:application/pdf}, } From 7df86d7e940d6180dadffceef4abfed43c35baf0 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 16:51:36 -0400 Subject: [PATCH 025/123] removed reiter solubility since can't find the original data --- h_transport_materials/property_database/niobium.py | 8 -------- 1 file changed, 8 deletions(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index ece0aea9..cb639772 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -33,18 +33,10 @@ isotope="H", ) -reiter_solubility = Solubility( - S_0=3.6e-6 / NIOBIUM_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=-33.9 * u.kJ * u.mol**-1, - source="reiter_compilation_1996", - isotope="H", -) - properties = [ volkl_diffusivity, qi_diffusivity, veleckis_solubility, - reiter_solubility, ] for prop in properties: From f4d3697ffddf5a8c3560b22b62cf2383a11ef204 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 17:26:04 -0400 Subject: [PATCH 026/123] T ranges for Heinola and Johnson --- h_transport_materials/property_database/tungsten/tungsten.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 8db0d66e..0d94707c 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -40,14 +40,17 @@ heinola_diffusivity_tungsten = Diffusivity( D_0=5.2e-8 * u.m**2 * u.s**-1, E_D=0.21 * u.eV * u.particle**-1, + range=(300 * u.K, 1200 * u.K), source=heinola_src, isotope="H", + note="temperature range not given by author. DFT", ) johnson_src = "johnson_hydrogen_2010" johnson_diffusivity_tungsten_h = Diffusivity( D_0=6.32e-7 * u.m**2 * u.s**-1, E_D=0.39 * u.eV * u.particle**-1, + range=(500 * u.K, 1450 * u.K), source=johnson_src, isotope="H", ) @@ -55,6 +58,7 @@ johnson_diffusivity_tungsten_t = Diffusivity( D_0=5.16e-7 * u.m**2 * u.s**-1, E_D=0.40 * u.eV * u.particle**-1, + range=(500 * u.K, 1450 * u.K), source=johnson_src, isotope="T", ) From a4aa8e4890795afa83469b62dda586a1a18441ee Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 17:28:41 -0400 Subject: [PATCH 027/123] added range for Anderl --- h_transport_materials/property_database/tungsten/tungsten.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 0d94707c..0feaefe7 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -170,6 +170,7 @@ anderl_recomb = RecombinationCoeff( pre_exp=3.2e-15 * u.m**4 * u.s**-1 * u.particle**-1, act_energy=1.16 * u.eV * u.particle**-1, + range=(610 * u.K, 823 * u.K), isotope="D", source="anderl_deuterium_1992", ) From b1b83dd0b6868b5da83d5b8e293e99eaf9ce29b2 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 17:38:35 -0400 Subject: [PATCH 028/123] removed reiter for it's a review of a review --- h_transport_materials/property_database/vanadium.py | 8 -------- 1 file changed, 8 deletions(-) diff --git a/h_transport_materials/property_database/vanadium.py b/h_transport_materials/property_database/vanadium.py index d66bc37c..8b878ecf 100644 --- a/h_transport_materials/property_database/vanadium.py +++ b/h_transport_materials/property_database/vanadium.py @@ -32,13 +32,6 @@ isotope="H", ) # TODO get data from experimental points, see issue #64 -reiter_solubility = Solubility( - S_0=2.1e-6 / VANADIUM_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=-32.2 * u.kJ * u.mol**-1, - source="reiter_compilation_1996", - isotope="H", -) - malo_permeability = Permeability( pre_exp=1.27e-04 * u.mol * u.m**-1 * u.s**-1 * u.Pa**-0.5, act_energy=8667 * u.K * htm.k_B, @@ -54,7 +47,6 @@ volk_diffusivity, veleckis_solubility, qi_diffusivity, - reiter_solubility, malo_permeability, ] From d35883ed014bd0f7500437830f1fd4dd7357c4d0 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 17:42:12 -0400 Subject: [PATCH 029/123] added houben T range --- .../property_database/steel_316L/steel_316L.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index d8c2edb3..cff1be7e 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -32,6 +32,10 @@ houben_permeability = Permeability( pre_exp=8e-7 * u.mol * u.m**-1 * u.s**-1 * u.mbar**-0.5, act_energy=58 * u.kJ * u.mol**-1, + range=( + u.Quantity(300, u.degC), + u.Quantity(550, u.degC), + ), source="houben_comparison_2022", isotope="D", ) From 4e52343837acd6355930b8d902d884f7e5f120b5 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 18:28:11 -0400 Subject: [PATCH 030/123] added range + comments --- .../property_database/ss_304/ss_304.py | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/h_transport_materials/property_database/ss_304/ss_304.py b/h_transport_materials/property_database/ss_304/ss_304.py index 0dcea931..cb9a6592 100644 --- a/h_transport_materials/property_database/ss_304/ss_304.py +++ b/h_transport_materials/property_database/ss_304/ss_304.py @@ -100,17 +100,18 @@ range=(u.Quantity(100, u.degC), u.Quantity(600, u.degC)), isotope="D", source="braun_determination_1980", - note="Braun doesn't plot the permeability and assumes a solubility from N.L. Hawkins, Report KAPL 863 (1953)", + note="Braun doesn't plot the permeability and assumes a solubility from N.L. Hawkins, Report KAPL 863 (1953). However we can't find this report.", ) hawkins_solubility = Solubility( S_0=2.2e19 * u.particle * u.cm**-3 * u.bar**-0.5, E_S=1700 * u.J * u.mol**-1, + range=(u.Quantity(300, u.degC), u.Quantity(800, u.degC)), source="N.L. Hawkins, Report KAPL 863 (1953)", author="N.L. Hawkins", isotope="H", year=1953, - note="Found in Braun 1980 paper but couldn't find the original reference", + note="Found in Braun 1980 braun_determination_1980 paper but couldn't find the original reference. Range is assumed from https://doi.org/10.2172/4414215", ) braun_permeability = Permeability( @@ -131,6 +132,7 @@ source="braun_determination_1980", ) +# @FuerstT: I'm having a hard time finding the original ref for Hawkins solubility. This differs from your review. Any thoughts? braun_dissociation_coeff = DissociationCoeff( pre_exp=braun_recombination_coeff.pre_exp * hawkins_solubility.pre_exp**2, act_energy=braun_recombination_coeff.act_energy + 2 * hawkins_solubility.act_energy, @@ -145,8 +147,8 @@ delimiter=",", ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-0.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", From 0af242b4fa992b67c97cc17367f3bb1b165d3ab1 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 19:08:44 -0400 Subject: [PATCH 031/123] schmidt range --- h_transport_materials/property_database/incoloy_800.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/incoloy_800.py b/h_transport_materials/property_database/incoloy_800.py index 190f860c..daba1505 100644 --- a/h_transport_materials/property_database/incoloy_800.py +++ b/h_transport_materials/property_database/incoloy_800.py @@ -25,6 +25,7 @@ act_energy=56.6 * u.kJ * u.mol**-1, isotope="H", source="schmidt_studies_1985", + range=(1023 * u.K, 1223 * u.K), note="sample No. 1.2 Material 1.4876 (second line of Table 2 in Schmidt's paper)" + "in Shimada 2020 review, the S_0 factor is wrong", ) From 36104d5f231fb4bbdde96944c00ee26efd5a2283 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 19:16:40 -0400 Subject: [PATCH 032/123] added notes to Fukada and Zeng #219 --- h_transport_materials/property_database/flinak/flinak.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/h_transport_materials/property_database/flinak/flinak.py b/h_transport_materials/property_database/flinak/flinak.py index 67f60860..9c55c733 100644 --- a/h_transport_materials/property_database/flinak/flinak.py +++ b/h_transport_materials/property_database/flinak/flinak.py @@ -15,6 +15,7 @@ data_y=data_fukada[:-1, 1] * u.m**2 * u.s**-1, source="fukada_hydrogen_2006", isotope="H", + note="in original paper, the equation displayed on Fig 5 doesn't match the plotted line.", ) @@ -105,6 +106,7 @@ data_y=data_zeng[:, 1] * u.m**2 * u.s**-1, source="zeng_behavior_2019", isotope="H", + note="in original paper, the legend of Fig 5 is mixed up: red points correspond to Fukada and Morisaki.", ) data_zeng_S = np.genfromtxt( From 8c3558f100de4a87c7f9aab301057227290ad870 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 14 Aug 2023 20:23:17 -0400 Subject: [PATCH 033/123] added warning filter --- h_transport_materials/properties_group.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/h_transport_materials/properties_group.py b/h_transport_materials/properties_group.py index 590fe85a..7a81f9cb 100644 --- a/h_transport_materials/properties_group.py +++ b/h_transport_materials/properties_group.py @@ -6,6 +6,8 @@ from h_transport_materials import ureg, ArrheniusProperty, __version__ +warnings.filterwarnings("always", message="No property matching the requirements") + class PropertiesGroup(list): @property From 1a7ed4ba049ada8d1d5b1efbaa0bf6806e9ea479 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 15 Aug 2023 09:07:46 -0400 Subject: [PATCH 034/123] used 316L density and molar mass + fixed calculation --- .../property_database/steel_316L/steel_316L.py | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index 47cd32dc..38f38674 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -6,11 +6,17 @@ DissociationCoeff, RecombinationCoeff, ) -from h_transport_materials.property_database.iron import IRON_MOLAR_VOLUME import numpy as np u = htm.ureg +STEEL_316L_DENSITY = ( + 8.0 * u.g * u.cm**-3 +) # ref https://doi.org/10.31399/asm.hb.mhde2.9781627081993 +STEEL_316L_MOLAR_MASS = 56.52 * u.g * u.mol**-1 # TODO compute it from composition +STEEL_316L_MOLAR_VOLUME = STEEL_316L_DENSITY / STEEL_316L_MOLAR_MASS + + reiter_diffusivity = Diffusivity( D_0=3.70e-7 * u.m**2 * u.s**-1, E_D=51.9 * u.kJ * u.mol**-1, @@ -21,7 +27,7 @@ ) reiter_solubility = Solubility( - S_0=5.8e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, + S_0=5.8e-6 * u.Pa**-0.5 * STEEL_316L_MOLAR_VOLUME, E_S=13.1 * u.kJ * u.mol**-1, range=(500 * u.K, 1200 * u.K), isotope="H", @@ -31,7 +37,7 @@ # TODO fit this ourselves reiter_1985_solubility_h = Solubility( - S_0=1.84e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, + S_0=1.84e-6 * u.Pa**-0.5 * STEEL_316L_MOLAR_VOLUME, E_S=6880 * u.J * u.mol**-1, range=(600 * u.K, 900 * u.K), isotope="h", @@ -40,7 +46,7 @@ ) reiter_1985_solubility_d = Solubility( - S_0=1.96e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, + S_0=1.96e-6 * u.Pa**-0.5 * STEEL_316L_MOLAR_VOLUME, E_S=8090 * u.J * u.mol**-1, range=(600 * u.K, 900 * u.K), isotope="d", From fd96c25aa00929c8f80a1300ccc30c12bdca4c0c Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 15 Aug 2023 09:07:55 -0400 Subject: [PATCH 035/123] added FIXME --- h_transport_materials/property_database/iron.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/iron.py b/h_transport_materials/property_database/iron.py index 02aef03f..f8db9e63 100644 --- a/h_transport_materials/property_database/iron.py +++ b/h_transport_materials/property_database/iron.py @@ -36,6 +36,7 @@ source="tahara_measurements_1985", ) +# FIXME there is something wrong in the calculation here eichenauer_solubility = Solubility( S_0=4.90e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, E_S=24.3 * u.kJ * u.mol**-1, From 2fc77dfc68a5e89bc1af1cf0a6d3fd80261cb863 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 15 Aug 2023 09:39:24 -0400 Subject: [PATCH 036/123] nothing wrong... --- h_transport_materials/property_database/iron.py | 1 - 1 file changed, 1 deletion(-) diff --git a/h_transport_materials/property_database/iron.py b/h_transport_materials/property_database/iron.py index f8db9e63..02aef03f 100644 --- a/h_transport_materials/property_database/iron.py +++ b/h_transport_materials/property_database/iron.py @@ -36,7 +36,6 @@ source="tahara_measurements_1985", ) -# FIXME there is something wrong in the calculation here eichenauer_solubility = Solubility( S_0=4.90e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, E_S=24.3 * u.kJ * u.mol**-1, From 002a3cfe23c7d5dda2b62fc171e9fa8ddddc9a52 Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Tue, 15 Aug 2023 09:41:11 -0600 Subject: [PATCH 037/123] Add tzm to htm --- h_transport_materials/material.py | 2 ++ .../property_database/__init__.py | 2 ++ .../property_database/tzm/__init__.py | 1 + .../property_database/tzm/forcey_TZM_1993.csv | 10 ++++++ .../property_database/tzm/forcey_TZM_1993.tar | Bin 0 -> 122880 bytes .../property_database/tzm/tzm.py | 29 ++++++++++++++++++ h_transport_materials/references.bib | 14 +++++++++ 7 files changed, 58 insertions(+) create mode 100644 h_transport_materials/property_database/tzm/__init__.py create mode 100644 h_transport_materials/property_database/tzm/forcey_TZM_1993.csv create mode 100644 h_transport_materials/property_database/tzm/forcey_TZM_1993.tar create mode 100644 h_transport_materials/property_database/tzm/tzm.py diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index 32847908..5aa02451 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -157,3 +157,5 @@ class FeCrAl(Steel): THERMACORE_OXIDIZED = FeCrAl("thermacore_oxidized") FE22CR5AL = FeCrAl("fe22cr5al") OXIDIZED_1605 = FeCrAl("oxidized_1605") + +TZM = Alloy("tzm") \ No newline at end of file diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index b08bbe36..0baeae33 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -64,3 +64,5 @@ from . import vanadium_alloy from . import FeCrAl + +from . import tzm diff --git a/h_transport_materials/property_database/tzm/__init__.py b/h_transport_materials/property_database/tzm/__init__.py new file mode 100644 index 00000000..9d96271b --- /dev/null +++ b/h_transport_materials/property_database/tzm/__init__.py @@ -0,0 +1 @@ +from . import tzm \ No newline at end of file diff --git a/h_transport_materials/property_database/tzm/forcey_TZM_1993.csv b/h_transport_materials/property_database/tzm/forcey_TZM_1993.csv new file mode 100644 index 00000000..81da1bd4 --- /dev/null +++ b/h_transport_materials/property_database/tzm/forcey_TZM_1993.csv @@ -0,0 +1,10 @@ +1.9411764705882353, 1.5532482604935665e-15 +1.9419607843137254, 2.218121857753988e-15 +1.7796078431372548, 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a/h_transport_materials/property_database/eurofer_97/eurofer_97.py b/h_transport_materials/property_database/eurofer_97/eurofer_97.py index 292adf29..4526f0d5 100644 --- a/h_transport_materials/property_database/eurofer_97/eurofer_97.py +++ b/h_transport_materials/property_database/eurofer_97/eurofer_97.py @@ -156,7 +156,7 @@ houben_permeability = Permeability( pre_exp=5.7e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, act_energy=41.6 * u.kJ * u.mol**-1, - range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + range=(u.Quantity(300, u.degC), u.Quantity(550, u.degC)), isotope="d", source="houben_comparison_2019", ) @@ -164,7 +164,7 @@ houben_permeability_oxidised = Permeability( pre_exp=5.0e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, act_energy=46 * u.kJ * u.mol**-1, - range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + range=(u.Quantity(300, u.degC), u.Quantity(600, u.degC)), isotope="d", source="houben_comparison_2019", note="oxidised", diff --git a/h_transport_materials/property_database/steel_316L/steel_316L.py b/h_transport_materials/property_database/steel_316L/steel_316L.py index e2bb9a17..442de36b 100644 --- a/h_transport_materials/property_database/steel_316L/steel_316L.py +++ b/h_transport_materials/property_database/steel_316L/steel_316L.py @@ -155,7 +155,7 @@ houben_permeability_2019 = Permeability( pre_exp=8e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, act_energy=58 * u.kJ * u.mol**-1, - range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + range=(u.Quantity(300, u.degC), u.Quantity(550, u.degC)), isotope="d", source="houben_comparison_2019", ) @@ -163,7 +163,7 @@ houben_permeability_2019_rough = Permeability( pre_exp=7e-7 * u.mol * u.m**-1 * u.ms**-1 * u.mbar**-0.5, act_energy=63 * u.kJ * u.mol**-1, - range=(u.Quantity(400, u.degC), u.Quantity(500, u.degC)), + range=(u.Quantity(300, u.degC), u.Quantity(550, u.degC)), isotope="d", source="houben_comparison_2019", note="rough", From 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mode 100644 index 00000000..447f58af --- /dev/null +++ b/h_transport_materials/property_database/tungsten/buchenauer_2016/data.csv @@ -0,0 +1,22 @@ +foil,,ITER grade,,UFG, +X,Y,X,Y,X,Y +0.7850678733031674,2.9836472402833464e-9,0.787228848821082,4.47183156237293e-9,0.7842857142857144,5.0469651168844165e-9 +0.7873303167420814,2.364489412645407e-9,0.7871733703190017,3.576004513317607e-9,0.7857142857142858,5.643066283354803e-9 +0.8167420814479638,2.104904144512022e-9,0.8191123439667131,2.7964170522600126e-9,0.8514285714285715,2.7312637228008525e-9 +0.8167420814479638,1.8025704857129353e-9,0.8202274618585298,2.5006807584394466e-9,0.8528571428571429,2.3101297000831677e-9 +0.8506787330316741,1.4849682622544696e-9,0.853253814147018,1.5637767696795445e-9,0.9314285714285715,9.45709116858659e-10 +0.8529411764705883,1.2716778427840875e-9,0.8532260748959778,1.3983988816231286e-9,0.9314285714285715,8.69749002617787e-10 +0.8914027149321266,8.971435783762863e-10,0.8897142857142858,1.000000000000004e-9,1.0285714285714285,3.096770996935361e-10 +0.8868778280542986,7.68284171060383e-10,0.8931428571428573,1.000000000000004e-9,1.0257142857142858,2.848035868435805e-10 +0.9321266968325792,5.634323137373142e-10,0.9329042995839113,3.8240562494177024e-10,1.1442857142857141,8.576958985908981e-11 +0.9276018099547512,5.420092945285339e-10,0.9340138696255204,3.3440429337866087e-10,1.1464285714285716,7.888050765828567e-11 +0.9751131221719456,3.0302710828663933e-10,0.9762274618585299,2.5006807584394467e-10,1.2942857142857143,1.7969891485325993e-11 +0.9728506787330318,2.697593030955549e-10,0.97849653259362,2.338471271155493e-10,1.2957142857142856,1.747528400007683e-11 +1.0248868778280544,1.5677838820970854e-10,1.0285714285714285,1e-10,, +1.0226244343891402,1.4508287784959432e-10,1.0296699029126217,8.362383819915535e-11,, +1.081447963800905,7.220809018385456e-11,1.0832676837725383,5.2293366566664866e-11,, +1.081447963800905,7.220809018385456e-11,1.0855478502080445,5.1137308255404765e-11,, +1.1447963800904977,2.635575251984567e-11,,,, +1.1402714932126696,2.635575251984567e-11,,,, +1.2126696832579185,1.167723626451988e-11,,,, +1.2104072398190044,1.1233240329780266e-11,,,, diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 8db0d66e..57c59f49 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -405,6 +405,37 @@ isotope="H", ) +buchenauer_data = htm.structure_data_from_wpd( + filename=htm.absolute_path("buchenauer_2016/data.csv") +) + +bauchenaeur_permeability_foil = Permeability( + data_T=1000 / (buchenauer_data["foil"]["x"] * u.K**-1), + data_y=buchenauer_data["foil"]["y"] * u.mol * u.m**-1 * u.s**-1 * u.MPa**-0.5, + source="buchenauer_permeation_2016", + isotope="D", +) + +bauchenaeur_permeability_iter_grade = Permeability( + data_T=1000 / (buchenauer_data["ITER grade"]["x"] * u.K**-1), + data_y=buchenauer_data["ITER grade"]["y"] + * u.mol + * u.m**-1 + * u.s**-1 + * u.MPa**-0.5, + source="buchenauer_permeation_2016", + isotope="D", + note="ITER grade Tungsten", +) + +bauchenaeur_permeability_ufg = Permeability( + data_T=1000 / (buchenauer_data["UFG"]["x"] * u.K**-1), + data_y=buchenauer_data["UFG"]["y"] * u.mol * u.m**-1 * u.s**-1 * u.MPa**-0.5, + source="buchenauer_permeation_2016", + isotope="D", + note="Ultra-Fine-Grain (UFG) tungsten", +) + properties = [ frauenfelder_diffusivity, @@ -444,6 +475,9 @@ liu_diffusivity_annealed_102um, liu_diffusivity_annealed_250um, liu_diffusivity_recrystallized_250um, + bauchenaeur_permeability_foil, + bauchenaeur_permeability_iter_grade, + bauchenaeur_permeability_ufg ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 650d8808..5e12ecf3 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2447,4 +2447,19 @@ @article{penzhorn_distribution_2010 year = {2010}, publisher = {Taylor & Francis}, doi = {10.13182/FST57-3-185}, +} + +@article{buchenauer_permeation_2016, + title = {Gas-driven permeation of deuterium through tungsten and tungsten alloys}, + journal = {Fusion Engineering and Design}, + volume = {109-111}, + pages = {104-108}, + year = {2016}, + note = {Proceedings of the 12th International Symposium on Fusion Nuclear Technology-12 (ISFNT-12)}, + issn = {0920-3796}, + doi = {https://doi.org/10.1016/j.fusengdes.2016.03.045}, + url = {https://www.sciencedirect.com/science/article/pii/S0920379616302411}, + author = {Dean A. Buchenauer and Richard A. Karnesky and Zhigang Zak Fang and Chai Ren and Yasuhisa Oya and Teppei Otsuka and Yuji Yamauchi and Josh A. Whaley}, + keywords = {Tungsten, Tungsten alloy, Permeation, Plasma facing component, ITER}, + abstract = {To address the transport and trapping of hydrogen isotopes, several permeation experiments are being pursued at both Sandia National Laboratories (deuterium gas-driven permeation) and Idaho National Laboratories (tritium gas- and plasma-driven tritium permeation). These experiments are in part a collaboration between the US and Japan to study the performance of tungsten at divertor relevant temperatures (PHENIX). Here we report on the development of a high temperature (≤1150°C) gas-driven permeation cell and initial measurements of deuterium permeation in several types of tungsten: high purity tungsten foil, ITER-grade tungsten (grains oriented through the membrane), and dispersoid-strengthened ultra-fine grain (UFG) tungsten being developed in the US. Experiments were performed at 500–1000°C and 0.1–1.0atm D2 pressure. Permeation through ITER-grade tungsten was similar to earlier W experiments by Frauenfelder (1968–69) and Zaharakov (1973). Data from the UFG alloy indicates marginally higher permeability (<10×) at lower temperatures, but the permeability converges to that of the ITER tungsten at 1000°C. The permeation cell uses only ceramic and graphite materials in the hot zone to reduce the possibility for oxidation of the sample membrane. Sealing pressure is applied externally, thereby allowing for elevation of the temperature for brittle membranes above the ductile-to-brittle transition temperature.} } \ No newline at end of file From d8782c7f7ec14a2a96c1e05c771a767b335bf1a8 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 15 Aug 2023 16:27:00 -0400 Subject: [PATCH 040/123] fixed syntax --- .../property_database/tungsten/tungsten.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 57c59f49..ac8cbe0f 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -405,9 +405,7 @@ isotope="H", ) -buchenauer_data = htm.structure_data_from_wpd( - filename=htm.absolute_path("buchenauer_2016/data.csv") -) +buchenauer_data = htm.structure_data_from_wpd("buchenauer_2016/data.csv") bauchenaeur_permeability_foil = Permeability( data_T=1000 / (buchenauer_data["foil"]["x"] * u.K**-1), @@ -477,7 +475,7 @@ liu_diffusivity_recrystallized_250um, bauchenaeur_permeability_foil, bauchenaeur_permeability_iter_grade, - bauchenaeur_permeability_ufg + bauchenaeur_permeability_ufg, ] for prop in properties: From 64db0e2ee7c55e440f383205e7843e0328ef7a5d Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 15 Aug 2023 16:27:56 -0400 Subject: [PATCH 041/123] underscore instead of whitespace --- h_transport_materials/property_database/tungsten/tungsten.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index ac8cbe0f..a31ba9e4 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -415,8 +415,8 @@ ) bauchenaeur_permeability_iter_grade = Permeability( - data_T=1000 / (buchenauer_data["ITER grade"]["x"] * u.K**-1), - data_y=buchenauer_data["ITER grade"]["y"] + data_T=1000 / (buchenauer_data["ITER_grade"]["x"] * u.K**-1), + data_y=buchenauer_data["ITER_grade"]["y"] * u.mol * u.m**-1 * u.s**-1 From 9fc91c7df635c60532760c54880a0b31074c7650 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 15 Aug 2023 16:38:13 -0400 Subject: [PATCH 042/123] joules to calories --- .../property_database/ss_304/ss_304.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/h_transport_materials/property_database/ss_304/ss_304.py b/h_transport_materials/property_database/ss_304/ss_304.py index 0dcea931..20eb05fc 100644 --- a/h_transport_materials/property_database/ss_304/ss_304.py +++ b/h_transport_materials/property_database/ss_304/ss_304.py @@ -96,7 +96,7 @@ # TODO fit this ourselves braun_diffusivity = Diffusivity( D_0=0.18 * u.cm**2 * u.s**-1, - E_D=14800 * u.J * u.mol**-1, + E_D=14800 * u.cal * u.mol**-1, range=(u.Quantity(100, u.degC), u.Quantity(600, u.degC)), isotope="D", source="braun_determination_1980", @@ -105,7 +105,7 @@ hawkins_solubility = Solubility( S_0=2.2e19 * u.particle * u.cm**-3 * u.bar**-0.5, - E_S=1700 * u.J * u.mol**-1, + E_S=1700 * u.cal * u.mol**-1, source="N.L. Hawkins, Report KAPL 863 (1953)", author="N.L. Hawkins", isotope="H", @@ -125,7 +125,7 @@ # TODO fit this ourselves braun_recombination_coeff = RecombinationCoeff( pre_exp=5.4e-19 * u.particle * u.cm**4 * u.particle**-2 * u.s**-1, - act_energy=15600 * u.J * u.mol**-1, + act_energy=15600 * u.cal * u.mol**-1, range=(u.Quantity(150, u.degC), u.Quantity(400, u.degC)), isotope="D", source="braun_determination_1980", @@ -145,8 +145,8 @@ delimiter=",", ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-0.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", From 0f6b1b19e76d6d0b29ee38cd57ac58b47abb496b Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Tue, 15 Aug 2023 15:49:33 -0600 Subject: [PATCH 043/123] add arrhenius properties to tzm --- .../property_database/tzm.py | 97 ++++++++++++++++++ .../property_database/tzm/__init__.py | 1 - .../property_database/tzm/forcey_TZM_1993.csv | 10 -- .../property_database/tzm/forcey_TZM_1993.tar | Bin 122880 -> 0 bytes .../property_database/tzm/tzm.py | 29 ------ h_transport_materials/references.bib | 13 +++ 6 files changed, 110 insertions(+), 40 deletions(-) create mode 100644 h_transport_materials/property_database/tzm.py delete mode 100644 h_transport_materials/property_database/tzm/__init__.py delete mode 100644 h_transport_materials/property_database/tzm/forcey_TZM_1993.csv delete mode 100644 h_transport_materials/property_database/tzm/forcey_TZM_1993.tar delete mode 100644 h_transport_materials/property_database/tzm/tzm.py diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py new file mode 100644 index 00000000..d28c5592 --- /dev/null +++ b/h_transport_materials/property_database/tzm.py @@ -0,0 +1,97 @@ +import h_transport_materials as htm +from h_transport_materials import ( + Permeability, + Diffusivity, + Solubility, +) +import numpy as np + +u = htm.ureg + +forcey_permeability_d = Permeability( + pre_exp=8.32e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=75.5 * u.kJ * u.mol**-1, + range=(515 * u.K, 742 * u.K), + isotope="D", + source="forcey_permeability_1993", + note="Equation 8", +) + +tominetti_permeability_h = Permeability( + pre_exp=3.82e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=72.8 * u.kJ * u.mol**-1, + range=(1000 / 1.5 * u.K, 873 * u.K), + isotope="H", + source="tominetti_permeability_1990", + note="Equation 14", +) + +forcey_diffusivity_d = Diffusivity( + pre_exp=3.18e-4 * u.m**2 * u.s**-1, + act_energy=88.1 * u.kJ * u.mol**-1, + range=(515 * u.K, 742 * u.K), + isotope="D", + source="forcey_permeability_1993", + note="Equation 9", +) + +tominetti_diffusivity_d = Diffusivity( + pre_exp=1.96e-4 * u.m**2 * u.s**-1, + act_energy=95.5 * u.kJ * u.mol**-1, + range=(1000 / 1.5 * u.K, 873 * u.K), + isotope="D", + source="tominetti_permeability_1990", + note="Equation 9", +) + +tominetti_diffusivity_h = Diffusivity( + pre_exp=5.53e-5 * u.m**2 * u.s**-1, + act_energy=84.6 * u.kJ * u.mol**-1, + range=(1000 / 1.5 * u.K, 873 * u.K), + isotope="H", + source="tominetti_permeability_1990", + note="Equation 8", +) + +forcey_solubility_d = Solubility( + pre_exp=2.62e-4 * u.mol * u.m**-3 * u.Pa**-0.5, + act_energy=12.6 * u.kJ * u.mol**-1, + range=(515 * u.K, 742 * u.K), + isotope="D", + source="forcey_permeability_1993", + note="Equation 10", +) + +tominetti_solubility_d = Solubility( + pre_exp=3.58e-4 * u.mol * u.m**-3 * u.Pa**-0.5, + act_energy=16.9 * u.kJ * u.mol**-1, + range=(1000 / 1.5 * u.K, 873 * u.K), + isotope="D", + source="tominetti_permeability_1990", + note="Equation 13", +) + +tominetti_solubility_h = Solubility( + pre_exp=6.90e-4 * u.mol * u.m**-3 * u.Pa**-0.5, + act_energy=11.8 * u.kJ * u.mol**-1, + range=(1000 / 1.5 * u.K, 873 * u.K), + isotope="H", + source="tominetti_permeability_1990", + note="Equation 12", +) + +properties = [ + forcey_permeability_d, + tominetti_permeability_h, + forcey_diffusivity_d, + tominetti_diffusivity_d, + tominetti_diffusivity_h, + forcey_solubility_d, + tominetti_solubility_d, + tominetti_solubility_h, +] + +for prop in properties: + prop.material = htm.TZM + +htm.database += properties diff --git a/h_transport_materials/property_database/tzm/__init__.py b/h_transport_materials/property_database/tzm/__init__.py deleted file mode 100644 index 9d96271b..00000000 --- a/h_transport_materials/property_database/tzm/__init__.py +++ /dev/null @@ -1 +0,0 @@ -from . import tzm \ No newline at end of file diff --git a/h_transport_materials/property_database/tzm/forcey_TZM_1993.csv b/h_transport_materials/property_database/tzm/forcey_TZM_1993.csv deleted file mode 100644 index 81da1bd4..00000000 --- a/h_transport_materials/property_database/tzm/forcey_TZM_1993.csv +++ /dev/null @@ -1,10 +0,0 @@ -1.9411764705882353, 1.5532482604935665e-15 -1.9419607843137254, 2.218121857753988e-15 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d28c5592..1fdb3ae6 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -22,13 +22,13 @@ act_energy=72.8 * u.kJ * u.mol**-1, range=(1000 / 1.5 * u.K, 873 * u.K), isotope="H", - source="tominetti_permeability_1990", + source="tominetti_solubility_1990", note="Equation 14", ) forcey_diffusivity_d = Diffusivity( - pre_exp=3.18e-4 * u.m**2 * u.s**-1, - act_energy=88.1 * u.kJ * u.mol**-1, + D_0=3.18e-4 * u.m**2 * u.s**-1, + E_D=88.1 * u.kJ * u.mol**-1, range=(515 * u.K, 742 * u.K), isotope="D", source="forcey_permeability_1993", @@ -36,26 +36,26 @@ ) tominetti_diffusivity_d = Diffusivity( - pre_exp=1.96e-4 * u.m**2 * u.s**-1, - act_energy=95.5 * u.kJ * u.mol**-1, + D_0=1.96e-4 * u.m**2 * u.s**-1, + E_D=95.5 * u.kJ * u.mol**-1, range=(1000 / 1.5 * u.K, 873 * u.K), isotope="D", - source="tominetti_permeability_1990", + source="tominetti_solubility_1990", note="Equation 9", ) tominetti_diffusivity_h = Diffusivity( - pre_exp=5.53e-5 * u.m**2 * u.s**-1, - act_energy=84.6 * u.kJ * u.mol**-1, + D_0=5.53e-5 * u.m**2 * u.s**-1, + E_D=84.6 * u.kJ * u.mol**-1, range=(1000 / 1.5 * u.K, 873 * u.K), isotope="H", - source="tominetti_permeability_1990", + source="tominetti_solubility_1990", note="Equation 8", ) forcey_solubility_d = Solubility( - pre_exp=2.62e-4 * u.mol * u.m**-3 * u.Pa**-0.5, - act_energy=12.6 * u.kJ * u.mol**-1, + S_0=2.62e-4 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=12.6 * u.kJ * u.mol**-1, range=(515 * u.K, 742 * u.K), isotope="D", source="forcey_permeability_1993", @@ -63,20 +63,20 @@ ) tominetti_solubility_d = Solubility( - pre_exp=3.58e-4 * u.mol * u.m**-3 * u.Pa**-0.5, - act_energy=16.9 * u.kJ * u.mol**-1, + S_0=3.58e-4 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=16.9 * u.kJ * u.mol**-1, range=(1000 / 1.5 * u.K, 873 * u.K), isotope="D", - source="tominetti_permeability_1990", + source="tominetti_solubility_1990", note="Equation 13", ) tominetti_solubility_h = Solubility( - pre_exp=6.90e-4 * u.mol * u.m**-3 * u.Pa**-0.5, - act_energy=11.8 * u.kJ * u.mol**-1, + S_0=6.90e-4 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=11.8 * u.kJ * u.mol**-1, range=(1000 / 1.5 * u.K, 873 * u.K), isotope="H", - source="tominetti_permeability_1990", + source="tominetti_solubility_1990", note="Equation 12", ) From 560f01472016584701c4051404d7e4a18b605bf4 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 16 Aug 2023 08:27:04 -0400 Subject: [PATCH 045/123] added Ikeda diffusivity --- .../tungsten/ikeda_2011/__init__.py | 0 .../tungsten/ikeda_2011/data.csv | 3 +++ .../tungsten/ikeda_2011/ikeda_2011.tar | Bin 0 -> 194560 bytes .../property_database/tungsten/tungsten.py | 9 +++++++++ h_transport_materials/references.bib | 14 ++++++++++++++ 5 files changed, 26 insertions(+) create mode 100644 h_transport_materials/property_database/tungsten/ikeda_2011/__init__.py create mode 100644 h_transport_materials/property_database/tungsten/ikeda_2011/data.csv create mode 100644 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a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 8db0d66e..3ac62d4b 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -406,6 +406,14 @@ ) +data_ikeda = np.genfromtxt(htm.absolute_path("ikeda_2011/data.csv"), delimiter=",") +ikeda_diffusivity = Diffusivity( + data_T=1000 / (data_ikeda[:, 0] * u.K**-1), + data_y=data_ikeda[:, 1] * u.m**2 * u.s**-1, + source="ikeda_application_2011", + isotope="T", +) + properties = [ frauenfelder_diffusivity, liu_diffusivity_tungsten, @@ -444,6 +452,7 @@ liu_diffusivity_annealed_102um, liu_diffusivity_annealed_250um, liu_diffusivity_recrystallized_250um, + ikeda_diffusivity, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 650d8808..b7098e3f 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2447,4 +2447,18 @@ @article{penzhorn_distribution_2010 year = {2010}, publisher = {Taylor & Francis}, doi = {10.13182/FST57-3-185}, +} + + +@article{ikeda_application_2011, + author = {T. Ikeda and T. Otsuka and T. Tanabe}, + title = {Application of Tritium Tracer Technique to Determination of Hydrogen Diffusion Coefficients and Permeation Rate near Room Temperature for Tungsten}, + journal = {Fusion Science and Technology}, + volume = {60}, + number = {4}, + pages = {1463-1466}, + year = {2011}, + publisher = {Taylor & Francis}, + doi = {10.13182/FST11-A12707}, + url = {https://doi.org/10.13182/FST11-A12707}, } \ No newline at end of file From 8850597cf1db1145d4eea36107e46bd59cb48eb6 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 16 Aug 2023 08:43:03 -0400 Subject: [PATCH 046/123] added otsuka 2009 diffusivity --- .../property_database/tungsten/tungsten.py | 10 ++++++++++ h_transport_materials/references.bib | 16 +++++++++++++++- 2 files changed, 25 insertions(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 8db0d66e..bfe415ec 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -406,6 +406,15 @@ ) +otsuka_diffusivity = Diffusivity( + D_0=3e-7 * u.m**2 * u.s**-1, + E_D=0.39 * u.eV * u.particle**-1, + range=(473.0 * u.K, 673.0 * u.K), + isotope="T", + note="likely an apparent diffusivity", + source="otsuka_visualization_2009", +) + properties = [ frauenfelder_diffusivity, liu_diffusivity_tungsten, @@ -444,6 +453,7 @@ liu_diffusivity_annealed_102um, liu_diffusivity_annealed_250um, liu_diffusivity_recrystallized_250um, + otsuka_diffusivity, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 650d8808..8a787475 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2447,4 +2447,18 @@ @article{penzhorn_distribution_2010 year = {2010}, publisher = {Taylor & Francis}, doi = {10.13182/FST57-3-185}, -} \ No newline at end of file +} + +@article{otsuka_visualization_2009, + doi = {10.1088/0031-8949/2009/T138/014052}, + url = {https://dx.doi.org/10.1088/0031-8949/2009/T138/014052}, + year = {2009}, + month = {dec}, + publisher = {}, + volume = {2009}, + number = {T138}, + pages = {014052}, + author = {T Otsuka and T Hoshihira and T Tanabe}, + title = {Visualization of hydrogen depth profile by means of tritium imaging plate technique: determination of hydrogen diffusion coefficient in pure tungsten}, + journal = {Physica Scripta}, +} From afda5b6406357789bdf9f1f1eb694d58761cab90 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 16 Aug 2023 08:49:39 -0400 Subject: [PATCH 047/123] added new yttrium material --- h_transport_materials/material.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index 32847908..9ded4cfe 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -109,9 +109,11 @@ def __init__(self): class MoltenSalt(Material): family = "molten salt" + class FeCrAl(Steel): family = "fecral" + TUNGSTEN = Tungsten() BERYLLIUM = Beryllium() CARBON = Carbon() @@ -146,6 +148,7 @@ class FeCrAl(Steel): LITHIUM = PureMetal("lithium", "Li") PDAG = Alloy("pdag") ZIRCONIUM = PureMetal("zirconium", "Zr") +YTTRIUM = PureMetal("yttrium", "Y") ALUMINA = Compound("alumina") EUROFER = Steel("eurofer_97") From f61d6b339b314e8689367cfc454353168ca1910f Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 16 Aug 2023 08:58:59 -0400 Subject: [PATCH 048/123] added Yttrium solubilities from Begun --- .../property_database/__init__.py | 2 + .../property_database/yttrium.py | 51 +++++++++++++++++++ h_transport_materials/references.bib | 17 ++++++- 3 files changed, 69 insertions(+), 1 deletion(-) create mode 100644 h_transport_materials/property_database/yttrium.py diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index b08bbe36..00def075 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -64,3 +64,5 @@ from . import vanadium_alloy from . import FeCrAl + +from . import yttrium diff --git a/h_transport_materials/property_database/yttrium.py b/h_transport_materials/property_database/yttrium.py new file mode 100644 index 00000000..65f946bc --- /dev/null +++ b/h_transport_materials/property_database/yttrium.py @@ -0,0 +1,51 @@ +import h_transport_materials as htm +from h_transport_materials.property import ( + Diffusivity, + RecombinationCoeff, + Solubility, + Permeability, +) +import numpy as np + +u = htm.ureg + + +# https://www.aqua-calc.com/calculate/mole-to-volume-and-weight/substance/yttrium +YTTRIUM_MOLAR_VOLUME = 1.99e-5 * u.m**3 * u.mol**-1 + +begun_solubility_h = Solubility( + data_T=u.Quantity([1000, 950, 900, 850, 800, 750, 700], u.degC), + data_y=[0.321, 0.471, 0.722, 1.13, 1.80, 3.08, 5.44] + * u.torr**-0.5 + / YTTRIUM_MOLAR_VOLUME, + isotope="H", + source="begun_equilibrium_2008", + note="table I", +) + +begun_solubility_d = Solubility( + data_T=u.Quantity([1000, 950, 900, 850, 800, 750, 700], u.degC), + data_y=[0.291, 0.428, 0.648, 0.998, 1.60, 2.79, 4.51] + * u.torr**-0.5 + / YTTRIUM_MOLAR_VOLUME, + isotope="D", + source="begun_equilibrium_2008", + note="table I", +) + +begun_solubility_t = Solubility( + data_T=u.Quantity([1000, 950, 900, 850, 800, 750, 700], u.degC), + data_y=[0.240, 0.358, 0.545, 0.840, 1.28, 2.13, 3.34] + * u.torr**-0.5 + / YTTRIUM_MOLAR_VOLUME, + isotope="T", + source="begun_equilibrium_2008", + note="table I", +) + +properties = [begun_solubility_h, begun_solubility_d, begun_solubility_t] + +for prop in properties: + prop.material = htm.YTTRIUM + +htm.database += properties diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 650d8808..0f74ab78 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2447,4 +2447,19 @@ @article{penzhorn_distribution_2010 year = {2010}, publisher = {Taylor & Francis}, doi = {10.13182/FST57-3-185}, -} \ No newline at end of file +} + +@article{begun_equilibrium_2008, + author = {Begun, G. M. and Land, J. F. and Bell, J. T.}, + title = "{High temperature equilibrium measurements of the yttrium–hydrogen isotope (H2, D2, T2) systems.}", + journal = {The Journal of Chemical Physics}, + volume = {72}, + number = {5}, + pages = {2959-2966}, + year = {2008}, + month = {07}, + abstract = "{Equilibrium pressures as a function of concentration and temperature were measured for the systems, yttrium–hydrogen, yttrium–deuterium, and yttrium–tritium. Temperatures were varied from 700–1000 °C and concentrations in the solid yttrium phase ranged from H/Y or D/Y atom ratios of 0.01 to 2.0 and T/Y ratios of 0.03 to 1.1. Equilibrium isotherms have been plotted and Van’t Hoff isopleths calculated for these systems. Relative partial molal enthalpies and entropies have been tabulated for the reactions of the hydrogen isotopes with yttrium as a function of atom ratio in the solid. In the low concentration range (H/Y=D/Y=T/Y\\<0.3), the data obey Sieverts law where the concentration of hydrogen isotope in yttrium is proportional to the square root of the hydrogen isotope pressure. Sieverts constants have been derived. At constant atom fraction the tritium compound has the highest equilibrium pressure and the protium compound the lowest. Expressions for the isotopic hydrogen pressure ratios have been derived and agree well with a simple theoretical treatment in which the dissolved hydrogen atoms are regarded as independent oscillators held in tetrahedral potential wells in the yttrium lattice.}", + issn = {0021-9606}, + doi = {10.1063/1.439496}, + url = {https://doi.org/10.1063/1.439496}, +} From c4507619eb79b9e94a286fe0ec076d9b1b4385cd Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 16 Aug 2023 09:14:00 -0400 Subject: [PATCH 049/123] added okuno LiPb diffusivities --- .../property_database/lipb/lipb.py | 21 ++++++++++++++++++ .../lipb/okuno_1986/__init__.py | 0 .../lipb/okuno_1986/data.csv | 9 ++++++++ .../lipb/okuno_1986/okuno_1986.tar | Bin 0 -> 102400 bytes h_transport_materials/references.bib | 16 ++++++++++++- 5 files changed, 45 insertions(+), 1 deletion(-) create mode 100644 h_transport_materials/property_database/lipb/okuno_1986/__init__.py create mode 100644 h_transport_materials/property_database/lipb/okuno_1986/data.csv create mode 100644 h_transport_materials/property_database/lipb/okuno_1986/okuno_1986.tar diff --git a/h_transport_materials/property_database/lipb/lipb.py b/h_transport_materials/property_database/lipb/lipb.py index ba55f86a..6e160059 100644 --- a/h_transport_materials/property_database/lipb/lipb.py +++ b/h_transport_materials/property_database/lipb/lipb.py @@ -368,6 +368,25 @@ def atom_density_lipb(nb_li: int, nb_pb: int): source="okada_analysis_2012", ) + +data_okuno = htm.structure_data_from_wpd("okuno_1986/data.csv") + +okuno_diffusivity_li7pb2 = Diffusivity( + data_T=1000 / (data_okuno["li7pb2"]["x"] * u.K**-1), + data_y=data_okuno["li7pb2"]["y"] * u.cm**2 * u.s**-1, + isotope="T", + note="Li7Pb2", + source="okuno_thermal_1986", +) + +okuno_diffusivity_li45pb55 = Diffusivity( + data_T=1000 / (data_okuno["li45pb55"]["x"] * u.K**-1), + data_y=data_okuno["li45pb55"]["y"] * u.cm**2 * u.s**-1, + isotope="T", + note="Li45Pb55", + source="okuno_thermal_1986", +) + properties = [ fauvet_diffusivity, reiter_diffusivity_h, @@ -400,6 +419,8 @@ def atom_density_lipb(nb_li: int, nb_pb: int): okada_diffusivity_d, okada_solubility_h, okada_solubility_d, + okuno_diffusivity_li7pb2, + okuno_diffusivity_li45pb55, ] for prop in properties: diff --git a/h_transport_materials/property_database/lipb/okuno_1986/__init__.py b/h_transport_materials/property_database/lipb/okuno_1986/__init__.py new file mode 100644 index 00000000..e69de29b diff --git a/h_transport_materials/property_database/lipb/okuno_1986/data.csv b/h_transport_materials/property_database/lipb/okuno_1986/data.csv new file mode 100644 index 00000000..be4a2cec --- /dev/null +++ b/h_transport_materials/property_database/lipb/okuno_1986/data.csv @@ -0,0 +1,9 @@ +li7pb2,,li45pb55, +X,Y,X,Y +1.4350149117929534,8.62814036352441e-7,1.5960243643532324,0.00001778124183545961 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zU7+c>D{=`^I9)XmI%@6_;oyb{r1Cp+pTkptbOcj?DZJTNuohq~{HI!2_;7cN-{JP9 zB%TGh0{nt~OMPO$fyVF!6MzZ81YiO%0hj Date: Wed, 16 Aug 2023 12:28:37 -0400 Subject: [PATCH 050/123] add figure number --- h_transport_materials/property_database/lipb/lipb.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/lipb/lipb.py b/h_transport_materials/property_database/lipb/lipb.py index 6e160059..2d93b49d 100644 --- a/h_transport_materials/property_database/lipb/lipb.py +++ b/h_transport_materials/property_database/lipb/lipb.py @@ -375,7 +375,7 @@ def atom_density_lipb(nb_li: int, nb_pb: int): data_T=1000 / (data_okuno["li7pb2"]["x"] * u.K**-1), data_y=data_okuno["li7pb2"]["y"] * u.cm**2 * u.s**-1, isotope="T", - note="Li7Pb2", + note="Li7Pb2, figure 6", source="okuno_thermal_1986", ) @@ -383,7 +383,7 @@ def atom_density_lipb(nb_li: int, nb_pb: int): data_T=1000 / (data_okuno["li45pb55"]["x"] * u.K**-1), data_y=data_okuno["li45pb55"]["y"] * u.cm**2 * u.s**-1, isotope="T", - note="Li45Pb55", + note="Li45Pb55, figure 6", source="okuno_thermal_1986", ) From 66be7322536c7ed7a498258dd37900c4a1cac875 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 16 Aug 2023 12:44:46 -0400 Subject: [PATCH 051/123] fixed bibtex syntax --- h_transport_materials/references.bib | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 85d996f0..54938675 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2460,6 +2460,7 @@ @article{begun_equilibrium_2008 issn = {0021-9606}, doi = {10.1063/1.439496}, url = {https://doi.org/10.1063/1.439496}, +} @article{okuno_thermal_1986, title = {Thermal release of tritium from neutron-irradiated Li7Pb2}, From 758df5566999f35f51826a4d695b7077f463bfaa Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Wed, 16 Aug 2023 14:07:01 -0600 Subject: [PATCH 052/123] add recombination and dissociation rates --- .../property_database/tzm.py | 58 ++++++++++++++++--- 1 file changed, 50 insertions(+), 8 deletions(-) diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index 1fdb3ae6..1f229722 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -3,6 +3,8 @@ Permeability, Diffusivity, Solubility, + DissociationCoeff, + RecombinationCoeff, ) import numpy as np @@ -18,12 +20,12 @@ ) tominetti_permeability_h = Permeability( - pre_exp=3.82e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, - act_energy=72.8 * u.kJ * u.mol**-1, - range=(1000 / 1.5 * u.K, 873 * u.K), + pre_exp=5.53e-5 * 6.90e-4 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=(84.6 - 11.8) * u.kJ * u.mol**-1, + range=(673 * u.K, 873 * u.K), isotope="H", source="tominetti_solubility_1990", - note="Equation 14", + note="D*Ks", ) forcey_diffusivity_d = Diffusivity( @@ -38,7 +40,7 @@ tominetti_diffusivity_d = Diffusivity( D_0=1.96e-4 * u.m**2 * u.s**-1, E_D=95.5 * u.kJ * u.mol**-1, - range=(1000 / 1.5 * u.K, 873 * u.K), + range=(673 * u.K, 873 * u.K), isotope="D", source="tominetti_solubility_1990", note="Equation 9", @@ -47,7 +49,7 @@ tominetti_diffusivity_h = Diffusivity( D_0=5.53e-5 * u.m**2 * u.s**-1, E_D=84.6 * u.kJ * u.mol**-1, - range=(1000 / 1.5 * u.K, 873 * u.K), + range=(673 * u.K, 873 * u.K), isotope="H", source="tominetti_solubility_1990", note="Equation 8", @@ -65,7 +67,7 @@ tominetti_solubility_d = Solubility( S_0=3.58e-4 * u.mol * u.m**-3 * u.Pa**-0.5, E_S=16.9 * u.kJ * u.mol**-1, - range=(1000 / 1.5 * u.K, 873 * u.K), + range=(673 * u.K, 873 * u.K), isotope="D", source="tominetti_solubility_1990", note="Equation 13", @@ -74,12 +76,48 @@ tominetti_solubility_h = Solubility( S_0=6.90e-4 * u.mol * u.m**-3 * u.Pa**-0.5, E_S=11.8 * u.kJ * u.mol**-1, - range=(1000 / 1.5 * u.K, 873 * u.K), + range=(673 * u.K, 873 * u.K), isotope="H", source="tominetti_solubility_1990", note="Equation 12", ) +tominetti_dissociation_d = DissociationCoeff( + pre_exp=0.71e-6 * u.mol * u.m**2 * u.s*-1 * u.Pa**-1, + act_energy=75.9 * u.kJ * u.mol**-1, + range=(673 * u.K, 873 * u.K), + isotope="D", + source="tominetti_solubility_1990", + note="Equation 16", +) + +tominetti_dissociation_h = DissociationCoeff( + pre_exp=8.81e-8 * u.mol * u.m**2 * u.s*-1 * u.Pa**-1, + act_energy=61.2 * u.kJ * u.mol**-1, + range=(673 * u.K, 873 * u.K), + isotope="H", + source="tominetti_solubility_1990", + note="Equation 15", +) + +tominetti_recombination_d = RecombinationCoeff( + pre_exp=10.27 * u.m**4 * u.s**-1 * u.mol**-1, + act_energy=111.6 * u.kJ * u.mol**-1, + range=(673 * u.K, 873 * u.K), + isotope="D", + source="tominetti_solubility_1990", + note="Equation 16", +) + +tominetti_recombination_h = RecombinationCoeff( + pre_exp=0.26 * u.m**4 * u.s**-1 * u.mol**-1, + act_energy=87.0 * u.kJ * u.mol**-1, + range=(673 * u.K, 873 * u.K), + isotope="H", + source="tominetti_solubility_1990", + note="Equation 15", +) + properties = [ forcey_permeability_d, tominetti_permeability_h, @@ -89,6 +127,10 @@ forcey_solubility_d, tominetti_solubility_d, tominetti_solubility_h, + tominetti_dissociation_d, + tominetti_dissociation_h, + tominetti_recombination_d, + tominetti_recombination_h, ] for prop in properties: From ed9d2a0defd14fe8914d63032e05b5e8da5722d6 Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Wed, 16 Aug 2023 14:10:54 -0600 Subject: [PATCH 053/123] fix units --- h_transport_materials/property_database/tzm.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index 1f229722..4a5b6283 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -83,7 +83,7 @@ ) tominetti_dissociation_d = DissociationCoeff( - pre_exp=0.71e-6 * u.mol * u.m**2 * u.s*-1 * u.Pa**-1, + pre_exp=0.71e-6 * u.mol * u.m**-2 * u.s*-1 * u.Pa**-1, act_energy=75.9 * u.kJ * u.mol**-1, range=(673 * u.K, 873 * u.K), isotope="D", @@ -92,7 +92,7 @@ ) tominetti_dissociation_h = DissociationCoeff( - pre_exp=8.81e-8 * u.mol * u.m**2 * u.s*-1 * u.Pa**-1, + pre_exp=8.81e-8 * u.mol * u.m**-2 * u.s*-1 * u.Pa**-1, act_energy=61.2 * u.kJ * u.mol**-1, range=(673 * u.K, 873 * u.K), isotope="H", From a5931a530c4d218537a74101753e24d2d9200503 Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Wed, 16 Aug 2023 14:18:07 -0600 Subject: [PATCH 054/123] fix units --- h_transport_materials/property_database/tzm.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index 4a5b6283..3e141041 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -83,7 +83,7 @@ ) tominetti_dissociation_d = DissociationCoeff( - pre_exp=0.71e-6 * u.mol * u.m**-2 * u.s*-1 * u.Pa**-1, + pre_exp=0.71e-6 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, act_energy=75.9 * u.kJ * u.mol**-1, range=(673 * u.K, 873 * u.K), isotope="D", @@ -92,7 +92,7 @@ ) tominetti_dissociation_h = DissociationCoeff( - pre_exp=8.81e-8 * u.mol * u.m**-2 * u.s*-1 * u.Pa**-1, + pre_exp=8.81e-8 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, act_energy=61.2 * u.kJ * u.mol**-1, range=(673 * u.K, 873 * u.K), isotope="H", From 86201491c70fb9bea0280b5b848a4b1d43a9d572 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Wed, 16 Aug 2023 15:39:25 -0600 Subject: [PATCH 055/123] Update h_transport_materials/property_database/tzm.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/tzm.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index 3e141041..e5df624a 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -75,7 +75,7 @@ tominetti_solubility_h = Solubility( S_0=6.90e-4 * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=11.8 * u.kJ * u.mol**-1, + E_S=-11.8 * u.kJ * u.mol**-1, range=(673 * u.K, 873 * u.K), isotope="H", source="tominetti_solubility_1990", From b61016c341ed8a22bcf977aaf7a521ba3ef7f1b3 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Wed, 16 Aug 2023 15:39:33 -0600 Subject: [PATCH 056/123] Update h_transport_materials/property_database/tzm.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/tzm.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index e5df624a..3795282f 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -66,7 +66,7 @@ tominetti_solubility_d = Solubility( S_0=3.58e-4 * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=16.9 * u.kJ * u.mol**-1, + E_S=-16.9 * u.kJ * u.mol**-1, range=(673 * u.K, 873 * u.K), isotope="D", source="tominetti_solubility_1990", From 96aeabc3b1f95d7e43e12333c4026eee379644ce Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Wed, 16 Aug 2023 15:39:41 -0600 Subject: [PATCH 057/123] Update h_transport_materials/property_database/tzm.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/tzm.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index 3795282f..e3c556a2 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -57,7 +57,7 @@ forcey_solubility_d = Solubility( S_0=2.62e-4 * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=12.6 * u.kJ * u.mol**-1, + E_S=-12.6 * u.kJ * u.mol**-1, range=(515 * u.K, 742 * u.K), isotope="D", source="forcey_permeability_1993", From 4425bdd198afc45ceb9b3344dab25b3fc2e11d9b Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Wed, 16 Aug 2023 15:45:30 -0600 Subject: [PATCH 058/123] Update tominetti permeability --- h_transport_materials/property_database/tzm.py | 16 ++++++---------- 1 file changed, 6 insertions(+), 10 deletions(-) diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index e3c556a2..4b21905e 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -19,15 +19,6 @@ note="Equation 8", ) -tominetti_permeability_h = Permeability( - pre_exp=5.53e-5 * 6.90e-4 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, - act_energy=(84.6 - 11.8) * u.kJ * u.mol**-1, - range=(673 * u.K, 873 * u.K), - isotope="H", - source="tominetti_solubility_1990", - note="D*Ks", -) - forcey_diffusivity_d = Diffusivity( D_0=3.18e-4 * u.m**2 * u.s**-1, E_D=88.1 * u.kJ * u.mol**-1, @@ -118,9 +109,13 @@ note="Equation 15", ) +tominetti_permeability_h = tominetti_diffusivity_h * tominetti_solubility_h +tominetti_permeability_h.source = "tominetti_solubility_1990" +tominetti_permeability_h.isotope = "H" +tominetti_permeability_h.range = (673 * u.K, 873 * u.K) + properties = [ forcey_permeability_d, - tominetti_permeability_h, forcey_diffusivity_d, tominetti_diffusivity_d, tominetti_diffusivity_h, @@ -131,6 +126,7 @@ tominetti_dissociation_h, tominetti_recombination_d, tominetti_recombination_h, + tominetti_permeability_h, ] for prop in properties: From ee84722feb4c5b317a0f63011976b1da2523b86c Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Wed, 16 Aug 2023 16:00:48 -0600 Subject: [PATCH 059/123] fix bracket --- h_transport_materials/references.bib | 21 +++++++++++---------- 1 file changed, 11 insertions(+), 10 deletions(-) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 63aec1dc..9cbd8c2a 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2479,16 +2479,17 @@ @article{forcey_permeability_1993 } @article{tominetti_solubility_1990, -title = {Solubility and diffusivity of hydrogen and deuterium in TZM}, -journal = {Journal of Nuclear Materials}, -volume = {176-177}, -pages = {672-677}, -year = {1990}, -issn = {0022-3115}, -doi = {https://doi.org/10.1016/0022-3115(90)90125-7}, -url = {https://www.sciencedirect.com/science/article/pii/0022311590901257}, -author = {S. Tominetti and M. Caorlin and J. Camposilvan and A. Perujo and F. Reiter}, -abstract = {A gas evolution method has been used to study the interaction of hydrogen and deuterium with TZM, a potential NET divertor material. Temperatures in the range 673–873 K and loading pressures between 103 and 105 Pa have been used. Hydrogen and deuterium dissolve exothermally in TZM, despite the dominant presence of Mo, which is an endothermal occluder of hydrogen. Their solubility is quite low, i.e. in the range 0.1–1 mol m−3, but higher than in Mo, 10 times at 873 K. The diffusivity obtained after data fitting with a simple diffusion-limited model is 10 times lower than in Mo, in the range 1 × 10−11-5 × 10−10m2s−1. Surface effects are present and are analyzed on the basis of a simple surface-li mited kinetic model. The hydrogen and deuterium data obtained have been used for tritium extrapolation of solubility and diffusivity.} + title = {Solubility and diffusivity of hydrogen and deuterium in TZM}, + journal = {Journal of Nuclear Materials}, + volume = {176-177}, + pages = {672-677}, + year = {1990}, + issn = {0022-3115}, + doi = {https://doi.org/10.1016/0022-3115(90)90125-7}, + url = {https://www.sciencedirect.com/science/article/pii/0022311590901257}, + author = {S. Tominetti and M. Caorlin and J. Camposilvan and A. Perujo and F. Reiter}, + abstract = {A gas evolution method has been used to study the interaction of hydrogen and deuterium with TZM, a potential NET divertor material. Temperatures in the range 673–873 K and loading pressures between 103 and 105 Pa have been used. Hydrogen and deuterium dissolve exothermally in TZM, despite the dominant presence of Mo, which is an endothermal occluder of hydrogen. Their solubility is quite low, i.e. in the range 0.1–1 mol m−3, but higher than in Mo, 10 times at 873 K. The diffusivity obtained after data fitting with a simple diffusion-limited model is 10 times lower than in Mo, in the range 1 × 10−11-5 × 10−10m2s−1. Surface effects are present and are analyzed on the basis of a simple surface-li mited kinetic model. The hydrogen and deuterium data obtained have been used for tritium extrapolation of solubility and diffusivity.} +} @article{buchenauer_permeation_2016, title = {Gas-driven permeation of deuterium through tungsten and tungsten alloys}, From 6c17d4d00471c2f07323feddade47357e782a51b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Thu, 17 Aug 2023 11:09:07 -0400 Subject: [PATCH 060/123] Create .gitattributes --- .gitattributes | 1 + 1 file changed, 1 insertion(+) create mode 100644 .gitattributes diff --git a/.gitattributes b/.gitattributes new file mode 100644 index 00000000..ac59e166 --- /dev/null +++ b/.gitattributes @@ -0,0 +1 @@ +*.tex linguist-vendored From 6464902e4d13cab5c5141c89485f750bbc0b8669 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Thu, 17 Aug 2023 11:09:34 -0400 Subject: [PATCH 061/123] bib not tex --- .gitattributes | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.gitattributes b/.gitattributes index ac59e166..2edf64ac 100644 --- a/.gitattributes +++ b/.gitattributes @@ -1 +1 @@ -*.tex linguist-vendored +*.bib linguist-vendored From e157e00e6e35d12b0fdf85841775f739f26c008d Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Wed, 30 Aug 2023 10:00:32 -0600 Subject: [PATCH 062/123] Add palladium alloys --- h_transport_materials/material.py | 7 +- .../property_database/__init__.py | 3 + .../property_database/palladium.py | 11 +- .../property_database/palladium_copper.py | 59 +++++++++ .../property_database/palladium_silver.py | 118 ++++++++++++++++++ h_transport_materials/references.bib | 45 +++++++ 6 files changed, 241 insertions(+), 2 deletions(-) create mode 100644 h_transport_materials/property_database/palladium_copper.py create mode 100644 h_transport_materials/property_database/palladium_silver.py diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index ad6305a4..06bd557e 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -113,6 +113,8 @@ class MoltenSalt(Material): class FeCrAl(Steel): family = "fecral" +class PalladiumAlloy(Alloy): + family = "palladium alloy" TUNGSTEN = Tungsten() BERYLLIUM = Beryllium() @@ -161,4 +163,7 @@ class FeCrAl(Steel): FE22CR5AL = FeCrAl("fe22cr5al") OXIDIZED_1605 = FeCrAl("oxidized_1605") -TZM = Alloy("tzm") \ No newline at end of file +TZM = Alloy("tzm") + +PD25AG = PalladiumAlloy("pd25ag") +PD52CU = PalladiumAlloy("pd52cu") \ No newline at end of file diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index 6b47be29..be0bd682 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -68,3 +68,6 @@ from . import yttrium from . import tzm + +from . import palladium_silver +from . import palladium_copper \ No newline at end of file diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index 69ff5491..d0f7a048 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -1,5 +1,5 @@ import h_transport_materials as htm -from h_transport_materials import Diffusivity, Solubility +from h_transport_materials import Diffusivity, Solubility, RecombinationCoeff import numpy as np u = htm.ureg @@ -472,6 +472,14 @@ source="powell_surface_1991", ) +takagi_recombination_h = RecombinationCoeff( + pre_exp=1.5e-27 * 6.022e23 * u.m**4 * u.s**-1 * u.mol**-1, #convert to mols + act_energy=0.48 * 6.022e23 * u.eV * u.mol**-1, #convert to mols + range=(280 * u.K, 568 * u.K), + isotope="H", + source="takagi_asymmetric_2003", + note="Equation 6", +) properties = [ volkl_diffusivity, @@ -481,6 +489,7 @@ solubility_powell_d, diffusivity_powell_h, diffusivity_powell_d, + takagi_recombination_h, ] for prop in properties: diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py new file mode 100644 index 00000000..5d075a0b --- /dev/null +++ b/h_transport_materials/property_database/palladium_copper.py @@ -0,0 +1,59 @@ +import h_transport_materials as htm +from h_transport_materials import ( + Permeability, + Diffusivity, +) +import numpy as np + +u = htm.ureg + +li_data_T = np.array( + [ + 350, + 375, + 400, + 425, + ] +) # in degC + +li_data_y = ( + np.array( + [ + 1.45e-8, + 1.51e-8, + 1.55e-8, + 1.60e-8, + ] + ) + * u.mol + * u.m**-1 + * u.Pa**-0.5 + * u.s**-1 +) + +li_permeability_h = Permeability( + data_T=li_data_T * u.degC, + data_y=li_data_y, + source="li_low_2023", + isotope="H", + note="SI Table 1 (supporting information)" +) + +piper_diffusivity_h = Diffusivity( + D_0=3e-3 * u.cm**2 * u.s**-1, + E_D=2400 * u.cal * u.mol**-1, + range=((50 + 273.15) * u.K, (600 + 273.15) * u.K), + isotope="H", + source="piper_diffusion_2004", + note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase", +) + +properties = [ + li_permeability_h, + piper_diffusivity_h, +] + +for prop in properties: + prop.material = htm.PD52CU + +htm.database += properties \ No newline at end of file diff --git a/h_transport_materials/property_database/palladium_silver.py b/h_transport_materials/property_database/palladium_silver.py new file mode 100644 index 00000000..baf5615a --- /dev/null +++ b/h_transport_materials/property_database/palladium_silver.py @@ -0,0 +1,118 @@ +import h_transport_materials as htm +from h_transport_materials import ( + Permeability, + Diffusivity, + Solubility, + DissociationCoeff, + RecombinationCoeff, +) + +u = htm.ureg + +serra_permeability_h = Permeability( + pre_exp=5.58e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6304 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 6", +) + +serra_permeability_d = Permeability( + pre_exp=3.43e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6156 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 7", +) + +serra_diffusivity_h = Diffusivity( + D_0=3.07e-7 * u.m**2 * u.s**-1, + E_D=25902 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 3 or Equation 6", +) + +serra_diffusivity_d = Diffusivity( + D_0=1.87e-7 * u.m**2 * u.s**-1, + E_D=24685 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 3 or Equation 7", +) + +serra_solubility_h = Solubility( + S_0=0.182 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=-19598 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 4 or Equation 6", +) + +serra_solubility_d = Solubility( + S_0=0.184 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=-18531 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 4 or Equation 7", +) + +serra_dissociation_h = DissociationCoeff( + pre_exp=1.7e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, + act_energy=26294 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Equation 8", +) + +serra_dissociation_d = DissociationCoeff( + pre_exp=1.3e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, + act_energy=24780 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Equation 9", +) + +serra_recombination_h = RecombinationCoeff( + pre_exp=0.51 * u.m**4 * u.s**-1 * u.mol**-1, + act_energy=65490 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Equation 8", +) + +serra_recombination_d = RecombinationCoeff( + pre_exp=0.39 * u.m**4 * u.s**-1 * u.mol**-1, + act_energy=61842 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Equation 9", +) + +properties = [ + serra_permeability_h, + serra_permeability_d, + serra_diffusivity_h, + serra_diffusivity_d, + serra_solubility_h, + serra_solubility_d, + serra_dissociation_h, + serra_dissociation_d, + serra_recombination_h, + serra_recombination_d, +] + +for prop in properties: + prop.material = htm.PD25AG + +htm.database += properties \ No newline at end of file diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 9cbd8c2a..1d8f8fe4 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2561,3 +2561,48 @@ @article{ikeda_application_2011 doi = {10.13182/FST11-A12707}, url = {https://doi.org/10.13182/FST11-A12707}, } + +@article{takagi_asymmetric_2003, +title = {Asymmetric surface recombination of hydrogen on palladium exposed to plasma}, +journal = {Journal of Nuclear Materials}, +volume = {313-316}, +pages = {102-106}, +year = {2003}, +note = {Plasma-Surface Interactions in Controlled Fusion Devices 15}, +issn = {0022-3115}, +doi = {https://doi.org/10.1016/S0022-3115(02)01370-3}, +url = {https://www.sciencedirect.com/science/article/pii/S0022311502013703}, +author = {Ikuji Takagi and Kimikazu Moritani and Hirotake Moriyama}, +keywords = {Plasma–wall interactions, Palladium, Hydrogen, Recombination, Nuclear reaction analysis, Coverage}, +abstract = {Recombination coefficient of deuterium on either side of a palladium membrane was experimentally studied. Under conditions that one side of the membrane was continuously exposed to a deuterium plasma and the permeation flux was monitored on the other side, two experiments were conducted. One was to observe the transient behavior of the permeation when the incident flux from the plasma was quickly changed and the other was to observe the deuterium concentration by the nuclear reaction analysis. The permeation was limited by the second-order kinetics with respect to deuterium concentration, and the recombination coefficient ku on the plasma-facing side was expressed by ku=1.5×10−27exp(−0.48eV/kT) m4s−1, which is explained by the Pick’s model. The recombination coefficient kd on the downstream side was the same as ku at lower temperatures but showed different temperature dependence above 400 K. This can also be explained by the model but another process of the second-order kinetics may be present.} +} + +@article{li_low_2023, +title = {Low temperature hydrogen plasma permeation in palladium and its alloys for fuel recycling in fusion systems}, +journal = {Journal of Nuclear Materials}, +volume = {582}, +pages = {154484}, +year = {2023}, +issn = {0022-3115}, +doi = {https://doi.org/10.1016/j.jnucmat.2023.154484}, +url = {https://www.sciencedirect.com/science/article/pii/S0022311523002519}, +author = {Chao Li and Adam J. Job and Thomas F. Fuerst and Masashi Shimada and J. Douglas Way and Colin A. Wolden}, +keywords = {Palladium, Superpermeation, Hydrogen, Metal foil pump, Fusion fuel cycle}, +abstract = {Superpermeation of hydrogen isotopes through metal foils is a critical component for efficient fuel recycling in fusion power systems. In that context hydrogen permeation through foils of palladium and its alloys with silver and copper was studied at low temperature (60 - 200°C) under plasma exposure. These alloys differ significantly in both bulk and surface properties, and comparisons can provide mechanistic insights. Permeation was observed only during plasma operation, confirming the negligible contribution of molecular hydrogen to the observed flux. As-received foils required surface treatment to achieve top performance. For Pd and Pd75Ag25 an oxidation treatment increased permeation an order of magnitude, but proved unstable as this desirable surface was reduced under hydrogen plasma exposure. In contrast, an Ar plasma cleaning step provided both high and stable flux. As-received FCC phase Pd60Cu40 foils required annealing to transform it into the high permeability BCC phase that delivered top performance. All foils displayed similar temperature dependence with flux declining with temperature, suggesting that the primary rate-limiting step is absorption of superthermal hydrogen. Among these foils the hydrogen flux through PdCu was 3 - 5X greater than that of Pd or PdAg, which were similar. The superiority of BCC PdCu is attributed to its superior hydrogen desorption kinetics. Using PdCu 100% permeation of supplied hydrogen was achieved, and the flux saturated with increasing plasma power at values >10−2 mol H·m−2·s−1, and under these conditions permeation rates are equivalent with or without the membrane present. The fluxes achieved are the highest reported to date at these conditions, and the results highlight the important roles of both surface and bulk properties.} +} + +@article{piper_diffusion_2004, + author = {Piper, John}, + title = "{Diffusion of Hydrogen in Copper‐Palladium Alloys}", + journal = {Journal of Applied Physics}, + volume = {37}, + number = {2}, + pages = {715-721}, + year = {2004}, + month = {06}, + abstract = "{The diffusion of hydrogen in copper‐palladium alloys has been studied by utilizing the dependence of electrical resistivity upon hydrogen concentration—a technique both rapid and simple. At 25°C the diffusion coefficient in the range 0–58 at.\\% Cu is relatively insensitive to alloy composition but is extremely sensitive to the α‐β phase change: it increases two orders of magnitude to become 5×10−5 cm2/sec when the crystal structure of the alloy system changes from face‐centered cubic to ordered body‐centered cubic. Measurements at 130°C indicate that this large increase is due to a decrease by a factor of three in the activation energy for diffusion. The ratio of the diffusion coefficient for hydrogen to that for deuterium in the body‐centered cubic alloy was found to be approximately 1.5.}", + issn = {0021-8979}, + doi = {10.1063/1.1708243}, + url = {https://doi.org/10.1063/1.1708243}, + eprint = {https://pubs.aip.org/aip/jap/article-pdf/37/2/715/7937414/715\_1\_online.pdf}, +} From dcb008ff7a933a0a28e9d478fb1374b83c880182 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Thu, 31 Aug 2023 09:24:09 -0400 Subject: [PATCH 063/123] removed system packages: false --- .readthedocs.yaml | 1 - 1 file changed, 1 deletion(-) diff --git a/.readthedocs.yaml b/.readthedocs.yaml index 92ffa8cc..a12e3c7a 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -11,4 +11,3 @@ python: - requirements: docs/requirements.txt - method: pip path: . - system_packages: false \ No newline at end of file From e0b7287ce5497b860647bdcaa857b4380b835f79 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:55:47 -0600 Subject: [PATCH 064/123] Update h_transport_materials/property_database/palladium.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index d0f7a048..b9e43825 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -473,8 +473,8 @@ ) takagi_recombination_h = RecombinationCoeff( - pre_exp=1.5e-27 * 6.022e23 * u.m**4 * u.s**-1 * u.mol**-1, #convert to mols - act_energy=0.48 * 6.022e23 * u.eV * u.mol**-1, #convert to mols + pre_exp=1.5e-27 * u.m**4 * u.s**-1 * u.particle**-1, + act_energy=0.48 * u.eV * u.particle**-1, range=(280 * u.K, 568 * u.K), isotope="H", source="takagi_asymmetric_2003", From f81a7e9adfc30948b28853ea0791c1a334ac8c74 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:56:05 -0600 Subject: [PATCH 065/123] Update h_transport_materials/property_database/palladium.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index b9e43825..f08a7ada 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -476,7 +476,7 @@ pre_exp=1.5e-27 * u.m**4 * u.s**-1 * u.particle**-1, act_energy=0.48 * u.eV * u.particle**-1, range=(280 * u.K, 568 * u.K), - isotope="H", + isotope="D", source="takagi_asymmetric_2003", note="Equation 6", ) From 9dffd254aabdb67064a09fcc1438e06f46d699f3 Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:56:13 -0600 Subject: [PATCH 066/123] Update h_transport_materials/property_database/palladium_copper.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium_copper.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 5d075a0b..6967999f 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -32,7 +32,7 @@ ) li_permeability_h = Permeability( - data_T=li_data_T * u.degC, + data_T=li_data_T, data_y=li_data_y, source="li_low_2023", isotope="H", From be45a5e51d24acdcfdc7abaa1c9b8fbcdf9b3b2b Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 07:56:22 -0600 Subject: [PATCH 067/123] Update h_transport_materials/property_database/palladium_copper.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/palladium_copper.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 6967999f..1adad200 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -14,7 +14,7 @@ 400, 425, ] -) # in degC +) * u.degC li_data_y = ( np.array( From db49fb3a02b49fcef50628451efafccd064cc1ae Mon Sep 17 00:00:00 2001 From: NATE GEHMLICH Date: Thu, 31 Aug 2023 09:17:17 -0600 Subject: [PATCH 068/123] Merge the two PdAg files - other changes --- h_transport_materials/material.py | 3 +- .../property_database/palladium.py | 6 +- .../property_database/palladium_copper.py | 4 +- .../property_database/palladium_silver.py | 118 ------------------ .../pdag/palladium_silver.py | 19 +++ 5 files changed, 25 insertions(+), 125 deletions(-) delete mode 100644 h_transport_materials/property_database/palladium_silver.py diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index 06bd557e..7aff11f6 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -148,7 +148,7 @@ class PalladiumAlloy(Alloy): FLINAK = MoltenSalt("flinak") LIPB = Alloy("lipb") LITHIUM = PureMetal("lithium", "Li") -PDAG = Alloy("pdag") +PDAG = PalladiumAlloy("pdag") ZIRCONIUM = PureMetal("zirconium", "Zr") YTTRIUM = PureMetal("yttrium", "Y") @@ -165,5 +165,4 @@ class PalladiumAlloy(Alloy): TZM = Alloy("tzm") -PD25AG = PalladiumAlloy("pd25ag") PD52CU = PalladiumAlloy("pd52cu") \ No newline at end of file diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index f08a7ada..5546b228 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -472,10 +472,10 @@ source="powell_surface_1991", ) -takagi_recombination_h = RecombinationCoeff( +takagi_recombination_d = RecombinationCoeff( pre_exp=1.5e-27 * u.m**4 * u.s**-1 * u.particle**-1, act_energy=0.48 * u.eV * u.particle**-1, - range=(280 * u.K, 568 * u.K), + range=(398 * u.K, 571 * u.K), isotope="D", source="takagi_asymmetric_2003", note="Equation 6", @@ -489,7 +489,7 @@ solubility_powell_d, diffusivity_powell_h, diffusivity_powell_d, - takagi_recombination_h, + takagi_recombination_d, ] for prop in properties: diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 1adad200..9f03549b 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -42,10 +42,10 @@ piper_diffusivity_h = Diffusivity( D_0=3e-3 * u.cm**2 * u.s**-1, E_D=2400 * u.cal * u.mol**-1, - range=((50 + 273.15) * u.K, (600 + 273.15) * u.K), + range=(u.Quantity(50, u.degC), u.Quantity(600, u.degC)), isotope="H", source="piper_diffusion_2004", - note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase", + note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper", ) properties = [ diff --git a/h_transport_materials/property_database/palladium_silver.py b/h_transport_materials/property_database/palladium_silver.py deleted file mode 100644 index baf5615a..00000000 --- a/h_transport_materials/property_database/palladium_silver.py +++ /dev/null @@ -1,118 +0,0 @@ -import h_transport_materials as htm -from h_transport_materials import ( - Permeability, - Diffusivity, - Solubility, - DissociationCoeff, - RecombinationCoeff, -) - -u = htm.ureg - -serra_permeability_h = Permeability( - pre_exp=5.58e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, - act_energy=6304 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Figure 2 or Equation 6", -) - -serra_permeability_d = Permeability( - pre_exp=3.43e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, - act_energy=6156 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Figure 2 or Equation 7", -) - -serra_diffusivity_h = Diffusivity( - D_0=3.07e-7 * u.m**2 * u.s**-1, - E_D=25902 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Figure 3 or Equation 6", -) - -serra_diffusivity_d = Diffusivity( - D_0=1.87e-7 * u.m**2 * u.s**-1, - E_D=24685 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Figure 3 or Equation 7", -) - -serra_solubility_h = Solubility( - S_0=0.182 * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=-19598 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Figure 4 or Equation 6", -) - -serra_solubility_d = Solubility( - S_0=0.184 * u.mol * u.m**-3 * u.Pa**-0.5, - E_S=-18531 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Figure 4 or Equation 7", -) - -serra_dissociation_h = DissociationCoeff( - pre_exp=1.7e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, - act_energy=26294 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Equation 8", -) - -serra_dissociation_d = DissociationCoeff( - pre_exp=1.3e-2 * u.mol * u.m**-2 * u.s**-1 * u.Pa**-1, - act_energy=24780 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Equation 9", -) - -serra_recombination_h = RecombinationCoeff( - pre_exp=0.51 * u.m**4 * u.s**-1 * u.mol**-1, - act_energy=65490 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="H", - source="serra_hydrogen_1998-2", - note="Equation 8", -) - -serra_recombination_d = RecombinationCoeff( - pre_exp=0.39 * u.m**4 * u.s**-1 * u.mol**-1, - act_energy=61842 * u.J * u.mol**-1, - range=(373 * u.K, 773 * u.K), - isotope="D", - source="serra_hydrogen_1998-2", - note="Equation 9", -) - -properties = [ - serra_permeability_h, - serra_permeability_d, - serra_diffusivity_h, - serra_diffusivity_d, - serra_solubility_h, - serra_solubility_d, - serra_dissociation_h, - serra_dissociation_d, - serra_recombination_h, - serra_recombination_d, -] - -for prop in properties: - prop.material = htm.PD25AG - -htm.database += properties \ No newline at end of file diff --git a/h_transport_materials/property_database/pdag/palladium_silver.py b/h_transport_materials/property_database/pdag/palladium_silver.py index 3d617349..56e4b5a4 100644 --- a/h_transport_materials/property_database/pdag/palladium_silver.py +++ b/h_transport_materials/property_database/pdag/palladium_silver.py @@ -114,6 +114,23 @@ note="equation 17 + probably an error in the units of the activation energy in the original paper", ) +serra_permeability_h = Permeability( + pre_exp=5.58e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6304 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="H", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 6", +) + +serra_permeability_d = Permeability( + pre_exp=3.43e-8 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=6156 * u.J * u.mol**-1, + range=(373 * u.K, 773 * u.K), + isotope="D", + source="serra_hydrogen_1998-2", + note="Figure 2 or Equation 7", +) properties = [ serra_diffusivity_h, serra_diffusivity_d, @@ -127,6 +144,8 @@ vadrucci_permeability_wt150, vadrucci_permeability_wt200, vadrucci_dissociation_h, + serra_permeability_h, + serra_permeability_d, ] for prop in properties: From 0db8b910efd080fc23fb608adc3cee8c88b5d4ae Mon Sep 17 00:00:00 2001 From: natethegreatINL <133147320+natethegreatINL@users.noreply.github.com> Date: Thu, 31 Aug 2023 09:21:30 -0600 Subject: [PATCH 069/123] Update palladium_copper.py --- h_transport_materials/property_database/palladium_copper.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index 9f03549b..ff5ee9e1 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -45,7 +45,7 @@ range=(u.Quantity(50, u.degC), u.Quantity(600, u.degC)), isotope="H", source="piper_diffusion_2004", - note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper", + note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper. These range values were found outside of the paper.", ) properties = [ @@ -56,4 +56,4 @@ for prop in properties: prop.material = htm.PD52CU -htm.database += properties \ No newline at end of file +htm.database += properties From 46f1c82d22a9fbb996e2a0febdd442674cdcfc16 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Thu, 31 Aug 2023 12:22:56 -0400 Subject: [PATCH 070/123] Update h_transport_materials/property_database/__init__.py --- h_transport_materials/property_database/__init__.py | 1 - 1 file changed, 1 deletion(-) diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index be0bd682..94d0a076 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -69,5 +69,4 @@ from . import tzm -from . import palladium_silver from . import palladium_copper \ No newline at end of file From 57b10eb67a627eae7b650e1acedfba16cfe77cbd Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 5 Sep 2023 14:52:11 -0400 Subject: [PATCH 071/123] added niobium data from Qi 1983 --- .../property_database/niobium.py | 43 +++++++++++++++++-- 1 file changed, 39 insertions(+), 4 deletions(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index cb639772..19198303 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -13,9 +13,8 @@ isotope="H", ) -# TODO issue #64 -qi_diffusivity = Diffusivity( - D_0=4.4e-8 * u.m**2 * u.s**-1, +qi_diffusivity_t = Diffusivity( + D_0=4.4e-4 * u.cm**2 * u.s**-1, E_D=0.133 * u.eV * u.particle**-1, range=( u.Quantity(-140, u.degC), @@ -25,6 +24,39 @@ isotope="T", ) +qi_diffusivity_d = Diffusivity( + D_0=5.2e-4 * u.cm**2 * u.s**-1, + E_D=0.127 * u.eV * u.particle**-1, + range=( + u.Quantity(-140, u.degC), + u.Quantity(100, u.degC), + ), + source="qi_tritium_1983", + isotope="D", +) + +qi_diffusivity_h_low_temp = Diffusivity( + D_0=5e-4 * u.cm**2 * u.s**-1, + E_D=0.106 * u.eV * u.particle**-1, + range=( + u.Quantity(-140, u.degC), + 250 * u.K, + ), + source="qi_tritium_1983", + isotope="H", +) + +qi_diffusivity_h_high_temp = Diffusivity( + D_0=0.9 * u.cm**2 * u.s**-1, + E_D=0.068 * u.eV * u.particle**-1, + range=( + 250 * u.K, + u.Quantity(100, u.degC), + ), + source="qi_tritium_1983", + isotope="H", +) + veleckis_solubility = Solubility( S_0=1.26e-1 * u.mol * u.m**-3 * u.Pa**-0.5, E_S=-35.3 * u.kJ * u.mol**-1, @@ -35,7 +67,10 @@ properties = [ volkl_diffusivity, - qi_diffusivity, + qi_diffusivity_t, + qi_diffusivity_d, + qi_diffusivity_h_low_temp, + qi_diffusivity_h_high_temp, veleckis_solubility, ] From 84505b9ad173a89393351212969d56e955e65799 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 5 Sep 2023 14:55:40 -0400 Subject: [PATCH 072/123] fixed low temp high temp --- h_transport_materials/property_database/niobium.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index 19198303..099e92cb 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -35,23 +35,23 @@ isotope="D", ) -qi_diffusivity_h_low_temp = Diffusivity( +qi_diffusivity_h_high_temp = Diffusivity( D_0=5e-4 * u.cm**2 * u.s**-1, E_D=0.106 * u.eV * u.particle**-1, range=( - u.Quantity(-140, u.degC), 250 * u.K, + u.Quantity(100, u.degC), ), source="qi_tritium_1983", isotope="H", ) -qi_diffusivity_h_high_temp = Diffusivity( +qi_diffusivity_h_low_temp = Diffusivity( D_0=0.9 * u.cm**2 * u.s**-1, E_D=0.068 * u.eV * u.particle**-1, range=( + u.Quantity(-140, u.degC), 250 * u.K, - u.Quantity(100, u.degC), ), source="qi_tritium_1983", isotope="H", From 440eaf426e23208d8465c45e19957e592ab6227c Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 5 Sep 2023 14:58:42 -0400 Subject: [PATCH 073/123] added tantalum --- .../property_database/tantalum.py | 54 ++++++++++++++++++- 1 file changed, 53 insertions(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/tantalum.py b/h_transport_materials/property_database/tantalum.py index 6d777c84..d272a189 100644 --- a/h_transport_materials/property_database/tantalum.py +++ b/h_transport_materials/property_database/tantalum.py @@ -19,7 +19,59 @@ source="veleckis_thermodynamic_1969", ) -properties = [volkl_diffusivity, veleckis_solubility] + +qi_diffusivity_h_low_temp = Diffusivity( + D_0=0.028 * u.cm**2 * u.s**-1, + E_D=0.042 * u.eV * u.particle**-1, + range=( + u.Quantity(-140, u.degC), + 250 * u.K, + ), + source="qi_tritium_1983", + isotope="H", +) + +qi_diffusivity_h_high_temp = Diffusivity( + D_0=4.2 * u.cm**2 * u.s**-1, + E_D=0.136 * u.eV * u.particle**-1, + range=( + 250 * u.K, + u.Quantity(100, u.degC), + ), + source="qi_tritium_1983", + isotope="H", +) + +qi_diffusivity_d = Diffusivity( + D_0=2.8 * u.cm**2 * u.s**-1, + E_D=0.153 * u.eV * u.particle**-1, + range=( + u.Quantity(-140, u.degC), + u.Quantity(100, u.degC), + ), + source="qi_tritium_1983", + isotope="D", +) + +qi_diffusivity_t = Diffusivity( + D_0=3.7 * u.cm**2 * u.s**-1, + E_D=0.162 * u.eV * u.particle**-1, + range=( + u.Quantity(-140, u.degC), + u.Quantity(100, u.degC), + ), + source="qi_tritium_1983", + isotope="T", +) + +properties = [ + volkl_diffusivity, + veleckis_solubility, + qi_diffusivity_h_low_temp, + qi_diffusivity_h_high_temp, + qi_diffusivity_d, + qi_diffusivity_t, +] for prop in properties: prop.material = htm.TANTALUM From 9a987be79027459be69d00be60ad8ff4102f250b Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 5 Sep 2023 15:08:15 -0400 Subject: [PATCH 074/123] correct temperature for tantalum H --- h_transport_materials/property_database/tantalum.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/tantalum.py b/h_transport_materials/property_database/tantalum.py index d272a189..c1456dba 100644 --- a/h_transport_materials/property_database/tantalum.py +++ b/h_transport_materials/property_database/tantalum.py @@ -24,7 +24,7 @@ D_0=0.028 * u.cm**2 * u.s**-1, E_D=0.042 * u.eV * u.particle**-1, range=( - u.Quantity(-140, u.degC), + u.Quantity(-180, u.degC), 250 * u.K, ), source="qi_tritium_1983", From d06f94fd0e88bedd0fcce690e8b4cf52945979c3 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 5 Sep 2023 15:10:32 -0400 Subject: [PATCH 075/123] fixed temperature niobium H --- h_transport_materials/property_database/niobium.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index 099e92cb..41eb1413 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -50,7 +50,7 @@ D_0=0.9 * u.cm**2 * u.s**-1, E_D=0.068 * u.eV * u.particle**-1, range=( - u.Quantity(-140, u.degC), + u.Quantity(-160, u.degC), 250 * u.K, ), source="qi_tritium_1983", From 0ecd001647a8e0ee3880bdeba2d035f7c5912287 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 5 Sep 2023 15:14:41 -0400 Subject: [PATCH 076/123] added vanadium --- .../property_database/vanadium.py | 34 ++++++++++++++++--- 1 file changed, 29 insertions(+), 5 deletions(-) diff --git a/h_transport_materials/property_database/vanadium.py b/h_transport_materials/property_database/vanadium.py index 8b878ecf..fa9a40a2 100644 --- a/h_transport_materials/property_database/vanadium.py +++ b/h_transport_materials/property_database/vanadium.py @@ -21,15 +21,37 @@ source="veleckis_thermodynamic_1969", ) -qi_diffusivity = Diffusivity( - D_0=5.6e-8 * u.m**2 * u.s**-1, - E_D=9.1 * u.kJ * u.mol**-1, +qi_diffusivity_h = Diffusivity( + D_0=3.1e-4 * u.cm**2 * u.s**-1, + E_D=0.045 * u.eV * u.particle**-1, range=( - u.Quantity(-150, u.degC), + u.Quantity(-130, u.degC), u.Quantity(200, u.degC), ), source="qi_tritium_1983", isotope="H", +) + +qi_diffusivity_d = Diffusivity( + D_0=3.8e-4 * u.cm**2 * u.s**-1, + E_D=0.073 * u.eV * u.particle**-1, + range=( + u.Quantity(-130, u.degC), + u.Quantity(200, u.degC), + ), + source="qi_tritium_1983", + isotope="D", +) + +qi_diffusivity_t = Diffusivity( + D_0=5.6e-4 * u.cm**2 * u.s**-1, + E_D=0.094 * u.eV * u.particle**-1, + range=( + u.Quantity(-130, u.degC), + u.Quantity(200, u.degC), + ), + source="qi_tritium_1983", + isotope="T", ) # TODO get data from experimental points, see issue #64 malo_permeability = Permeability( @@ -46,7 +68,9 @@ properties = [ volk_diffusivity, veleckis_solubility, - qi_diffusivity, + qi_diffusivity_h, + qi_diffusivity_d, + qi_diffusivity_t, malo_permeability, ] From 9fbed4c6ee1e475de0fc9c2c0d08b57ce6ffae56 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 6 Sep 2023 13:53:05 -0400 Subject: [PATCH 077/123] added job to workflow --- .github/workflows/ci.yml | 25 +++++++++++++++++++++++++ 1 file changed, 25 insertions(+) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 7ad83f1f..75928b75 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -45,3 +45,28 @@ jobs: chmod +x codecov ./codecov -t ${{ secrets.CODECOV_TOKEN }} + + check_unused_variables: + runs-on: ubuntu-latest + + steps: + - name: Checkout code + uses: actions/checkout@v2 + + - name: Set up Python + uses: actions/setup-python@v2 + with: + python-version: 3.x # Choose your desired Python version + + - name: Install vulture + run: pip install vulture + + - name: Check for unused variables + run: vulture h_transport_materials\property_database\ + + - name: Check vulture output + run: | + if [ -n "$(vulture h_transport_materials\property_database\ )" ]; then + echo "unused variable" + exit 1 + fi From 8e2c3de2686c722df79e01ded4749bc67d318a85 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 6 Sep 2023 13:55:47 -0400 Subject: [PATCH 078/123] forward slash --- .github/workflows/ci.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 75928b75..f97e533b 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -62,11 +62,11 @@ jobs: run: pip install vulture - name: Check for unused variables - run: vulture h_transport_materials\property_database\ + run: vulture h_transport_materials/property_database - name: Check vulture output run: | - if [ -n "$(vulture h_transport_materials\property_database\ )" ]; then + if [ -n "$(vulture h_transport_materials/property_database )" ]; then echo "unused variable" exit 1 fi From 3091f3c6e9d5f5e7f2fd4d76b335e890f584ea36 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 6 Sep 2023 13:57:16 -0400 Subject: [PATCH 079/123] commented out vulture step --- .github/workflows/ci.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index f97e533b..4555a083 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -61,8 +61,8 @@ jobs: - name: Install vulture run: pip install vulture - - name: Check for unused variables - run: vulture h_transport_materials/property_database + # - name: Check for unused variables + # run: vulture h_transport_materials/property_database - name: Check vulture output run: | From 930e771734ca4f8a5492c518b2dea455b11d9af2 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 6 Sep 2023 14:03:14 -0400 Subject: [PATCH 080/123] added continue-on-error flag --- .github/workflows/ci.yml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 4555a083..1a636639 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -61,8 +61,9 @@ jobs: - name: Install vulture run: pip install vulture - # - name: Check for unused variables - # run: vulture h_transport_materials/property_database + - name: Check for unused variables + continue-on-error: true + run: vulture h_transport_materials/property_database - name: Check vulture output run: | From e2b8bbcfd70bbf7453a5ae227e0bd5e6a097781e Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 6 Sep 2023 14:10:26 -0400 Subject: [PATCH 081/123] last step checks for unused variable --- .github/workflows/ci.yml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 1a636639..51394854 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -67,7 +67,8 @@ jobs: - name: Check vulture output run: | - if [ -n "$(vulture h_transport_materials/property_database )" ]; then - echo "unused variable" + vulture_output=$(vulture h_transport_materials/property_database) || true + if [[ $vulture_output == *"unused variable"* ]]; then + echo "Error: Unused variables found." exit 1 fi From 4093b3903d37546eb9b27d8349a91fabb2aad3b4 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 6 Sep 2023 14:13:36 -0400 Subject: [PATCH 082/123] removed unused variables --- h_transport_materials/property_database/alumina/alumina.py | 1 - h_transport_materials/property_database/niobium.py | 2 -- h_transport_materials/property_database/palladium.py | 3 --- h_transport_materials/property_database/vanadium.py | 2 -- 4 files changed, 8 deletions(-) diff --git a/h_transport_materials/property_database/alumina/alumina.py b/h_transport_materials/property_database/alumina/alumina.py index af67a65f..cae9e3fa 100644 --- a/h_transport_materials/property_database/alumina/alumina.py +++ b/h_transport_materials/property_database/alumina/alumina.py @@ -4,7 +4,6 @@ Solubility, Permeability, ) -from pathlib import Path import numpy as np u = htm.ureg diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index cb639772..eec4b1a9 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -3,8 +3,6 @@ u = htm.ureg -NIOBIUM_MOLAR_VOLUME = 1.08e-8 # m3/mol https://www.aqua-calc.com/calculate/mole-to-volume-and-weight/substance/niobium - volkl_diffusivity = Diffusivity( D_0=5.00e-8 * u.m**2 * u.s**-1, E_D=10.2 * u.kJ * u.mol**-1, diff --git a/h_transport_materials/property_database/palladium.py b/h_transport_materials/property_database/palladium.py index 5546b228..39b1a2c3 100644 --- a/h_transport_materials/property_database/palladium.py +++ b/h_transport_materials/property_database/palladium.py @@ -4,9 +4,6 @@ u = htm.ureg -PALLADIUM_MOLAR_VOLUME = ( - 8.85e-6 * u.m**3 * u.mol**-1 -) # m3/mol https://www.aqua-calc.com/calculate/mole-to-volume-and-weight/palladium PALLADIUM_VOLUMIC_DENSITY = ( 8.32e-8 * u.m**3 diff --git a/h_transport_materials/property_database/vanadium.py b/h_transport_materials/property_database/vanadium.py index 8b878ecf..f2faaee0 100644 --- a/h_transport_materials/property_database/vanadium.py +++ b/h_transport_materials/property_database/vanadium.py @@ -1,8 +1,6 @@ import h_transport_materials as htm from h_transport_materials import Diffusivity, Solubility, Permeability -VANADIUM_MOLAR_VOLUME = 8.34e-6 # m3/mol https://www.aqua-calc.com/calculate/mole-to-volume-and-weight/substance/vanadium - u = htm.ureg volk_diffusivity = Diffusivity( From 804a342542a4a8e2446f184fdaa1ec8e79cb1dab Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 6 Sep 2023 14:20:11 -0400 Subject: [PATCH 083/123] only run on push --- .github/workflows/ci.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 51394854..d4efc1ac 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -2,7 +2,6 @@ name: CI on: - push - - pull_request permissions: contents: read From c58b52369fdb943e86993d3e425007ad452f92e8 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 7 Sep 2023 10:20:54 -0400 Subject: [PATCH 084/123] address comments --- h_transport_materials/property_database/niobium.py | 6 +++++- h_transport_materials/property_database/tantalum.py | 12 ++++++++---- 2 files changed, 13 insertions(+), 5 deletions(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index 2486a84e..eb70afac 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -19,6 +19,7 @@ u.Quantity(100, u.degC), ), source="qi_tritium_1983", + note="table 1", isotope="T", ) @@ -30,6 +31,7 @@ u.Quantity(100, u.degC), ), source="qi_tritium_1983", + note="table 1", isotope="D", ) @@ -41,17 +43,19 @@ u.Quantity(100, u.degC), ), source="qi_tritium_1983", + note="table 1", isotope="H", ) qi_diffusivity_h_low_temp = Diffusivity( - D_0=0.9 * u.cm**2 * u.s**-1, + D_0=0.9e-4 * u.cm**2 * u.s**-1, E_D=0.068 * u.eV * u.particle**-1, range=( u.Quantity(-160, u.degC), 250 * u.K, ), source="qi_tritium_1983", + note="table 1", isotope="H", ) diff --git a/h_transport_materials/property_database/tantalum.py b/h_transport_materials/property_database/tantalum.py index c1456dba..9a1981c2 100644 --- a/h_transport_materials/property_database/tantalum.py +++ b/h_transport_materials/property_database/tantalum.py @@ -21,45 +21,49 @@ qi_diffusivity_h_low_temp = Diffusivity( - D_0=0.028 * u.cm**2 * u.s**-1, + D_0=0.028e-4 * u.cm**2 * u.s**-1, E_D=0.042 * u.eV * u.particle**-1, range=( u.Quantity(-180, u.degC), 250 * u.K, ), + note="table 1", source="qi_tritium_1983", isotope="H", ) qi_diffusivity_h_high_temp = Diffusivity( - D_0=4.2 * u.cm**2 * u.s**-1, + D_0=4.2e-4 * u.cm**2 * u.s**-1, E_D=0.136 * u.eV * u.particle**-1, range=( 250 * u.K, u.Quantity(100, u.degC), ), + note="table 1", source="qi_tritium_1983", isotope="H", ) qi_diffusivity_d = Diffusivity( - D_0=2.8 * u.cm**2 * u.s**-1, + D_0=3.8e-4 * u.cm**2 * u.s**-1, E_D=0.153 * u.eV * u.particle**-1, range=( u.Quantity(-140, u.degC), u.Quantity(100, u.degC), ), + note="table 1", source="qi_tritium_1983", isotope="D", ) qi_diffusivity_t = Diffusivity( - D_0=3.7 * u.cm**2 * u.s**-1, + D_0=3.7e-4 * u.cm**2 * u.s**-1, E_D=0.162 * u.eV * u.particle**-1, range=( u.Quantity(-140, u.degC), u.Quantity(100, u.degC), ), + note="table 1", source="qi_tritium_1983", isotope="T", ) From 20e0822fb67e944c78ffe278524fcf02c83d5f3e Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 7 Sep 2023 16:06:10 -0400 Subject: [PATCH 085/123] added notes for temperature range inconsistency --- h_transport_materials/property_database/niobium.py | 8 ++++---- h_transport_materials/property_database/tantalum.py | 8 ++++---- h_transport_materials/property_database/vanadium.py | 3 +++ 3 files changed, 11 insertions(+), 8 deletions(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index eb70afac..1d7958d1 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -19,7 +19,7 @@ u.Quantity(100, u.degC), ), source="qi_tritium_1983", - note="table 1", + note="table 1, temperature range from Fig 1", isotope="T", ) @@ -31,7 +31,7 @@ u.Quantity(100, u.degC), ), source="qi_tritium_1983", - note="table 1", + note="table 1, temperature range from Fig 1", isotope="D", ) @@ -43,7 +43,7 @@ u.Quantity(100, u.degC), ), source="qi_tritium_1983", - note="table 1", + note="table 1, temperature range from Fig 1", isotope="H", ) @@ -55,7 +55,7 @@ 250 * u.K, ), source="qi_tritium_1983", - note="table 1", + note="table 1, temperature range from Fig 1", isotope="H", ) diff --git a/h_transport_materials/property_database/tantalum.py b/h_transport_materials/property_database/tantalum.py index 9a1981c2..6b19ba2d 100644 --- a/h_transport_materials/property_database/tantalum.py +++ b/h_transport_materials/property_database/tantalum.py @@ -27,7 +27,7 @@ u.Quantity(-180, u.degC), 250 * u.K, ), - note="table 1", + note="table 1, temperature range from Fig 1", source="qi_tritium_1983", isotope="H", ) @@ -39,7 +39,7 @@ 250 * u.K, u.Quantity(100, u.degC), ), - note="table 1", + note="table 1, temperature range from Fig 1", source="qi_tritium_1983", isotope="H", ) @@ -51,7 +51,7 @@ u.Quantity(-140, u.degC), u.Quantity(100, u.degC), ), - note="table 1", + note="table 1, temperature range from Fig 1", source="qi_tritium_1983", isotope="D", ) @@ -63,7 +63,7 @@ u.Quantity(-140, u.degC), u.Quantity(100, u.degC), ), - note="table 1", + note="table 1, temperature range from Fig 1", source="qi_tritium_1983", isotope="T", ) diff --git a/h_transport_materials/property_database/vanadium.py b/h_transport_materials/property_database/vanadium.py index 9ae9422a..70e72828 100644 --- a/h_transport_materials/property_database/vanadium.py +++ b/h_transport_materials/property_database/vanadium.py @@ -27,6 +27,7 @@ u.Quantity(200, u.degC), ), source="qi_tritium_1983", + note="table 1, temperature range from Fig 1", isotope="H", ) @@ -38,6 +39,7 @@ u.Quantity(200, u.degC), ), source="qi_tritium_1983", + note="table 1, temperature range from Fig 1", isotope="D", ) @@ -49,6 +51,7 @@ u.Quantity(200, u.degC), ), source="qi_tritium_1983", + note="table 1, temperature range from Fig 1", isotope="T", ) # TODO get data from experimental points, see issue #64 From ba4c687defa34d3de64acbfb42c4b586816e3bf4 Mon Sep 17 00:00:00 2001 From: Paul Date: Tue, 9 Jan 2024 17:31:18 +0900 Subject: [PATCH 086/123] added guthrie Mo data --- h_transport_materials/_version.py | 16 + .../property_database/molybdenum.py | 2 + h_transport_materials/references.bib | 15 + out.bib | 6 + out.json | 13416 ++++++++++++++++ 5 files changed, 13455 insertions(+) create mode 100644 h_transport_materials/_version.py create mode 100644 out.bib create mode 100644 out.json diff --git a/h_transport_materials/_version.py b/h_transport_materials/_version.py new file mode 100644 index 00000000..26a3742f --- /dev/null +++ b/h_transport_materials/_version.py @@ -0,0 +1,16 @@ +# file generated by setuptools_scm +# don't change, don't track in version control +TYPE_CHECKING = False +if TYPE_CHECKING: + from typing import Tuple, Union + VERSION_TUPLE = Tuple[Union[int, str], ...] +else: + VERSION_TUPLE = object + +version: str +__version__: str +__version_tuple__: VERSION_TUPLE +version_tuple: VERSION_TUPLE + +__version__ = version = '0.1.dev1028+g6c1a840.d20240109' +__version_tuple__ = version_tuple = (0, 1, 'dev1028', 'g6c1a840.d20240109') diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index 0a18c067..d6531fa3 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -49,6 +49,8 @@ source="frauenfelder_permeation_1968", ) +guthrie_p_0 = 3.8e-3 * u.ccSTP * u.cm**-1 * u.s**-1 * u.atm**-0.5 + properties = [ tanabe_diffusivity, katsuta_diffusivity, diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 1d8f8fe4..3639df6d 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2606,3 +2606,18 @@ @article{piper_diffusion_2004 url = {https://doi.org/10.1063/1.1708243}, eprint = {https://pubs.aip.org/aip/jap/article-pdf/37/2/715/7937414/715\_1\_online.pdf}, } + +@article{Guthrie1974, +abstract = {Interference microscopy and scanning electron microscopy have been used to measure mechanical effects of tritium decay and 3He accumulation in thin film tritides of Sc, Ti, Y, Ho, and Er, all of which exhibit thickness increase of 2-4% y-1, followed by the development of bubbles and craters and the occurrence of significant mechanical film failure. Scandium and erbium deuterotritide films have been subjected to 20 keV N2+ ion bombardment in an ion microprobe mass analyzer to produce sputter ion species characteristic not only of the original film (e.g., M+, MO+, MD+, MT+) but also of compounds formed during the sputtering operation (e.g., ScN+). Hydrogen isotope permeation has been measured for the homogeneous metals Cu, Ceramvar and Mo, for a Ceramvar-copper-Ceramvar laminate, and for tin-coated Rodar. Measured permeation rates through the laminate are significantly less than those predicted from the permeabilities of its individual constituents. Permeation rates of deuterium through Mo exhibit a somewhat lower activation energy than has been reported in the literature. {\textcopyright} 1974.}, +author = {Guthrie, J.W. and Beavis, L.C. and Begeal, D.R. and Perkins, W.G.}, +doi = {10.1016/0022-3115(74)90263-3}, +issn = {00223115}, +journal = {Journal of Nuclear Materials}, +month = {sep}, +number = {C}, +pages = {313--322}, +title = {{Properties of hydride-forming metals and of multilayer hydrogen permeation barriers}}, +url = {https://linkinghub.elsevier.com/retrieve/pii/0022311574902633}, +volume = {53}, +year = {1974} +} diff --git a/out.bib b/out.bib new file mode 100644 index 00000000..1ef3f976 --- /dev/null +++ b/out.bib @@ -0,0 +1,6 @@ +@article{article-minimal, + author = "Lamport, L[eslie] B.", + title = "The Gnats and Gnus Document Preparation System", + journal = "G-Animal's Journal", + year = "1986" +} diff --git a/out.json b/out.json new file mode 100644 index 00000000..9adc4c6a --- /dev/null +++ b/out.json @@ -0,0 +1,13416 @@ +{ + "data": [ + { + "range": { + "value": [ + 299.55148146300405, + 869.3388009023356 + ], + "units": "kelvin" + }, + "material": "aluminium", + "source": "young_diffusion_1998", + "year": 1998, + "isotope": "H", + "author": "young", + "note": null, + "doi": "10.1016/S1359-6454(98)00333-4", + "type": "Diffusivity", + "pre_exp": { + "value": 1.8041704024795446e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.16844581001736417, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 869.3388009023356, + 861.4848446980742, + 759.9611312758495, + 758.672552304325, + 664.5518777825778, + 663.1691458092098, + 566.6227294451428, + 566.6848320815434, + 470.2908382539093, + 470.4239590573072, + 373.4598430599891, + 373.4808248341122, + 300.48575584351846, + 299.55148146300405 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 2.215762625056184e-09, + 2.110607919873128e-09, + 2.115603036199355e-09, + 1.0178236257253731e-09, + 9.603445001752723e-10, + 7.711074337012844e-10, + 6.369062045987333e-10, + 5.706998149825754e-10, + 2.727278876384335e-10, + 1.938339689395042e-10, + 8.847610190668093e-11, + 8.1236474025553e-11, + 3.368442418645013e-11, + 3.018779391531447e-11 + ], + "units": "meter ** 2 / second" + } + }, + { + "range": { + "value": [ + 723, + 873 + ], + "units": "kelvin" + }, + "material": "aluminium", + "source": "Ransley, C.E., Neufeld, H., 1948. J. Inst. Met. 74, 599\u2013620", + "year": 1948, + "isotope": "H", + "author": "ransley", + "note": null, + "doi": null, + "type": "Solubility", + "pre_exp": { + "value": 1.39713665632e+22, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.4114615053536083, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 630, + 870 + ], + "units": "kelvin" + }, + "material": "aluminium", + "source": "eichenauer_notitle_1961", + "year": 1961, + "isotope": "H", + "author": "eichenauer", + "note": "could not find the original paper, found in DOI:10.2172/5277693", + "doi": null, + "type": "Permeability", + "pre_exp": { + "value": 2.2884134888e+18, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 1.6286129999999999, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 670, + 870 + ], + "units": "kelvin" + }, + "material": "aluminium", + "source": "cochran_permeability_1961", + "year": 1961, + "isotope": "H", + "author": "cochran", + "note": "the units given in the original paper are odd. 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562.7025656810735, + 766.2534882939021 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "serra_hydrogen_1998", + "year": 1998, + "isotope": "H", + "author": "serra", + "note": "Serra equation doesn't match the experimental points on their graph\n Serra gives D_0=5.7e-7 m2/s and E_D = 41220 J/mol \nITER also gives a diffusivity but they adapted it from the wrong equations...", + "doi": "10.1016/S0022-3115(98)00276-1", + "type": "Diffusivity", + "pre_exp": { + "value": 5.838078601525811e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.40427217296755136, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 766.2534882939021, + 766.2260086831589, + 733.1249530876377, + 734.7321476546128, + 692.4085757977781, + 649.5478754230058, + 650.2249189245737, + 607.2163813116915, + 608.9274867697065, + 563.2551410969761, + 562.7025656810735 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 1.2940216835459104e-09, + 1.1625998590752453e-09, + 1.0179324809152833e-09, + 9.393199952901895e-10, + 6.295055574415647e-10, + 3.9464242588900155e-10, + 4.888947549116067e-10, + 2.7542732270825266e-10, + 3.457885417468183e-10, + 1.615782876952706e-10, + 9.458832442447677e-11 + ], + "units": "meter ** 2 / second" + } + }, + { + "range": { + "value": [ + 562.2028454475635, + 764.3551715733953 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "serra_hydrogen_1998", + "year": 1998, + "isotope": "D", + "author": "serra", + "note": "Serra equation doesn't match the experimental points on their graph\n Serra gives D_0=4.8e-7 m2/s and E_D = 40370 J/mol \nITER also gives a diffusivity but they adapted it from the wrong equations...", + "doi": "10.1016/S0022-3115(98)00276-1", + "type": "Diffusivity", + "pre_exp": { + "value": 4.590005091854383e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.4106694621369968, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 763.5152489753984, + 764.3551715733953, + 732.2267369507804, + 732.1859612373713, + 690.930753823486, + 693.1217521243616, + 648.8648507061823, + 650.1235197127573, + 607.6956442131124, + 563.2031750686597, + 562.2028454475635 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 9.137192559519588e-10, + 7.78099034014563e-10, + 6.997460165552456e-10, + 5.879759902695161e-10, + 5.361108246332019e-10, + 5.966682861143437e-10, + 3.0602043862750325e-10, + 2.823872136507755e-10, + 1.70096452442383e-10, + 1.1106916176377249e-10, + 8.05529723584199e-11 + ], + "units": "meter ** 2 / second" + } + }, + { + "range": { + "value": [ + 573, + 873 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "noh_hydrogen-isotope_2016", + "year": 2016, + "isotope": "T", + "author": "noh", + "note": null, + "doi": "10.1016/j.jnucmat.2016.01.035", + "type": "Diffusivity", + "pre_exp": { + "value": 0.000505, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.964, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 700, + 800 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "anderl_deuterium_1999", + "year": 1999, + "isotope": "D", + "author": "anderl", + "note": null, + "doi": "10.1016/S0022-3115(98)00878-2", + "type": "Diffusivity", + "pre_exp": { + "value": 0.02, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 1.2, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 593, + 773 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "penalva_interaction_2012", + "year": 2012, + "isotope": "D", + "author": "pe\u00f1alva", + "note": null, + "doi": "10.5772/34469", + "type": "Diffusivity", + "pre_exp": { + "value": 3.55e-05, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.6788596624851725, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 562.3262163014092, + 765.9685676934168 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "serra_hydrogen_1998", + "year": 1998, + "isotope": "H", + "author": "serra", + "note": null, + "doi": "10.1016/S0022-3115(98)00276-1", + "type": "Solubility", + "pre_exp": { + "value": 5.083278646995115e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.39680211938829585, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 764.9790658063649, + 765.9685676934168, + 733.3558362838531, + 732.4790140686653, + 691.3187546443031, + 650.3362714627808, + 649.607957247708, + 608.3421584168419, + 606.4886010324534, + 562.3407090855021, + 562.3262163014092 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 1.4900489129079902e+21, + 1.3251256550885745e+21, + 1.0317296780835964e+21, + 9.174849674768629e+20, + 6.539234088786488e+20, + 3.182583849590736e+20, + 4.14397699057239e+20, + 1.873826097490821e+20, + 2.2342247057055626e+20, + 1.638523906586322e+20, + 1.9826908651696996e+20 + ], + "units": 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5.1719189517513844e+20, + 4.876711866080343e+20, + 5.013999701272734e+20, + 3.7395536739822155e+20, + 2.4043481965111686e+20, + 2.2016369045348336e+20, + 1.2583901247843688e+20, + 1.76314503943106e+20 + ], + "units": "particle / meter ** 3 / pascal ** 0.5" + } + }, + { + "range": { + "value": [ + 573, + 873 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "noh_hydrogen-isotope_2016", + "year": 2016, + "isotope": "T", + "author": "noh", + "note": null, + "doi": "10.1016/j.jnucmat.2016.01.035", + "type": "Solubility", + "pre_exp": { + "value": 7.83e+20, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.0715, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 573, + 873 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "noh_hydrogen-isotope_2016", + "year": 2016, + "isotope": "T", + "author": "noh", + "note": null, + "doi": "10.1016/j.jnucmat.2016.01.035", + "type": "Solubility", + "pre_exp": { + "value": 5.42e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.4, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 593, + 773 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "penalva_interaction_2012", + "year": 2012, + "isotope": "D", + "author": "pe\u00f1alva", + "note": null, + "doi": "10.5772/34469", + "type": "Solubility", + "pre_exp": { + "value": 4.04085644996e+21, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.08705986511260226, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 700.0, + 800.0 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "anderl_deuterium_1999", + "year": 1999, + "isotope": "D", + "author": "anderl", + "note": null, + "doi": "10.1016/S0022-3115(98)00878-2", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 2.9e-14, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 1.92, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 573.15, + 823.15 + ], + "units": "kelvin" + }, + "material": "cucrzr", + "source": "houben_comparison_2022", + "year": 2022, + "isotope": "D", + "author": "houben", + "note": null, + "doi": "10.1016/j.nme.2022.101256", + "type": "Permeability", + "pre_exp": { + "value": 3.613284456e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.8187773028447117, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 473.29011091296996, + 673.5809399520613 + ], + "units": "kelvin" + }, + "material": "eurofer_97", + "source": "aiello_hydrogen_2002", + "year": 2002, + "isotope": "H", + "author": "aiello", + "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", + "doi": "10.13182/FST41-872", + "type": "Permeability", + "pre_exp": { + "value": 2.601132329083713e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.42140876761651697, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 673.5809399520613, + 622.9481351645586, + 572.9793957921338, + 523.0227898249071, + 473.29011091296996 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 16763435266186.771, + 10920697969443.943, + 5302252204203.221, + 2294488810165.731, + 813702989068.3785 + ], + "units": "particle / meter / pascal ** 0.5 / second" + } + }, + { + "range": { + "value": [ + 473.01656746145966, + 723.9969549158373 + ], + "units": "kelvin" + }, + "material": "eurofer_97", + "source": "aiello_hydrogen_2002", + "year": 2002, + "isotope": "D", + "author": "aiello", + "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", + "doi": "10.13182/FST41-872", + "type": "Permeability", + "pre_exp": { + "value": 8868783008202101.0, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.3943312836382712, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 723.9969549158373, + 673.9632545931759, + 623.6649240092052, + 572.8899114550652, + 522.9535531993432, + 473.01656746145966 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 15704410541619.72, + 10334980669083.387, + 5872555832048.233, + 2942761789775.852, + 1328144516107.7012, + 581243820141.115 + ], + "units": "particle / meter / pascal ** 0.5 / second" + } + }, + { + "range": { + "value": [ + 621.5333450503459, + 720.7766360335854 + ], + "units": "kelvin" + }, + "material": "eurofer_97", + "source": "aiello_hydrogen_2002", + "year": 2002, + "isotope": "H", + "author": "aiello", + "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", + "doi": "10.13182/FST41-872", + "type": "Diffusivity", + "pre_exp": { + "value": 6.86248092825134e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.10565759951922113, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 720.7766360335854, + 671.9853631801034, + 621.5333450503459 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 1.3174768787553944e-08, + 1.0082588706320899e-08, + 9.956587158097558e-09 + ], + "units": "meter ** 2 / second" + } + }, + { + "range": { + "value": [ + 622.9995921883286, + 722.2636400530112 + ], + "units": "kelvin" + }, + "material": "eurofer_97", + "source": "aiello_hydrogen_2002", + "year": 2002, + "isotope": "D", + "author": "aiello", + "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", + "doi": "10.13182/FST41-872", + "type": "Diffusivity", + "pre_exp": { + "value": 9.510227208516091e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.12386182717870785, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 722.2636400530112, + 671.8468843117639, + 622.9995921883286 + ], + "units": 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"particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.20835291289983848, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 373, + 773 + ], + "units": "kelvin" + }, + "material": "pdag", + "source": "serra_hydrogen_1998-2", + "year": 1998, + "isotope": "H", + "author": "serra", + "note": "Figure 2 or Equation 6", + "doi": "10.1007/s11661-998-1011-3", + "type": "Permeability", + "pre_exp": { + "value": 3.3603545440799996e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.06533635591307675, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 373, + 773 + ], + "units": "kelvin" + }, + "material": "pdag", + "source": "serra_hydrogen_1998-2", + "year": 1998, + "isotope": "D", + "author": "serra", + "note": "Figure 2 or Equation 7", + "doi": "10.1007/s11661-998-1011-3", + "type": "Permeability", + "pre_exp": { + "value": 2.06559428068e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.06380244400394995, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 548, + 973 + ], + "units": "kelvin" + }, + "material": "zirconium", + "source": "kearns_diffusion_1972", + "year": 1972, + "isotope": "H", + "author": "kearns", + "note": null, + "doi": "10.1016/0022-3115(72)90065-7", + "type": "Diffusivity", + "pre_exp": { + "value": 7.73e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.4696332489387041, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 602, + 1069 + ], + "units": "kelvin" + }, + "material": "zirconium", + "source": "kearns_terminal_1967", + "year": 1967, + "isotope": "H", + "author": "kearns", + "note": "this was found in Shimada 2020 review 'Tritium Transport in Fusion Reactor Materials'however, I can't find this activation energy in Kearns paper", + "doi": "10.1016/0022-3115(67)90047-5", + "type": "Solubility", + "pre_exp": { + "value": 2.5895205268e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": -0.5130313479849776, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 872.62912452734, + 1048.7287131478972 + ], + "units": "kelvin" + }, + "material": "zirconium", + "source": "yamanaka_effect_1989", + "year": 1989, + "isotope": "H", + "author": "yamanaka", + "note": null, + "doi": "10.1016/0022-3115(89)90446-7", + "type": "Solubility", + "pre_exp": { + "value": 3.355986827215803e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": -0.5541820830913079, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 1048.7287131478972, + 1023.3430322136861, + 999.1382887355372, + 973.1314181543121, + 947.9710396547486, + 923.2104327249714, + 898.0345801455298, + 872.62912452734 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 1.5745015859070098e+26, + 1.7846469783434182e+26, + 2.099307493623344e+26, + 2.4600206702940977e+26, + 2.9585121295871072e+26, + 3.505464858771197e+26, + 4.342324207653759e+26, + 5.3985517630424875e+26 + ], + "units": "particle / meter ** 3 / pascal ** 0.5" + } + }, + { + "range": { + "value": [ + 673, + 1473 + ], + "units": "kelvin" + }, + "material": "beryllium", + "source": "Shapovalov, V.I., Dukel'skii, Y.M., 1988. Izv. Akad. Nauk SSR Met. 5, 201\u2013203", + "year": 1988, + "isotope": "H", + "author": "shapovalov", + "note": "couldn't find the original paper so took values from Shimada 2020 review", + "doi": null, + "type": "Solubility", + "pre_exp": { + "value": 1.1442067444e+22, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.17411973022520452, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 620, + 775 + ], + "units": "kelvin" + }, + "material": "beryllium", + "source": "abramov_deuterium_1990", + "year": 1990, + "isotope": "D", + "author": "abramov", + "note": null, + "doi": "10.1016/0022-3115(90)90274-Q", + "type": "Diffusivity", + "pre_exp": { + "value": 8e-09, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.3637858649348023, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 400, + 900 + ], + "units": "kelvin" + }, + "material": "beryllium", + "source": "jones_hydrogen_1967", + "year": 1967, + "isotope": "T", + "author": "jones", + "note": "Jones also gives a solubility but the units are weird", + "doi": "10.1016/0022-3115(67)90190-0", + "type": "Diffusivity", + "pre_exp": { + "value": 1.4590058497868585e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.08315405, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 333, + 800 + ], + "units": "kelvin" + }, + "material": "beryllium", + "source": "dolan_assessment_1994", + "year": 1994, + "isotope": "H", + "author": "dolan", + "note": "Comes from a review (p. 14). The data from Hsu 1990 https://doi.org/10.1016/0022-3115(90)90049-S (range taking from them) seems to have been used by the PERI code to extract D/2kr then using D from another source Dolan obtained Kr.", + "doi": "10.2172/10191406", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.46e-29, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.214, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 900, + 1473 + ], + "units": "kelvin" + }, + "material": "carbon", + "source": "causey_interaction_1989", + "year": 1989, + "isotope": "H", + "author": "causey", + "note": null, + "doi": "10.1016/0022-3115(89)90265-1", + "type": "Diffusivity", + "pre_exp": { + "value": 9.3e-05, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 2.8, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 773.15, + 1173.15 + ], + "units": "kelvin" + }, + "material": "carbon", + "source": "atsumi_absorption_1988", + "year": 1988, + "isotope": "D", + "author": "atsumi", + "note": "Equation 5 of Atsumi's paper", + "doi": "10.1016/0022-3115(88)90247-4", + "type": "Diffusivity", + "pre_exp": { + "value": 0.00016900000000000002, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 2.6014316837218057, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 1123.15, + 1323.15 + ], + "units": "kelvin" + }, + "material": "carbon", + "source": "atsumi_absorption_1988", + "year": 1988, + "isotope": "H", + "author": "atsumi", + "note": null, + "doi": "10.1016/0022-3115(88)90247-4", + "type": "Solubility", + "pre_exp": { + "value": 1.1442067444e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": -0.19899397740023372, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 773, + 1273 + ], + "units": "kelvin" + }, + "material": "gold", + "source": "eichenauer_messung_1962", + "year": 1962, + "isotope": "H", + "author": "eichenauer", + "note": null, + "doi": null, + "type": "Diffusivity", + "pre_exp": { + "value": 5.6e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.2445967638877873, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 773, + 873 + ], + "units": "kelvin" + }, + "material": "gold", + "source": "shimada_608_2020", + "year": 2020, + "isotope": "H", + "author": "shimada", + "note": "this was computed from the permeability of Caskey and Derrick and the diffusivity of Eichenauer", + "doi": "10.1016/B978-0-12-803581-8.11754-0", + "type": "Solubility", + "pre_exp": { + "value": 4.6972697928e+25, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 1.0302084038324602, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 966.15, + 1323.15 + ], + "units": "kelvin" + }, + "material": "gold", + "source": "mclellan_solid_1973", + "year": 1973, + "isotope": "H", + "author": "mclellan", + "note": null, + "doi": "10.1016/S0022-3697(73)80022-8", + "type": "Solubility", + "pre_exp": { + "value": 1.9719039367866987e+24, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.2852967882616541, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 1323.15, + 1270.15, + 1221.15, + 1212.15, + 1183.15, + 1151.15, + 1111.15, + 1078.15, + 1066.15, + 1050.15, + 1008.15, + 966.15 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 1.6885610366274507e+23, + 1.4819189517254898e+23, + 1.3166052838039213e+23, + 1.1394834967450977e+23, + 1.1571956754509803e+23, + 1.1571956754509803e+23, + 9.800738883921567e+22, + 9.800738883921567e+22, + 9.800738883921567e+22, + 7.675277439215685e+22, + 7.498155652156862e+22, + 6.2583031427450974e+22 + ], + "units": "particle / meter ** 3 / pascal ** 0.5" + } + }, + { + "range": { + "value": [ + 573, + 1073 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "volkl_5_1975", + "year": 1975, + "isotope": "H", + "author": "v\u00f6lkl", + "note": null, + "doi": "10.1016/B978-0-12-522660-8.50010-6", + "type": "Diffusivity", + "pre_exp": { + "value": 4e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.046639213453179784, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 500, + 1000 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "tahara_measurements_1985", + "year": 1985, + "isotope": "H", + "author": "tahara", + "note": null, + "doi": "10.2320/matertrans1960.26.869", + "type": "Diffusivity", + "pre_exp": { + "value": 4.43e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.05493062917818952, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 500, + 1000 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "tahara_measurements_1985", + "year": 1985, + "isotope": "D", + "author": "tahara", + "note": null, + "doi": "10.2320/matertrans1960.26.869", + "type": "Diffusivity", + "pre_exp": { + "value": 4.28e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.06705682467601626, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 473, + 1183 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "eichenauer_diffusion_1958", + "year": 1958, + "isotope": "H", + "author": "eichenauer", + "note": null, + "doi": "10.1515/ijmr-1958-490502", + "type": "Solubility", + "pre_exp": { + "value": 4.161987267136812e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.2518517526471708, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873.15, + 1173.15 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "nagasaki_ion-driven_1993", + "year": 1993, + "isotope": "D", + "author": "nagasaki", + "note": "gamma iron, Nagasaki also gives an equivalent form for the recombination coefficient. Here we take the Arrhenius one (Eq. 9)", + "doi": "10.1016/0022-3115(93)90392-C", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.26e-25, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.40627937052547725, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 1173.15, + 1323.15 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "nagasaki_ion-driven_1993", + "year": 1993, + "isotope": "D", + "author": "nagasaki", + "note": "gamma iron, Nagasaki also gives an equivalent form for the recombination coefficient. Here we take the Arrhenius one (Eq. 9)", + "doi": "10.1016/0022-3115(93)90392-C", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 9.93e-28, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.8167044489134593, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 298.15, + 318.15 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "addach_hydrogen_2005", + "year": 2005, + "isotope": "H", + "author": "addach", + "note": null, + "doi": "10.1016/j.matlet.2004.12.037", + "type": "Diffusivity", + "pre_exp": { + "value": 1.02e-10, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.20313968526273862, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 473.15, + 1123.15 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "masui_hydrogen_1978", + "year": 1978, + "isotope": "H", + "author": "masui", + "note": "alpha phase", + "doi": "10.2355/tetsutohagane1955.64.5_615", + "type": "Permeability", + "pre_exp": { + "value": 2.4687961566187948e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.35515201374034966, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 1203.15, + 1273.15 + ], + "units": "kelvin" + }, + "material": "iron", + "source": "masui_hydrogen_1978", + "year": 1978, + "isotope": "H", + "author": "masui", + "note": "gamma phase", + "doi": "10.2355/tetsutohagane1955.64.5_615", + "type": "Permeability", + "pre_exp": { + "value": 3.5611838365386157e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.7328533616864358, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "hastelloy_x", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Diffusivity", + "pre_exp": { + "value": 4.9e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.45, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "hastelloy_x", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Solubility", + "pre_exp": { + "value": 1.0264822710484125e+24, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.22, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "hastelloy_x", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Permeability", + "pre_exp": { + "value": 5.007230590480062e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.67, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 1073.15, + 1273.15 + ], + "units": "kelvin" + }, + "material": "hastelloy_x", + "source": "masui_hydrogen_1978", + "year": 1978, + "isotope": "H", + "author": "masui", + "note": null, + "doi": "10.2355/tetsutohagane1955.64.5_615", + "type": "Permeability", + "pre_exp": { + "value": 5.003135574032779e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.6938256678688149, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 666.6666666666666, + 714.2857142857143 + ], + "units": "kelvin" + }, + "material": "hastelloy_n", + "source": "webb_permeation_1965", + "year": 1965, + "isotope": "H", + "author": "webb", + "note": "Table 1", + "doi": "10.2172/4583045", + "type": "Permeability", + "pre_exp": { + "value": 4.396757077456207e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.5984246385368529, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673.15, + 1073.15 + ], + "units": "kelvin" + }, + "material": "hastelloy_n", + "source": "zhang_diffusion_2020", + "year": 2020, + "isotope": "H", + "author": "zhang", + "note": null, + "doi": "10.1080/15361055.2020.1725368", + "type": "Permeability", + "pre_exp": { + "value": 1.50553519e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.6246545321829212, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673.15, + 1073.15 + ], + "units": "kelvin" + }, + "material": "hastelloy_n", + "source": "zhang_diffusion_2020", + "year": 2020, + "isotope": "D", + "author": "zhang", + "note": null, + "doi": "10.1080/15361055.2020.1725368", + "type": "Permeability", + "pre_exp": { + "value": 1.1442067444e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.6281783838660503, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673.15, + 1073.15 + ], + "units": "kelvin" + }, + "material": "hastelloy_n", + "source": "zhang_diffusion_2020", + "year": 2020, + "isotope": "H", + "author": "zhang", + "note": null, + "doi": "10.1080/15361055.2020.1725368", + "type": "Diffusivity", + "pre_exp": { + "value": 7e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.4571679345377245, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673.15, + 1073.15 + ], + "units": "kelvin" + }, + "material": "hastelloy_n", + "source": "zhang_diffusion_2020", + "year": 2020, + "isotope": "D", + "author": "zhang", + "note": null, + "doi": "10.1080/15361055.2020.1725368", + "type": "Diffusivity", + "pre_exp": { + "value": 6.1e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.45291858397865703, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673.15, + 1073.15 + ], + "units": "kelvin" + }, + "material": "hastelloy_n", + "source": "zhang_diffusion_2020", + "year": 2020, + "isotope": "H", + "author": "zhang", + "note": null, + "doi": "10.1080/15361055.2020.1725368", + "type": "Solubility", + "pre_exp": { + "value": 2.1679706736e+16, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.18241114595021427, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673.15, + 1073.15 + ], + "units": "kelvin" + }, + "material": "hastelloy_n", + "source": "zhang_diffusion_2020", + "year": 2020, + "isotope": "D", + "author": "zhang", + "note": null, + "doi": "10.1080/15361055.2020.1725368", + "type": "Solubility", + "pre_exp": { + "value": 1.8668636356e+16, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.1845876425780293, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 500, + 1100 + ], + "units": "kelvin" + }, + "material": "molybdenum", + "source": "tanabe_hydrogen_1992", + "year": 1992, + "isotope": "H", + "author": "tanabe", + "note": null, + "doi": "10.1016/S0022-3115(09)80083-4", + "type": "Diffusivity", + "pre_exp": { + "value": 4e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.23112321333464647, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 833, + 1193 + ], + "units": "kelvin" + }, + "material": "molybdenum", + "source": "katsuta_diffusivity_1982", + "year": 1982, + "isotope": "H", + "author": "katsuta", + "note": null, + "doi": "10.1016/0022-3697(82)90104-4", + "type": "Diffusivity", + "pre_exp": { + "value": 2.3957126498553932e-08, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.10909121999999999, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 500, + 1100 + ], + "units": "kelvin" + }, + "material": "molybdenum", + "source": "tanabe_hydrogen_1992", + "year": 1992, + "isotope": "H", + "author": "tanabe", + "note": null, + "doi": "10.1016/S0022-3115(09)80083-4", + "type": "Solubility", + "pre_exp": { + "value": 1.9873064508e+24, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.38762368514420525, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 833, + 1193 + ], + "units": "kelvin" + }, + "material": "molybdenum", + "source": "katsuta_diffusivity_1982", + "year": 1982, + "isotope": "H", + "author": "katsuta", + "note": null, + "doi": "10.1016/0022-3697(82)90104-4", + "type": "Solubility", + "pre_exp": { + "value": 3.6258996328815706e+27, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.67755471, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 1323.15, + 2673.15 + ], + "units": "kelvin" + }, + "material": "molybdenum", + "source": "frauenfelder_permeation_1968", + "year": 1968, + "isotope": "H", + "author": "frauenfelder", + "note": null, + "doi": "10.1063/1.1669720", + "type": "Permeability", + "pre_exp": { + "value": 1.9793814061241245e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.93232824119872, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 300, + 1473 + ], + "units": "kelvin" + }, + "material": "nickel", + "source": "volkl_5_1975", + "year": 1975, + "isotope": "H", + "author": "v\u00f6lkl", + "note": null, + "doi": "10.1016/B978-0-12-522660-8.50010-6", + "type": "Diffusivity", + "pre_exp": { + "value": 6.87e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.41975292107861806, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 273, + 1673 + ], + "units": "kelvin" + }, + "material": "nickel", + "source": "W.M.Robertson: Zeitschrift f\u00fcr Metallkunde, 1973, 64[6], 436-43", + 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energies in original paper", + "doi": "10.13182/FST85-A24629", + "type": "Solubility", + "pre_exp": { + "value": 1.5683990089738144e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.07130617523508376, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 600, + 900 + ], + "units": "kelvin" + }, + "material": "316l_steel", + "source": "reiter_interaction_1985", + "year": 1985, + "isotope": "d", + "author": "reiter", + "note": "probably a unit mistake in the activation energies in original paper", + "doi": "10.13182/FST85-A24629", + "type": "Solubility", + "pre_exp": { + "value": 1.670685900863411e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.08384694151916099, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 600, + 900 + ], + "units": "kelvin" + }, + "material": "316l_steel", + "source": "reiter_interaction_1985", + "year": 1985, + "isotope": 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}, + "material": "316l_steel", + "source": "shan_behavior_1991", + "year": 1991, + "isotope": "h", + "author": "shan", + "note": "calculated in HTM", + "doi": "https://doi.org/10.1016/0022-3115(91)90091-K", + "type": "Solubility", + "pre_exp": { + "value": 2.674502961761202e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.08316806985423819, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 500.0, + 723.0 + ], + "units": "kelvin" + }, + "material": "316l_steel", + "source": "shan_behavior_1991", + "year": 1991, + "isotope": "t", + "author": "shan", + "note": "calculated in HTM", + "doi": "https://doi.org/10.1016/0022-3115(91)90091-K", + "type": "Solubility", + "pre_exp": { + "value": 8.549824900774793e+25, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.4657826502428999, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 373.0, + 473.0 + ], + "units": "kelvin" + }, + "material": "316l_steel", + "source": "penzhorn_distribution_2010", + "year": 2010, + "isotope": "T", + "author": "penzhorn", + "note": "Section III.B, temperature range is unclear", + "doi": "10.13182/FST57-3-185", + "type": "Diffusivity", + "pre_exp": { + "value": 1.9e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.6353297299288713, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 373.0, + 473.0 + ], + "units": "kelvin" + }, + "material": "316l_steel", + "source": "penzhorn_distribution_2010", + "year": 2010, + "isotope": "T", + "author": "penzhorn", + "note": "Section III.C, temperature range is unclear", + "doi": "10.13182/FST57-3-185", + "type": "Diffusivity", + "pre_exp": { + "value": 1.5e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.5938726513038226, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "uncertainties given in paper", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "Permeability", + "pre_exp": { + "value": 2.8906275647999994e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.6884983, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "uncertainties given in paper", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "Diffusivity", + "pre_exp": { + "value": 1.22e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.568722, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "this is not calculated by Grant in the paper.solubility=permeability/diffusivity was done in HTM", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "Solubility", + "pre_exp": { + "value": 2.3693668563934423e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.11977630000000006, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "ion-beamed cleaned surface. uncertainties given in paper", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "DissociationCoeff", + "pre_exp": { + "value": 6.805019058799999e+21, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.8031043999999999, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "activated surface. uncertainties given in paper", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "DissociationCoeff", + "pre_exp": { + "value": 7.0459046892e+22, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 1.0995291999999999, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "oxidized surface. uncertainties given in paper", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "DissociationCoeff", + "pre_exp": { + "value": 8.6116612868e+18, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.6600621999999999, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "ion-beamed cleaned surface. not given in paper, calculated in HTM", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.2121733388746335e-25, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.5635517999999998, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "activated surface. not given in paper, calculated in HTM", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.255082129631258e-24, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.8599765999999998, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 645, + 965 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "grant_hydrogen_1987", + "year": 1987, + "isotope": "H", + "author": "grant", + "note": "oxidized surface. not given in paper, calculated in HTM", + "doi": "10.1016/0022-3115(87)90476-4", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.533989269549315e-28, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.4205095999999998, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 373.15, + 873.15 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "braun_determination_1980", + "year": 1980, + "isotope": "D", + "author": "braun", + "note": "Braun doesn't plot the permeability and assumes a solubility from N.L. Hawkins, Report KAPL 863 (1953). However we can't find this report.", + "doi": "10.1016/0022-3115(80)90219-6", + "type": "Diffusivity", + "pre_exp": { + "value": 1.8e-05, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.6417887427786538, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "braun_determination_1980", + "year": 1980, + "isotope": "D", + "author": "braun", + "note": null, + "doi": "10.1016/0022-3115(80)90219-6", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 5.4000000000000005e-27, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.6764800261720946, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 373.15, + 873.15 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "braun_determination_1980", + "year": 1980, + "isotope": "D", + "author": "braun", + "note": "not given in paper, calculated in HTM using Hawkins solubility, differs from Fuerst 2020 review (Table 5)", + "doi": "10.1016/0022-3115(80)90219-6", + "type": "DissociationCoeff", + "pre_exp": { + "value": 2.613599999999999e+19, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.8239179805942177, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 373.15, + 873.15 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "braun_determination_1980", + "year": 1980, + "isotope": "D", + "author": "braun", + "note": "Braun doesn't plot the permeability and assumes a solubility from N.L. Hawkins, Report KAPL 863 (1953)", + "doi": "10.1016/0022-3115(80)90219-6", + "type": "Permeability", + "pre_exp": { + "value": 1.252261953426678e+18, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.7155077199897154, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 573.15, + 1073.15 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "N.L. Hawkins, Report KAPL 863 (1953)", + "year": 1953, + "isotope": "H", + "author": "N.L. Hawkins", + "note": "Found in Braun 1980 braun_determination_1980 paper but couldn't find the original reference. Range is assumed from https://doi.org/10.2172/4414215", + "doi": null, + "type": "Solubility", + "pre_exp": { + "value": 6.957010852370433e+22, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.07371897721106159, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 629.1303198519693, + 932.6018808777429 + ], + "units": "kelvin" + }, + "material": "304_steel", + "source": "hu_hydrogen_2015", + "year": 2015, + "isotope": "H", + "author": "hu", + "note": "Figure 6", + "doi": "10.1016/j.jnucmat.2015.02.040", + "type": "Permeability", + "pre_exp": { + "value": 1.0162160572469555e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.6699441279400571, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 932.6018808777429, + 883.1168831168832, + 827.538247566064, + 778.5410533202486, + 730.0613496932515, + 680.0, + 629.1303198519693 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 19932091977905.46, + 19482823335225.832, + 11933850840450.963, + 3773814991253.9717, + 1861443729650.9712, + 950103032736.6299, + 549726840511.20624 + ], + "units": "particle / meter / pascal ** 0.5 / second" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Diffusivity", + "pre_exp": { + "value": 4.9e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.44, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Solubility", + "pre_exp": { + "value": 9.013015062864111e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.22, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Permeability", + "pre_exp": { + "value": 4.450871635982278e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.66, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "H", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "Diffusivity", + "pre_exp": { + "value": 1.7000000000000002e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.5160328404774311, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "D", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "Diffusivity", + "pre_exp": { + "value": 2.0000000000000003e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.5377148925983316, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "H", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "Permeability", + "pre_exp": { + "value": 2.3999999999999996e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.5724061759917723, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "D", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "Permeability", + "pre_exp": { + "value": 2.3999999999999996e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.5897518176884927, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "H", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "Solubility", + "pre_exp": { + "value": 1.3999999999999996e+22, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.05637333551434122, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "D", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "Solubility", + "pre_exp": { + "value": 1.1999999999999996e+22, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.05203692509016112, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "H", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "DissociationCoeff", + "pre_exp": { + "value": 2.6000000000000005e+18, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.5507241238708719, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "D", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "DissociationCoeff", + "pre_exp": { + "value": 2.0000000000000003e+17, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.47700514665981025, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "H", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.3e-26, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.4379774528421894, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 423.15, + 673.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "rota_measurements_1982", + "year": 1982, + "isotope": "D", + "author": "rota", + "note": null, + "doi": "10.1016/0022-3115(82)90214-8", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.4e-27, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.37293129647948803, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 1073.15, + 1273.15 + ], + "units": "kelvin" + }, + "material": "inconel_600", + "source": "masui_hydrogen_1978", + "year": 1978, + "isotope": "H", + "author": "masui", + "note": null, + "doi": "10.2355/tetsutohagane1955.64.5_615", + "type": "Permeability", + "pre_exp": { + "value": 5.549329413992689e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.6851528470204548, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 650, + 900 + ], + "units": "kelvin" + }, + "material": "inconel_625", + "source": "gervasini_solubility_1984", + "year": 1984, + "isotope": "H", + "author": "gervasini", + "note": null, + "doi": "10.13182/FST84-A23218", + "type": "Diffusivity", + "pre_exp": { + "value": 1.75e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.5451605839193904, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 650, + 900 + ], + "units": "kelvin" + }, + "material": "inconel_625", + "source": "gervasini_solubility_1984", + "year": 1984, + "isotope": "D", + "author": "gervasini", + "note": null, + "doi": "10.13182/FST84-A23218", + "type": "Diffusivity", + "pre_exp": { + "value": 2.39e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.5928362243381964, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 650, + 900 + ], + "units": "kelvin" + }, + "material": "inconel_625", + "source": "gervasini_solubility_1984", + "year": 1984, + "isotope": "H", + "author": "gervasini", + "note": "the value of the pre-exp factor conversion was taken from Shimada 2020", + "doi": "10.13182/FST84-A23218", + "type": "Solubility", + "pre_exp": { + "value": 1.25862741884e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.10903211678387806, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 450, + 620 + ], + "units": "kelvin" + }, + "material": "inconel_625", + "source": "perujo_low_1996", + "year": 1996, + "isotope": "T", + "author": "perujo", + "note": "clean surface, stationary", + "doi": "10.1016/0920-3796(94)00434-X", + "type": "DissociationCoeff", + "pre_exp": { + "value": 9.635425216e+20, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.4995577974318368, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 450, + 620 + ], + "units": "kelvin" + }, + "material": "inconel_625", + "source": "perujo_low_1996", + "year": 1996, + "isotope": "T", + "author": "perujo", + "note": "clean surface, stationary", + "doi": "10.1016/0920-3796(94)00434-X", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 3.321078134347693e-27, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.119189101047015, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 450, + 620 + ], + "units": "kelvin" + }, + "material": "inconel_625", + "source": "perujo_low_1996", + "year": 1996, + "isotope": "T", + "author": "perujo", + "note": "oxidised surface, stationary", + "doi": "10.1016/0920-3796(94)00434-X", + "type": "DissociationCoeff", + "pre_exp": { + "value": 1.5657565976e+23, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 1.1535432127419798, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 450, + 620 + ], + "units": "kelvin" + }, + "material": "inconel_625", + "source": "perujo_low_1996", + "year": 1996, + "isotope": "T", + "author": "perujo", + "note": "oxidised surface, stationary", + "doi": "10.1016/0920-3796(94)00434-X", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 5.313725014956309e-23, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 1.0053341566574308, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "inconel_750", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Diffusivity", + "pre_exp": { + "value": 1.6000000000000001e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.55, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "inconel_750", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Solubility", + "pre_exp": { + "value": 3.505061413336043e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.12, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "inconel_750", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Permeability", + "pre_exp": { + "value": 5.63313441429007e+17, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.67, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "nimonic_80a", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Diffusivity", + "pre_exp": { + "value": 1.4000000000000001e-06, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.55, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "nimonic_80a", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Solubility", + "pre_exp": { + "value": 4.256146001908052e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": 0.12, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 873, + 1173 + ], + "units": "kelvin" + }, + "material": "nimonic_80a", + "source": "kishimoto_hydrogen_1985", + "year": 1985, + "isotope": "H", + "author": "kishimoto", + "note": null, + "doi": "10.1016/0022-3115(85)90056-X", + "type": "Permeability", + 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+ "source": "begun_equilibrium_2008", + "year": 2008, + "isotope": "T", + "author": "begun", + "note": "table I", + "doi": "10.1063/1.439496", + "type": "Solubility", + "pre_exp": { + "value": 1.2685637634562735e+23, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": -0.939869846466639, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 1273.15, + 1223.15, + 1173.15, + 1123.15, + 1073.15, + 1023.15, + 973.15 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 6.290100111629992e+26, + 9.382732666514738e+26, + 1.428376900349311e+27, + 2.2015350390704972e+27, + 3.3547200595359963e+27, + 5.582463849071618e+27, + 8.75372265535174e+27 + ], + "units": "particle / meter ** 3 / pascal ** 0.5" + } + }, + { + "range": { + "value": [ + 515, + 742 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "forcey_permeability_1993", + "year": 1993, + "isotope": "D", + "author": "forcey", + "note": "Equation 8", + "doi": "https://doi.org/10.1016/0022-3115(93)90427-Z", + "type": "Permeability", + "pre_exp": { + "value": 5.01042111232e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.7825023590477941, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 515, + 742 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "forcey_permeability_1993", + "year": 1993, + "isotope": "D", + "author": "forcey", + "note": "Equation 9", + "doi": "https://doi.org/10.1016/0022-3115(93)90427-Z", + "type": "Diffusivity", + "pre_exp": { + "value": 0.000318, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.9130921567166974, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "D", + "author": "tominetti", + "note": "Equation 9", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "Diffusivity", + "pre_exp": { + "value": 0.000196, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.9897877521730376, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "H", + "author": "tominetti", + "note": "Equation 8", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "Diffusivity", + "pre_exp": { + "value": 5.53e-05, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.8768172129197799, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 515, + 742 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "forcey_permeability_1993", + "year": 1993, + "isotope": "D", + "author": "forcey", + "note": "Equation 10", + "doi": "https://doi.org/10.1016/0022-3115(93)90427-Z", + "type": "Solubility", + "pre_exp": { + "value": 1.57780087912e+20, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": -0.13058979766890338, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "D", + "author": "tominetti", + "note": "Equation 13", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "Solubility", + "pre_exp": { + "value": 2.15592639208e+20, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": -0.17515615719083072, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "H", + "author": "tominetti", + "note": "Equation 12", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "Solubility", + "pre_exp": { + "value": 4.1552771244e+20, + "units": "particle / meter ** 3 / pascal ** 0.5" + }, + "act_energy": { + "value": -0.12229838194389366, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "D", + "author": "tominetti", + "note": "Equation 16", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "DissociationCoeff", + "pre_exp": { + "value": 4.2757199396e+17, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.7866480669102991, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "H", + "author": "tominetti", + "note": "Equation 15", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "DissociationCoeff", + "pre_exp": { + "value": 5.30550600956e+16, + "units": "particle / meter ** 2 / pascal / second" + }, + "act_energy": { + "value": 0.634293302963245, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "D", + "author": "tominetti", + "note": "Equation 16", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 1.7053736219875403e-23, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 1.1566524936388585, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "H", + "author": "tominetti", + "note": "Equation 15", + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "RecombinationCoeff", + "pre_exp": { + "value": 4.317401574652001e-25, + "units": "meter ** 4 / particle / second" + }, + "act_energy": { + "value": 0.9016914600948092, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 673, + 873 + ], + "units": "kelvin" + }, + "material": "tzm", + "source": "tominetti_solubility_1990", + "year": 1990, + "isotope": "H", + "author": "tominetti", + "note": null, + "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", + "type": "Permeability", + "pre_exp": { + "value": 2.2978682497932e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.7545188309758862, + "units": "electron_volt / particle" + } + }, + { + "range": { + "value": [ + 623.15, + 698.15 + ], + "units": "kelvin" + }, + "material": "pd52cu", + "source": "li_low_2023", + "year": 2023, + "isotope": "H", + "author": "li", + "note": "SI Table 1 (supporting information)", + "doi": "https://doi.org/10.1016/j.jnucmat.2023.154484", + "type": "Permeability", + "pre_exp": { + "value": 2.1494256520863124e+16, + "units": "particle / meter / pascal ** 0.5 / second" + }, + "act_energy": { + "value": 0.04826589650771628, + "units": "electron_volt / particle" + }, + "data_T": { + "value": [ + 623.15, + 648.15, + 673.15, + 698.15 + ], + "units": "kelvin" + }, + "data_y": { + "value": [ + 8732104102000000.0, + 9093432547600000.0, + 9334318178000000.0, + 9635425216000000.0 + ], + "units": "particle / meter / pascal ** 0.5 / second" + } + }, + { + "range": { + "value": [ + 323.15, + 873.15 + ], + "units": "kelvin" + }, + "material": "pd52cu", + "source": "piper_diffusion_2004", + "year": 2004, + "isotope": "H", + "author": "piper", + "note": "Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper. These range values were found outside of the paper.", + "doi": "10.1063/1.1708243", + "type": "Diffusivity", + "pre_exp": { + "value": 3.0000000000000004e-07, + "units": "meter ** 2 / second" + }, + "act_energy": { + "value": 0.10407385018032224, + "units": "electron_volt / particle" + } + } + ], + "htm_version": "0.1.dev1028+g6c1a840.d20240109" +} \ No newline at end of file From 695f3b2191510203a2576aa7d43f4da0379df794 Mon Sep 17 00:00:00 2001 From: Paul Date: Fri, 26 Jan 2024 14:39:00 +0900 Subject: [PATCH 087/123] Guthrie Mo data corrected --- h_transport_materials/_version.py | 16 - .../property_database/molybdenum.py | 10 + out.bib | 6 - out.json | 13416 ---------------- 4 files changed, 10 insertions(+), 13438 deletions(-) delete mode 100644 h_transport_materials/_version.py delete mode 100644 out.bib delete mode 100644 out.json diff --git a/h_transport_materials/_version.py b/h_transport_materials/_version.py deleted file mode 100644 index 26a3742f..00000000 --- a/h_transport_materials/_version.py +++ /dev/null @@ -1,16 +0,0 @@ -# file generated by setuptools_scm -# don't change, don't track in version control -TYPE_CHECKING = False -if TYPE_CHECKING: - from typing import Tuple, Union - VERSION_TUPLE = Tuple[Union[int, str], ...] -else: - VERSION_TUPLE = object - -version: str -__version__: str -__version_tuple__: VERSION_TUPLE -version_tuple: VERSION_TUPLE - -__version__ = version = '0.1.dev1028+g6c1a840.d20240109' -__version_tuple__ = version_tuple = (0, 1, 'dev1028', 'g6c1a840.d20240109') diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index d6531fa3..bd4cccab 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -50,6 +50,16 @@ ) guthrie_p_0 = 3.8e-3 * u.ccSTP * u.cm**-1 * u.s**-1 * u.atm**-0.5 +guthrie_permeability = Permeability( + pre_exp=guthrie_p_0 / ((htm.Rg * 300 * u.K), + act_energy=17.4 * u.kcal * u.mol**-1, + isotope="D", + range=( + u.Quantity(270, u.degC), + u.Quantity(640, u.degC), + ), + source="guthrie_permeation_1974", +) properties = [ tanabe_diffusivity, diff --git a/out.bib b/out.bib deleted file mode 100644 index 1ef3f976..00000000 --- a/out.bib +++ /dev/null @@ -1,6 +0,0 @@ -@article{article-minimal, - author = "Lamport, L[eslie] B.", - title = "The Gnats and Gnus Document Preparation System", - journal = "G-Animal's Journal", - year = "1986" -} diff --git a/out.json b/out.json deleted file mode 100644 index 9adc4c6a..00000000 --- a/out.json +++ /dev/null @@ -1,13416 +0,0 @@ -{ - "data": [ - { - "range": { - "value": [ - 299.55148146300405, - 869.3388009023356 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "young_diffusion_1998", - "year": 1998, - "isotope": "H", - "author": "young", - "note": null, - "doi": "10.1016/S1359-6454(98)00333-4", - "type": "Diffusivity", - "pre_exp": { - "value": 1.8041704024795446e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.16844581001736417, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 869.3388009023356, - 861.4848446980742, - 759.9611312758495, - 758.672552304325, - 664.5518777825778, - 663.1691458092098, - 566.6227294451428, - 566.6848320815434, - 470.2908382539093, - 470.4239590573072, - 373.4598430599891, - 373.4808248341122, - 300.48575584351846, - 299.55148146300405 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 2.215762625056184e-09, - 2.110607919873128e-09, - 2.115603036199355e-09, - 1.0178236257253731e-09, - 9.603445001752723e-10, - 7.711074337012844e-10, - 6.369062045987333e-10, - 5.706998149825754e-10, - 2.727278876384335e-10, - 1.938339689395042e-10, - 8.847610190668093e-11, - 8.1236474025553e-11, - 3.368442418645013e-11, - 3.018779391531447e-11 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 723, - 873 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "Ransley, C.E., Neufeld, H., 1948. J. Inst. Met. 74, 599\u2013620", - "year": 1948, - "isotope": "H", - "author": "ransley", - "note": null, - "doi": null, - "type": "Solubility", - "pre_exp": { - "value": 1.39713665632e+22, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.4114615053536083, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 630, - 870 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "eichenauer_notitle_1961", - "year": 1961, - "isotope": "H", - "author": "eichenauer", - "note": "could not find the original paper, found in DOI:10.2172/5277693", - "doi": null, - "type": "Permeability", - "pre_exp": { - "value": 2.2884134888e+18, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 1.6286129999999999, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 670, - 870 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "cochran_permeability_1961", - "year": 1961, - "isotope": "H", - "author": "cochran", - "note": "the units given in the original paper are odd. This is the conversion found in DOI:10.2172/5277693", - "doi": "10.1149/1.2428079", - "type": "Permeability", - "pre_exp": { - "value": 2.709963342e+18, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 1.0650612, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673.15, - 773.15 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "song_study_1997", - "year": 1997, - "isotope": "H", - "author": "song", - "note": "natural oxide", - "doi": "10.1016/S0022-3115(97)00146-3", - "type": "Permeability", - "pre_exp": { - "value": 602214076000000.0, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.5441241569537641, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 446, - 681 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "saitoh_hydrogen_1994", - "year": 1994, - "isotope": "H", - "author": "saitoh", - "note": null, - "doi": "10.1016/0956-7151(94)90329-8", - "type": "Diffusivity", - "pre_exp": { - "value": 6.1e-05, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5679619771631671, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 573.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "hashimoto_hydrogen_1983", - "year": 1983, - "isotope": "H", - "author": "hashimoto", - "note": null, - "doi": "10.1088/0305-4608/13/6/013", - "type": "Diffusivity", - "pre_exp": { - "value": 2.6000000000000002e-05, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.62, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 573, - 923 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "ichimura_grain_1991", - "year": 1991, - "isotope": "H", - "author": "ichimura", - "note": "columnar grain", - "doi": "10.2320/matertrans1989.32.1109", - "type": "Diffusivity", - "pre_exp": { - "value": 4.58e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.3834779772817004, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 723.15, - 898.15 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "outlaw_diffusion_1982", - "year": 1982, - "isotope": "H", - "author": "outlaw", - "note": null, - "doi": "10.1016/0036-9748(82)90354-4", - "type": "Diffusivity", - "pre_exp": { - "value": 1.016104157679486e-05, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5035940929159487, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 723.15, - 748.15, - 773.15, - 798.15, - 823.15, - 848.15, - 873.15, - 898.15 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 3.14e-09, - 4.12e-09, - 5.3e-09, - 6.72e-09, - 8.38e-09, - 1.03e-08, - 1.26e-08, - 1.52e-08 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 285, - 328 - ], - "units": "kelvin" - }, - "material": "aluminium", - "source": "ishikawa_diffusivity_1986", - 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1278.15, - 1212.15, - 1184.15, - 1144.15, - 1119.15, - 1082.15, - 1051.15, - 1028.15, - 996.15, - 932.15, - 882.15, - 867.15 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 6.098370389873418e+24, - 6.072960513248946e+24, - 4.1333399309142055e+24, - 3.565852686300985e+24, - 3.006835400562588e+24, - 2.625687251195499e+24, - 1.9735004178340368e+24, - 1.9735004178340368e+24, - 1.6092921862165962e+24, - 1.3043736667229257e+24, - 7.885531712461323e+23, - 5.912031294627286e+23, - 4.6754172989029536e+23 - ], - "units": "particle / meter ** 3 / pascal ** 0.5" - } - }, - { - "range": { - "value": [ - 700.0, - 800.0 - ], - "units": "kelvin" - }, - "material": "copper", - "source": "anderl_deuterium_1999", - "year": 1999, - "isotope": "D", - "author": "anderl", - "note": null, - "doi": "10.1016/S0022-3115(98)00878-2", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 9.1e-18, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.99, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 573.15, - 823.15 - ], - "units": "kelvin" - }, - "material": "copper", - "source": "houben_comparison_2022", - "year": 2022, - "isotope": "D", - "author": "houben", - "note": null, - "doi": "10.1016/j.nme.2022.101256", - "type": "Permeability", - "pre_exp": { - "value": 1.806642228e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.7980487635321873, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 562.7025656810735, - 766.2534882939021 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "serra_hydrogen_1998", - "year": 1998, - "isotope": "H", - "author": "serra", - "note": "Serra equation doesn't match the experimental points on their graph\n Serra gives D_0=5.7e-7 m2/s and E_D = 41220 J/mol \nITER also gives a diffusivity but they adapted it from the wrong equations...", - "doi": "10.1016/S0022-3115(98)00276-1", - "type": "Diffusivity", - "pre_exp": { - "value": 5.838078601525811e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.40427217296755136, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 766.2534882939021, - 766.2260086831589, - 733.1249530876377, - 734.7321476546128, - 692.4085757977781, - 649.5478754230058, - 650.2249189245737, - 607.2163813116915, - 608.9274867697065, - 563.2551410969761, - 562.7025656810735 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.2940216835459104e-09, - 1.1625998590752453e-09, - 1.0179324809152833e-09, - 9.393199952901895e-10, - 6.295055574415647e-10, - 3.9464242588900155e-10, - 4.888947549116067e-10, - 2.7542732270825266e-10, - 3.457885417468183e-10, - 1.615782876952706e-10, - 9.458832442447677e-11 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 562.2028454475635, - 764.3551715733953 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "serra_hydrogen_1998", - "year": 1998, - "isotope": "D", - "author": "serra", - "note": "Serra equation doesn't match the experimental points on their graph\n Serra gives D_0=4.8e-7 m2/s and E_D = 40370 J/mol \nITER also gives a diffusivity but they adapted it from the wrong equations...", - 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"year": 2016, - "isotope": "T", - "author": "noh", - "note": null, - "doi": "10.1016/j.jnucmat.2016.01.035", - "type": "Diffusivity", - "pre_exp": { - "value": 0.000505, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.964, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 700, - 800 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "anderl_deuterium_1999", - "year": 1999, - "isotope": "D", - "author": "anderl", - "note": null, - "doi": "10.1016/S0022-3115(98)00878-2", - "type": "Diffusivity", - "pre_exp": { - "value": 0.02, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 1.2, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 593, - 773 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "penalva_interaction_2012", - "year": 2012, - "isotope": "D", - "author": "pe\u00f1alva", - "note": null, - "doi": "10.5772/34469", - "type": "Diffusivity", - "pre_exp": { - "value": 3.55e-05, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.6788596624851725, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 562.3262163014092, - 765.9685676934168 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "serra_hydrogen_1998", - "year": 1998, - "isotope": "H", - "author": "serra", - "note": null, - "doi": "10.1016/S0022-3115(98)00276-1", - "type": "Solubility", - "pre_exp": { - "value": 5.083278646995115e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.39680211938829585, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 764.9790658063649, - 765.9685676934168, - 733.3558362838531, - 732.4790140686653, - 691.3187546443031, - 650.3362714627808, - 649.607957247708, - 608.3421584168419, - 606.4886010324534, - 562.3407090855021, - 562.3262163014092 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.4900489129079902e+21, - 1.3251256550885745e+21, - 1.0317296780835964e+21, - 9.174849674768629e+20, - 6.539234088786488e+20, - 3.182583849590736e+20, - 4.14397699057239e+20, - 1.873826097490821e+20, - 2.2342247057055626e+20, - 1.638523906586322e+20, - 1.9826908651696996e+20 - ], - "units": "particle / meter ** 3 / pascal ** 0.5" - } - }, - { - "range": { - "value": [ - 561.8105368607905, - 764.0435650557732 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "serra_hydrogen_1998", - "year": 1998, - "isotope": "D", - "author": "serra", - "note": null, - "doi": "10.1016/S0022-3115(98)00276-1", - "type": "Solubility", - "pre_exp": { - "value": 5.277123418642117e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.40035198908768327, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 764.0024061842527, - 764.0435650557732, - 730.6864674037178, - 731.5873034068504, - 693.7349093097923, - 690.5596935690896, - 647.4933642094691, - 648.918384627058, - 607.7061220292309, - 605.8797268826538, - 562.8864038115657, - 561.8105368607905 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.557029993918875e+21, - 1.1612051216502176e+21, - 1.0316459281253427e+21, - 9.310148483847775e+20, - 5.1719189517513844e+20, - 4.876711866080343e+20, - 5.013999701272734e+20, - 3.7395536739822155e+20, - 2.4043481965111686e+20, - 2.2016369045348336e+20, - 1.2583901247843688e+20, - 1.76314503943106e+20 - ], - "units": "particle / meter ** 3 / pascal ** 0.5" - } - }, - { - "range": { - "value": [ - 573, - 873 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "noh_hydrogen-isotope_2016", - "year": 2016, - "isotope": "T", - "author": "noh", - "note": null, - "doi": "10.1016/j.jnucmat.2016.01.035", - "type": "Solubility", - "pre_exp": { - "value": 7.83e+20, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.0715, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 573, - 873 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "noh_hydrogen-isotope_2016", - "year": 2016, - "isotope": "T", - "author": "noh", - "note": null, - "doi": "10.1016/j.jnucmat.2016.01.035", - "type": "Solubility", - "pre_exp": { - "value": 5.42e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.4, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 593, - 773 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "penalva_interaction_2012", - "year": 2012, - "isotope": "D", - "author": "pe\u00f1alva", - "note": null, - "doi": "10.5772/34469", - "type": "Solubility", - "pre_exp": { - "value": 4.04085644996e+21, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.08705986511260226, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 700.0, - 800.0 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "anderl_deuterium_1999", - "year": 1999, - "isotope": "D", - "author": "anderl", - "note": null, - "doi": "10.1016/S0022-3115(98)00878-2", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 2.9e-14, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 1.92, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 573.15, - 823.15 - ], - "units": "kelvin" - }, - "material": "cucrzr", - "source": "houben_comparison_2022", - "year": 2022, - "isotope": "D", - "author": "houben", - "note": null, - "doi": "10.1016/j.nme.2022.101256", - "type": "Permeability", - "pre_exp": { - "value": 3.613284456e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.8187773028447117, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 473.29011091296996, - 673.5809399520613 - ], - "units": "kelvin" - }, - "material": "eurofer_97", - "source": "aiello_hydrogen_2002", - "year": 2002, - "isotope": "H", - "author": "aiello", - "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", - "doi": "10.13182/FST41-872", - "type": "Permeability", - "pre_exp": { - "value": 2.601132329083713e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.42140876761651697, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 673.5809399520613, - 622.9481351645586, - 572.9793957921338, - 523.0227898249071, - 473.29011091296996 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 16763435266186.771, - 10920697969443.943, - 5302252204203.221, - 2294488810165.731, - 813702989068.3785 - ], - "units": "particle / meter / pascal ** 0.5 / second" - } - }, - { - "range": { - "value": [ - 473.01656746145966, - 723.9969549158373 - ], - "units": "kelvin" - }, - "material": "eurofer_97", - "source": "aiello_hydrogen_2002", - "year": 2002, - "isotope": "D", - "author": "aiello", - "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", - "doi": "10.13182/FST41-872", - "type": "Permeability", - "pre_exp": { - "value": 8868783008202101.0, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.3943312836382712, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 723.9969549158373, - 673.9632545931759, - 623.6649240092052, - 572.8899114550652, - 522.9535531993432, - 473.01656746145966 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 15704410541619.72, - 10334980669083.387, - 5872555832048.233, - 2942761789775.852, - 1328144516107.7012, - 581243820141.115 - ], - "units": "particle / meter / pascal ** 0.5 / second" - } - }, - { - "range": { - "value": [ - 621.5333450503459, - 720.7766360335854 - ], - "units": "kelvin" - }, - "material": "eurofer_97", - "source": "aiello_hydrogen_2002", - "year": 2002, - "isotope": "H", - "author": "aiello", - "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", - "doi": "10.13182/FST41-872", - "type": "Diffusivity", - "pre_exp": { - "value": 6.86248092825134e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.10565759951922113, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 720.7766360335854, - 671.9853631801034, - 621.5333450503459 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.3174768787553944e-08, - 1.0082588706320899e-08, - 9.956587158097558e-09 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 622.9995921883286, - 722.2636400530112 - ], - "units": "kelvin" - }, - "material": "eurofer_97", - "source": "aiello_hydrogen_2002", - "year": 2002, - "isotope": "D", - "author": "aiello", - "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", - "doi": "10.13182/FST41-872", - "type": "Diffusivity", - "pre_exp": { - "value": 9.510227208516091e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.12386182717870785, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 722.2636400530112, - 671.8468843117639, - 622.9995921883286 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.3171516463087808e-08, - 1.0917936060893002e-08, - 9.578367714956876e-09 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 623.3884422872744, - 823.1524133787302 - ], - "units": "kelvin" - }, - "material": "eurofer_97", - "source": "chen_deuterium_2021", - "year": 2021, - "isotope": "D", - "author": "chen", - "note": "in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", - "doi": "10.1016/j.jnucmat.2021.152904", - "type": "Permeability", - "pre_exp": { - "value": 7842716660090298.0, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.3668113725007667, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 823.1524133787302, - 773.283160865475, - 723.2095724089388, - 673.4392921514009, - 623.3884422872744 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 46890531205562.71, - 30770995652585.188, - 20975104579401.816, - 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"data_T": { - "value": [ - 973.0, - 1173.0, - 1373.0 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 3e-09, - 7e-09, - 1.11e-08 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 973.0, - 1373.0 - ], - "units": "kelvin" - }, - "material": "flibe", - "source": "lam_impact_2021", - "year": 2021, - "isotope": "T", - "author": "lam", - "note": "Calculated for T neutral", - "doi": "10.1039/D0TA10576G", - "type": "Diffusivity", - "pre_exp": { - "value": 9.933944956971144e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.42202523066171305, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 973.0, - 1173.0, - 1373.0 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 6.3e-09, - 1.63e-08, - 2.7e-08 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 772.2366951991069, - 873.684210526316 - ], - "units": "kelvin" - }, - "material": "flibe", - "source": "nakamura_hydrogen_2015", - "year": 2015, - "isotope": "H", - "author": "nakamura", - "note": null, - "doi": null, - "type": "Diffusivity", - "pre_exp": { - "value": 1.508521565198787e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.23690444592353954, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 873.684210526316, - 823.0860769535898, - 772.2366951991069 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 6.039153164031891e-10, - 6.110959679372029e-10, - 4.0287986794662773e-10 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 772.6727557892793, - 873.2144719007401 - ], - "units": "kelvin" - }, - "material": "flibe", - "source": "nakamura_hydrogen_2015", - "year": 2015, - "isotope": "H", - "author": "nakamura", - "note": null, - "doi": null, - "type": "Solubility", - "pre_exp": { - "value": 4.9971264703835186e+26, - "units": "particle / meter ** 3 / pascal" - }, - "act_energy": { - "value": 1.1013562533753578, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 873.2144719007401, - 823.095823095823, - 772.6727557892793 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 2.1817552038027454e+20, - 9.138044414974496e+19, - 3.2511302348162753e+19 - ], - "units": "particle / meter ** 3 / pascal" - } - }, - { - "range": { - "value": [ - 772.711893080697, - 873.4661354581673 - ], - "units": "kelvin" - }, - "material": "flibe", - "source": "nakamura_hydrogen_2015", - "year": 2015, - "isotope": "H", - "author": "nakamura", - "note": null, - "doi": null, - "type": "Permeability", - "pre_exp": { - "value": 1.0845610297693155e+19, - "units": "particle / meter / pascal / second" - }, - "act_energy": { - "value": 1.3636203914416485, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 873.4661354581673, - 823.1262277060594, - 772.711893080697 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 140863515061.67654, - 52508195416.53942, - 13334876492.809288 - ], - "units": "particle / meter / pascal / second" - 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"material": "pdag", - "source": "serra_hydrogen_1998-2", - "year": 1998, - "isotope": "H", - "author": "serra", - "note": null, - "doi": "10.1007/s11661-998-1011-3", - "type": "DissociationCoeff", - "pre_exp": { - "value": 1.0237639292e+22, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.2725181063417576, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 323, - 773 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "serra_hydrogen_1998-2", - "year": 1998, - "isotope": "D", - "author": "serra", - "note": null, - "doi": "10.1007/s11661-998-1011-3", - "type": "DissociationCoeff", - "pre_exp": { - "value": 7.828782988e+21, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.25682660208217667, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 323, - 773 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "serra_hydrogen_1998-1", - "year": 1998, - "isotope": "H", - "author": "serra", - "note": null, - "doi": "10.1016/S0022-3115(98)00038-5", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 8.468749242586618e-25, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.6787560197886097, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 323, - 773 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "serra_hydrogen_1998-1", - "year": 1998, - "isotope": "D", - "author": "serra", - "note": null, - "doi": "10.1016/S0022-3115(98)00038-5", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 6.476102361978002e-25, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.6409471640825654, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 473, - 623 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "vadrucci_hydrogen_2013", - "year": 2013, - "isotope": "H", - "author": "vadrucci", - "note": "wt = 84 micron", - "doi": "10.1016/j.ijhydene.2013.01.091", - "type": "Permeability", - "pre_exp": { - "value": 1.7765315242e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.02623704499213113, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 473, - 623 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "vadrucci_hydrogen_2013", - "year": 2013, - "isotope": "H", - "author": "vadrucci", - "note": "wt = 150 micron", - "doi": "10.1016/j.ijhydene.2013.01.091", - "type": "Permeability", - "pre_exp": { - "value": 3.39046524788e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.0565480771007458, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 473, - 623 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "vadrucci_hydrogen_2013", - "year": 2013, - "isotope": "H", - "author": "vadrucci", - "note": "wt = 200 micron", - "doi": "10.1016/j.ijhydene.2013.01.091", - "type": "Permeability", - "pre_exp": { - "value": 1.24056099656e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.026869990940039064, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 473, - 623 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "vadrucci_hydrogen_2013", - "year": 2013, - "isotope": "H", - "author": "vadrucci", - "note": "equation 17 + probably an error in the units of the activation energy in the original paper", - "doi": "10.1016/j.ijhydene.2013.01.091", - "type": "DissociationCoeff", - "pre_exp": { - "value": 2.468090475409836e+21, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.20835291289983848, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 373, - 773 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "serra_hydrogen_1998-2", - "year": 1998, - "isotope": "H", - "author": "serra", - "note": "Figure 2 or Equation 6", - "doi": "10.1007/s11661-998-1011-3", - "type": "Permeability", - "pre_exp": { - "value": 3.3603545440799996e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.06533635591307675, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 373, - 773 - ], - "units": "kelvin" - }, - "material": "pdag", - "source": "serra_hydrogen_1998-2", - "year": 1998, - "isotope": "D", - "author": "serra", - "note": "Figure 2 or Equation 7", - "doi": "10.1007/s11661-998-1011-3", - "type": "Permeability", - "pre_exp": { - "value": 2.06559428068e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.06380244400394995, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 548, - 973 - ], - "units": "kelvin" - }, - "material": "zirconium", - "source": "kearns_diffusion_1972", - "year": 1972, - "isotope": "H", - "author": "kearns", - "note": null, - "doi": "10.1016/0022-3115(72)90065-7", - "type": "Diffusivity", - "pre_exp": { - "value": 7.73e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.4696332489387041, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 602, - 1069 - ], - "units": "kelvin" - }, - "material": "zirconium", - "source": "kearns_terminal_1967", - "year": 1967, - "isotope": "H", - "author": "kearns", - "note": "this was found in Shimada 2020 review 'Tritium Transport in Fusion Reactor Materials'however, I can't find this activation energy in Kearns paper", - "doi": "10.1016/0022-3115(67)90047-5", - "type": "Solubility", - "pre_exp": { - "value": 2.5895205268e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": -0.5130313479849776, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 872.62912452734, - 1048.7287131478972 - ], - "units": "kelvin" - }, - "material": "zirconium", - "source": "yamanaka_effect_1989", - "year": 1989, - "isotope": "H", - "author": "yamanaka", - "note": null, - "doi": "10.1016/0022-3115(89)90446-7", - "type": "Solubility", - "pre_exp": { - "value": 3.355986827215803e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": -0.5541820830913079, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 1048.7287131478972, - 1023.3430322136861, - 999.1382887355372, - 973.1314181543121, - 947.9710396547486, - 923.2104327249714, - 898.0345801455298, - 872.62912452734 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.5745015859070098e+26, - 1.7846469783434182e+26, - 2.099307493623344e+26, - 2.4600206702940977e+26, - 2.9585121295871072e+26, - 3.505464858771197e+26, - 4.342324207653759e+26, - 5.3985517630424875e+26 - ], - "units": "particle / meter ** 3 / pascal ** 0.5" - } - }, - { - "range": { - "value": [ - 673, - 1473 - ], - "units": "kelvin" - }, - "material": "beryllium", - "source": "Shapovalov, V.I., Dukel'skii, Y.M., 1988. Izv. Akad. Nauk SSR Met. 5, 201\u2013203", - "year": 1988, - "isotope": "H", - "author": "shapovalov", - "note": "couldn't find the original paper so took values from Shimada 2020 review", - "doi": null, - "type": "Solubility", - "pre_exp": { - "value": 1.1442067444e+22, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.17411973022520452, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 620, - 775 - ], - "units": "kelvin" - }, - "material": "beryllium", - "source": "abramov_deuterium_1990", - "year": 1990, - "isotope": "D", - "author": "abramov", - "note": null, - "doi": "10.1016/0022-3115(90)90274-Q", - "type": "Diffusivity", - "pre_exp": { - "value": 8e-09, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.3637858649348023, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 400, - 900 - ], - "units": "kelvin" - }, - "material": "beryllium", - "source": "jones_hydrogen_1967", - "year": 1967, - "isotope": "T", - "author": "jones", - "note": "Jones also gives a solubility but the units are weird", - "doi": "10.1016/0022-3115(67)90190-0", - "type": "Diffusivity", - "pre_exp": { - "value": 1.4590058497868585e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.08315405, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 333, - 800 - ], - "units": "kelvin" - }, - "material": "beryllium", - "source": "dolan_assessment_1994", - "year": 1994, - "isotope": "H", - "author": "dolan", - "note": "Comes from a review (p. 14). The data from Hsu 1990 https://doi.org/10.1016/0022-3115(90)90049-S (range taking from them) seems to have been used by the PERI code to extract D/2kr then using D from another source Dolan obtained Kr.", - "doi": "10.2172/10191406", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.46e-29, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.214, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 900, - 1473 - ], - "units": "kelvin" - }, - "material": "carbon", - "source": "causey_interaction_1989", - "year": 1989, - "isotope": "H", - "author": "causey", - "note": null, - "doi": "10.1016/0022-3115(89)90265-1", - "type": "Diffusivity", - "pre_exp": { - "value": 9.3e-05, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 2.8, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 773.15, - 1173.15 - ], - "units": "kelvin" - }, - "material": "carbon", - "source": "atsumi_absorption_1988", - "year": 1988, - "isotope": "D", - "author": "atsumi", - "note": "Equation 5 of Atsumi's paper", - "doi": "10.1016/0022-3115(88)90247-4", - "type": "Diffusivity", - "pre_exp": { - "value": 0.00016900000000000002, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 2.6014316837218057, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1123.15, - 1323.15 - ], - "units": "kelvin" - }, - "material": "carbon", - "source": "atsumi_absorption_1988", - "year": 1988, - "isotope": "H", - "author": "atsumi", - "note": null, - "doi": "10.1016/0022-3115(88)90247-4", - "type": "Solubility", - "pre_exp": { - "value": 1.1442067444e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": -0.19899397740023372, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 773, - 1273 - ], - "units": "kelvin" - }, - "material": "gold", - "source": "eichenauer_messung_1962", - "year": 1962, - "isotope": "H", - "author": "eichenauer", - "note": null, - "doi": null, - "type": "Diffusivity", - "pre_exp": { - "value": 5.6e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.2445967638877873, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 773, - 873 - ], - "units": "kelvin" - }, - "material": "gold", - "source": "shimada_608_2020", - "year": 2020, - "isotope": "H", - "author": "shimada", - "note": "this was computed from the permeability of Caskey and Derrick and the diffusivity of Eichenauer", - "doi": "10.1016/B978-0-12-803581-8.11754-0", - "type": "Solubility", - "pre_exp": { - "value": 4.6972697928e+25, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 1.0302084038324602, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 966.15, - 1323.15 - ], - "units": "kelvin" - }, - "material": "gold", - "source": "mclellan_solid_1973", - "year": 1973, - "isotope": "H", - "author": "mclellan", - "note": null, - "doi": "10.1016/S0022-3697(73)80022-8", - "type": "Solubility", - "pre_exp": { - "value": 1.9719039367866987e+24, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.2852967882616541, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 1323.15, - 1270.15, - 1221.15, - 1212.15, - 1183.15, - 1151.15, - 1111.15, - 1078.15, - 1066.15, - 1050.15, - 1008.15, - 966.15 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.6885610366274507e+23, - 1.4819189517254898e+23, - 1.3166052838039213e+23, - 1.1394834967450977e+23, - 1.1571956754509803e+23, - 1.1571956754509803e+23, - 9.800738883921567e+22, - 9.800738883921567e+22, - 9.800738883921567e+22, - 7.675277439215685e+22, - 7.498155652156862e+22, - 6.2583031427450974e+22 - ], - "units": "particle / meter ** 3 / pascal ** 0.5" - } - }, - { - "range": { - "value": [ - 573, - 1073 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "volkl_5_1975", - "year": 1975, - "isotope": "H", - "author": "v\u00f6lkl", - "note": null, - "doi": "10.1016/B978-0-12-522660-8.50010-6", - "type": "Diffusivity", - "pre_exp": { - "value": 4e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.046639213453179784, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 500, - 1000 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "tahara_measurements_1985", - "year": 1985, - "isotope": "H", - "author": "tahara", - "note": null, - "doi": "10.2320/matertrans1960.26.869", - "type": "Diffusivity", - "pre_exp": { - "value": 4.43e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.05493062917818952, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 500, - 1000 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "tahara_measurements_1985", - "year": 1985, - "isotope": "D", - "author": "tahara", - "note": null, - "doi": "10.2320/matertrans1960.26.869", - "type": "Diffusivity", - "pre_exp": { - "value": 4.28e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.06705682467601626, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 473, - 1183 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "eichenauer_diffusion_1958", - "year": 1958, - "isotope": "H", - "author": "eichenauer", - "note": null, - "doi": "10.1515/ijmr-1958-490502", - "type": "Solubility", - "pre_exp": { - "value": 4.161987267136812e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.2518517526471708, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873.15, - 1173.15 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "nagasaki_ion-driven_1993", - "year": 1993, - "isotope": "D", - "author": "nagasaki", - "note": "gamma iron, Nagasaki also gives an equivalent form for the recombination coefficient. Here we take the Arrhenius one (Eq. 9)", - "doi": "10.1016/0022-3115(93)90392-C", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.26e-25, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.40627937052547725, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1173.15, - 1323.15 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "nagasaki_ion-driven_1993", - "year": 1993, - "isotope": "D", - "author": "nagasaki", - "note": "gamma iron, Nagasaki also gives an equivalent form for the recombination coefficient. Here we take the Arrhenius one (Eq. 9)", - "doi": "10.1016/0022-3115(93)90392-C", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 9.93e-28, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.8167044489134593, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 298.15, - 318.15 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "addach_hydrogen_2005", - "year": 2005, - "isotope": "H", - "author": "addach", - "note": null, - "doi": "10.1016/j.matlet.2004.12.037", - "type": "Diffusivity", - "pre_exp": { - "value": 1.02e-10, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.20313968526273862, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 473.15, - 1123.15 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "masui_hydrogen_1978", - "year": 1978, - "isotope": "H", - "author": "masui", - "note": "alpha phase", - "doi": "10.2355/tetsutohagane1955.64.5_615", - "type": "Permeability", - "pre_exp": { - "value": 2.4687961566187948e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.35515201374034966, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1203.15, - 1273.15 - ], - "units": "kelvin" - }, - "material": "iron", - "source": "masui_hydrogen_1978", - "year": 1978, - "isotope": "H", - "author": "masui", - "note": "gamma phase", - "doi": "10.2355/tetsutohagane1955.64.5_615", - "type": "Permeability", - "pre_exp": { - "value": 3.5611838365386157e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.7328533616864358, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "hastelloy_x", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Diffusivity", - "pre_exp": { - "value": 4.9e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.45, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "hastelloy_x", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Solubility", - "pre_exp": { - "value": 1.0264822710484125e+24, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.22, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "hastelloy_x", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Permeability", - "pre_exp": { - "value": 5.007230590480062e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.67, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1073.15, - 1273.15 - ], - "units": "kelvin" - }, - "material": "hastelloy_x", - "source": "masui_hydrogen_1978", - "year": 1978, - "isotope": "H", - "author": "masui", - "note": null, - "doi": "10.2355/tetsutohagane1955.64.5_615", - "type": "Permeability", - "pre_exp": { - "value": 5.003135574032779e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.6938256678688149, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 666.6666666666666, - 714.2857142857143 - ], - "units": "kelvin" - }, - "material": "hastelloy_n", - "source": "webb_permeation_1965", - "year": 1965, - "isotope": "H", - "author": "webb", - "note": "Table 1", - "doi": "10.2172/4583045", - "type": "Permeability", - "pre_exp": { - "value": 4.396757077456207e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.5984246385368529, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673.15, - 1073.15 - ], - "units": "kelvin" - }, - "material": "hastelloy_n", - "source": "zhang_diffusion_2020", - "year": 2020, - "isotope": "H", - "author": "zhang", - "note": null, - "doi": "10.1080/15361055.2020.1725368", - "type": "Permeability", - "pre_exp": { - "value": 1.50553519e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.6246545321829212, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673.15, - 1073.15 - ], - "units": "kelvin" - }, - "material": "hastelloy_n", - "source": "zhang_diffusion_2020", - "year": 2020, - "isotope": "D", - "author": "zhang", - "note": null, - "doi": "10.1080/15361055.2020.1725368", - "type": "Permeability", - "pre_exp": { - "value": 1.1442067444e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.6281783838660503, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673.15, - 1073.15 - ], - "units": "kelvin" - }, - "material": "hastelloy_n", - "source": "zhang_diffusion_2020", - "year": 2020, - "isotope": "H", - "author": "zhang", - "note": null, - "doi": "10.1080/15361055.2020.1725368", - "type": "Diffusivity", - "pre_exp": { - "value": 7e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.4571679345377245, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673.15, - 1073.15 - ], - "units": "kelvin" - }, - "material": "hastelloy_n", - "source": "zhang_diffusion_2020", - "year": 2020, - "isotope": "D", - "author": "zhang", - "note": null, - "doi": "10.1080/15361055.2020.1725368", - "type": "Diffusivity", - "pre_exp": { - "value": 6.1e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.45291858397865703, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673.15, - 1073.15 - ], - "units": "kelvin" - }, - "material": "hastelloy_n", - "source": "zhang_diffusion_2020", - "year": 2020, - "isotope": "H", - "author": "zhang", - "note": null, - "doi": "10.1080/15361055.2020.1725368", - "type": "Solubility", - "pre_exp": { - "value": 2.1679706736e+16, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.18241114595021427, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673.15, - 1073.15 - ], - "units": "kelvin" - }, - "material": "hastelloy_n", - "source": "zhang_diffusion_2020", - "year": 2020, - "isotope": "D", - "author": "zhang", - "note": null, - "doi": "10.1080/15361055.2020.1725368", - "type": "Solubility", - "pre_exp": { - "value": 1.8668636356e+16, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.1845876425780293, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 500, - 1100 - ], - "units": "kelvin" - }, - "material": "molybdenum", - "source": "tanabe_hydrogen_1992", - "year": 1992, - "isotope": "H", - "author": "tanabe", - "note": null, - "doi": "10.1016/S0022-3115(09)80083-4", - "type": "Diffusivity", - "pre_exp": { - "value": 4e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.23112321333464647, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 833, - 1193 - ], - "units": "kelvin" - }, - "material": "molybdenum", - "source": "katsuta_diffusivity_1982", - "year": 1982, - "isotope": "H", - "author": "katsuta", - "note": null, - "doi": "10.1016/0022-3697(82)90104-4", - "type": "Diffusivity", - "pre_exp": { - "value": 2.3957126498553932e-08, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.10909121999999999, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 500, - 1100 - ], - "units": "kelvin" - }, - "material": "molybdenum", - "source": "tanabe_hydrogen_1992", - "year": 1992, - "isotope": "H", - "author": "tanabe", - "note": null, - "doi": "10.1016/S0022-3115(09)80083-4", - "type": "Solubility", - "pre_exp": { - "value": 1.9873064508e+24, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.38762368514420525, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 833, - 1193 - ], - "units": "kelvin" - }, - "material": "molybdenum", - "source": "katsuta_diffusivity_1982", - "year": 1982, - "isotope": "H", - "author": "katsuta", - "note": null, - "doi": "10.1016/0022-3697(82)90104-4", - "type": "Solubility", - "pre_exp": { - "value": 3.6258996328815706e+27, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.67755471, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1323.15, - 2673.15 - ], - "units": "kelvin" - }, - "material": "molybdenum", - "source": "frauenfelder_permeation_1968", - "year": 1968, - "isotope": "H", - "author": "frauenfelder", - "note": null, - "doi": "10.1063/1.1669720", - "type": "Permeability", - "pre_exp": { - "value": 1.9793814061241245e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.93232824119872, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 300, - 1473 - ], - "units": "kelvin" - }, - "material": "nickel", - "source": "volkl_5_1975", - "year": 1975, - "isotope": "H", - "author": "v\u00f6lkl", - "note": null, - "doi": "10.1016/B978-0-12-522660-8.50010-6", - "type": "Diffusivity", - "pre_exp": { - "value": 6.87e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.41975292107861806, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 273, - 1673 - ], - "units": "kelvin" - }, - "material": "nickel", - "source": "W.M.Robertson: Zeitschrift f\u00fcr Metallkunde, 1973, 64[6], 436-43", - "year": 1973, - "isotope": "H", - "author": "Robertson", - "note": null, - "doi": null, - "type": "Diffusivity", - "pre_exp": { - "value": 3.72e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.41664364018173944, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 300, - 500 - ], - "units": "kelvin" - }, - "material": "nickel", - "source": "louthan_hydrogen_1975", - "year": 1975, - "isotope": "H", - "author": "louthan", - "note": null, - "doi": "10.1016/0001-6160(75)90057-7", - "type": "Diffusivity", - "pre_exp": { - "value": 7e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.40938865142235586, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 300, - 500 - ], - "units": "kelvin" - }, - "material": "nickel", - "source": "louthan_hydrogen_1975", - "year": 1975, - "isotope": "D", - "author": "louthan", - "note": null, - "doi": "10.1016/0001-6160(75)90057-7", - "type": "Diffusivity", - "pre_exp": { - "value": 4.949747468305833e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.40938865142235586, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 300, - 500 - ], - "units": "kelvin" - }, - "material": "nickel", - "source": "louthan_hydrogen_1975", - "year": 1975, - "isotope": "T", - "author": "louthan", - "note": null, - "doi": "10.1016/0001-6160(75)90057-7", - "type": "Diffusivity", - "pre_exp": { - "value": 4.0414518843273806e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.40938865142235586, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 273, - 1673 - ], - "units": "kelvin" - }, - "material": "nickel", - "source": "W.M.Robertson: Zeitschrift f\u00fcr Metallkunde, 1973, 64[6], 436-43", - "year": 1973, - "isotope": "H", - "author": "Robertson", - "note": null, - "doi": null, - "type": "Solubility", - "pre_exp": { - "value": 5.044342487890743e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.12955337070327716, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 300, - 500 - ], - "units": "kelvin" - }, - "material": "nickel", - "source": "louthan_hydrogen_1975", - 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"units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.6225706261321385, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 500.0, - 550.0, - 600.0, - 650.0, - 700.0, - 723.0 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 10358082107.2, - 38481479456.399994, - 115022888516.00002, - 290267184632.0, - 644369061320.0, - 891276832480.0 - ], - "units": "particle / meter / pascal ** 0.5 / second" - } - }, - { - "range": { - "value": [ - 500.0, - 723.0 - ], - "units": "kelvin" - }, - "material": "316l_steel", - "source": "shan_behavior_1991", - "year": 1991, - "isotope": "h", - "author": "shan", - "note": "Table 1", - "doi": "https://doi.org/10.1016/0022-3115(91)90091-K", - "type": "Diffusivity", - "pre_exp": { - "value": 5.908126516454527e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5584438720037374, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 500.0, - 550.0, - 600.0, - 650.0, - 700.0, - 723.0 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 1.39e-12, - 4.51e-12, - 1.2e-11, - 2.76e-11, - 5.64e-11, - 7.57e-11 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 500.0, - 723.0 - ], - "units": "kelvin" - }, - "material": "316l_steel", - "source": "shan_behavior_1991", - "year": 1991, - "isotope": "t", - "author": "shan", - "note": "Table 1", - "doi": "https://doi.org/10.1016/0022-3115(91)90091-K", - "type": "Diffusivity", - "pre_exp": { - "value": 2.2831488511401259e-10, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.15678797588923868, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 500.0, - 550.0, - 600.0, - 650.0, - 700.0, - 723.0 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 6e-12, - 8.35e-12, - 1.1e-11, - 1.39e-11, - 1.7e-11, - 1.84e-11 - ], - "units": "meter ** 2 / second" - } - }, - { - "range": { - "value": [ - 500.0, - 723.0 - ], - "units": "kelvin" - }, - 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}, - "material": "316l_steel", - "source": "penzhorn_distribution_2010", - "year": 2010, - "isotope": "T", - "author": "penzhorn", - "note": "Section III.B, temperature range is unclear", - "doi": "10.13182/FST57-3-185", - "type": "Diffusivity", - "pre_exp": { - "value": 1.9e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.6353297299288713, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 373.0, - 473.0 - ], - "units": "kelvin" - }, - "material": "316l_steel", - "source": "penzhorn_distribution_2010", - "year": 2010, - "isotope": "T", - "author": "penzhorn", - "note": "Section III.C, temperature range is unclear", - "doi": "10.13182/FST57-3-185", - "type": "Diffusivity", - "pre_exp": { - "value": 1.5e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5938726513038226, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "uncertainties given in paper", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "Permeability", - "pre_exp": { - "value": 2.8906275647999994e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.6884983, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "uncertainties given in paper", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "Diffusivity", - "pre_exp": { - "value": 1.22e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.568722, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "this is not calculated by Grant in the paper.solubility=permeability/diffusivity was done in HTM", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "Solubility", - "pre_exp": { - "value": 2.3693668563934423e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.11977630000000006, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "ion-beamed cleaned surface. uncertainties given in paper", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "DissociationCoeff", - "pre_exp": { - "value": 6.805019058799999e+21, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.8031043999999999, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "activated surface. uncertainties given in paper", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "DissociationCoeff", - "pre_exp": { - "value": 7.0459046892e+22, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 1.0995291999999999, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "oxidized surface. uncertainties given in paper", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "DissociationCoeff", - "pre_exp": { - "value": 8.6116612868e+18, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.6600621999999999, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "ion-beamed cleaned surface. not given in paper, calculated in HTM", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.2121733388746335e-25, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.5635517999999998, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "activated surface. not given in paper, calculated in HTM", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.255082129631258e-24, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.8599765999999998, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 645, - 965 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "grant_hydrogen_1987", - "year": 1987, - "isotope": "H", - "author": "grant", - "note": "oxidized surface. not given in paper, calculated in HTM", - "doi": "10.1016/0022-3115(87)90476-4", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.533989269549315e-28, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.4205095999999998, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 373.15, - 873.15 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "braun_determination_1980", - "year": 1980, - "isotope": "D", - "author": "braun", - "note": "Braun doesn't plot the permeability and assumes a solubility from N.L. Hawkins, Report KAPL 863 (1953). However we can't find this report.", - "doi": "10.1016/0022-3115(80)90219-6", - "type": "Diffusivity", - "pre_exp": { - "value": 1.8e-05, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.6417887427786538, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "braun_determination_1980", - "year": 1980, - "isotope": "D", - "author": "braun", - "note": null, - "doi": "10.1016/0022-3115(80)90219-6", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 5.4000000000000005e-27, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.6764800261720946, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 373.15, - 873.15 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "braun_determination_1980", - "year": 1980, - "isotope": "D", - "author": "braun", - "note": "not given in paper, calculated in HTM using Hawkins solubility, differs from Fuerst 2020 review (Table 5)", - "doi": "10.1016/0022-3115(80)90219-6", - "type": "DissociationCoeff", - "pre_exp": { - "value": 2.613599999999999e+19, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.8239179805942177, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 373.15, - 873.15 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "braun_determination_1980", - "year": 1980, - "isotope": "D", - "author": "braun", - "note": "Braun doesn't plot the permeability and assumes a solubility from N.L. Hawkins, Report KAPL 863 (1953)", - "doi": "10.1016/0022-3115(80)90219-6", - "type": "Permeability", - "pre_exp": { - "value": 1.252261953426678e+18, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.7155077199897154, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 573.15, - 1073.15 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "N.L. Hawkins, Report KAPL 863 (1953)", - "year": 1953, - "isotope": "H", - "author": "N.L. Hawkins", - "note": "Found in Braun 1980 braun_determination_1980 paper but couldn't find the original reference. Range is assumed from https://doi.org/10.2172/4414215", - "doi": null, - "type": "Solubility", - "pre_exp": { - "value": 6.957010852370433e+22, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.07371897721106159, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 629.1303198519693, - 932.6018808777429 - ], - "units": "kelvin" - }, - "material": "304_steel", - "source": "hu_hydrogen_2015", - "year": 2015, - "isotope": "H", - "author": "hu", - "note": "Figure 6", - "doi": "10.1016/j.jnucmat.2015.02.040", - "type": "Permeability", - "pre_exp": { - "value": 1.0162160572469555e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.6699441279400571, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 932.6018808777429, - 883.1168831168832, - 827.538247566064, - 778.5410533202486, - 730.0613496932515, - 680.0, - 629.1303198519693 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 19932091977905.46, - 19482823335225.832, - 11933850840450.963, - 3773814991253.9717, - 1861443729650.9712, - 950103032736.6299, - 549726840511.20624 - ], - "units": "particle / meter / pascal ** 0.5 / second" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Diffusivity", - "pre_exp": { - "value": 4.9e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.44, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Solubility", - "pre_exp": { - "value": 9.013015062864111e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.22, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Permeability", - "pre_exp": { - "value": 4.450871635982278e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.66, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "H", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "Diffusivity", - "pre_exp": { - "value": 1.7000000000000002e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5160328404774311, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "D", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "Diffusivity", - "pre_exp": { - "value": 2.0000000000000003e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5377148925983316, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "H", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "Permeability", - "pre_exp": { - "value": 2.3999999999999996e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.5724061759917723, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "D", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "Permeability", - "pre_exp": { - "value": 2.3999999999999996e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.5897518176884927, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "H", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "Solubility", - "pre_exp": { - "value": 1.3999999999999996e+22, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.05637333551434122, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "D", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "Solubility", - "pre_exp": { - "value": 1.1999999999999996e+22, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.05203692509016112, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "H", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "DissociationCoeff", - "pre_exp": { - "value": 2.6000000000000005e+18, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.5507241238708719, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "D", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "DissociationCoeff", - "pre_exp": { - "value": 2.0000000000000003e+17, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.47700514665981025, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "H", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.3e-26, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.4379774528421894, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 423.15, - 673.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "rota_measurements_1982", - "year": 1982, - "isotope": "D", - "author": "rota", - "note": null, - "doi": "10.1016/0022-3115(82)90214-8", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.4e-27, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.37293129647948803, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1073.15, - 1273.15 - ], - "units": "kelvin" - }, - "material": "inconel_600", - "source": "masui_hydrogen_1978", - "year": 1978, - "isotope": "H", - "author": "masui", - "note": null, - "doi": "10.2355/tetsutohagane1955.64.5_615", - "type": "Permeability", - "pre_exp": { - "value": 5.549329413992689e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.6851528470204548, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 650, - 900 - ], - "units": "kelvin" - }, - "material": "inconel_625", - "source": "gervasini_solubility_1984", - "year": 1984, - "isotope": "H", - "author": "gervasini", - "note": null, - "doi": "10.13182/FST84-A23218", - "type": "Diffusivity", - "pre_exp": { - "value": 1.75e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5451605839193904, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 650, - 900 - ], - "units": "kelvin" - }, - "material": "inconel_625", - "source": "gervasini_solubility_1984", - "year": 1984, - "isotope": "D", - "author": "gervasini", - "note": null, - "doi": "10.13182/FST84-A23218", - "type": "Diffusivity", - "pre_exp": { - "value": 2.39e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5928362243381964, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 650, - 900 - ], - "units": "kelvin" - }, - "material": "inconel_625", - "source": "gervasini_solubility_1984", - "year": 1984, - "isotope": "H", - "author": "gervasini", - "note": "the value of the pre-exp factor conversion was taken from Shimada 2020", - "doi": "10.13182/FST84-A23218", - "type": "Solubility", - "pre_exp": { - "value": 1.25862741884e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.10903211678387806, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 450, - 620 - ], - "units": "kelvin" - }, - "material": "inconel_625", - "source": "perujo_low_1996", - "year": 1996, - "isotope": "T", - "author": "perujo", - "note": "clean surface, stationary", - "doi": "10.1016/0920-3796(94)00434-X", - "type": "DissociationCoeff", - "pre_exp": { - "value": 9.635425216e+20, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.4995577974318368, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 450, - 620 - ], - "units": "kelvin" - }, - "material": "inconel_625", - "source": "perujo_low_1996", - "year": 1996, - "isotope": "T", - "author": "perujo", - "note": "clean surface, stationary", - "doi": "10.1016/0920-3796(94)00434-X", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 3.321078134347693e-27, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.119189101047015, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 450, - 620 - ], - "units": "kelvin" - }, - "material": "inconel_625", - "source": "perujo_low_1996", - "year": 1996, - "isotope": "T", - "author": "perujo", - "note": "oxidised surface, stationary", - "doi": "10.1016/0920-3796(94)00434-X", - "type": "DissociationCoeff", - "pre_exp": { - "value": 1.5657565976e+23, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 1.1535432127419798, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 450, - 620 - ], - "units": "kelvin" - }, - "material": "inconel_625", - "source": "perujo_low_1996", - "year": 1996, - "isotope": "T", - "author": "perujo", - "note": "oxidised surface, stationary", - "doi": "10.1016/0920-3796(94)00434-X", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 5.313725014956309e-23, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 1.0053341566574308, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "inconel_750", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Diffusivity", - "pre_exp": { - "value": 1.6000000000000001e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.55, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "inconel_750", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Solubility", - "pre_exp": { - "value": 3.505061413336043e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.12, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "inconel_750", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Permeability", - "pre_exp": { - "value": 5.63313441429007e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.67, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "nimonic_80a", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Diffusivity", - "pre_exp": { - "value": 1.4000000000000001e-06, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.55, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "nimonic_80a", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Solubility", - "pre_exp": { - "value": 4.256146001908052e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": 0.12, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 873, - 1173 - ], - "units": "kelvin" - }, - "material": "nimonic_80a", - "source": "kishimoto_hydrogen_1985", - "year": 1985, - "isotope": "H", - "author": "kishimoto", - "note": null, - "doi": "10.1016/0022-3115(85)90056-X", - "type": "Permeability", - "pre_exp": { - "value": 5.63313441429007e+17, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.67, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1023, - 1223 - ], - "units": "kelvin" - }, - "material": "incoloy_800", - "source": "schmidt_studies_1985", - "year": 1985, - "isotope": "H", - "author": "schmidt", - "note": "sample No. 1.2 Material 1.4876 (second line of Table 2 in Schmidt's paper)in Shimada 2020 review, the S_0 factor is wrong", - "doi": "10.1016/0022-3115(85)90461-1", - "type": "Diffusivity", - "pre_exp": { - "value": 9.7e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.5845448086131866, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 1023, - 1223 - ], - "units": "kelvin" - }, - "material": "incoloy_800", - "source": "schmidt_studies_1985", - "year": 1985, - "isotope": "H", - "author": "schmidt", - "note": "sample No. 1.2 Material 1.4876 (second line of Table 2 in Schmidt's paper)in Shimada 2020 review, the S_0 factor is wrong", - "doi": "10.1016/0022-3115(85)90461-1", - "type": "Permeability", - "pre_exp": { - "value": 1.5094272372586388e+16, - "units": "particle / meter / pascal ** 0.5 / second" - 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1223.15, - 1173.15, - 1123.15, - 1073.15, - 1023.15, - 973.15 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 7.626746385351366e+26, - 1.1217345199073488e+27, - 1.6983270301400982e+27, - 2.615633296419472e+27, - 4.1934000744199956e+27, - 7.312241379769866e+27, - 1.1820146459771362e+28 - ], - "units": "particle / meter ** 3 / pascal ** 0.5" - } - }, - { - "range": { - "value": [ - 973.15, - 1273.15 - ], - "units": "kelvin" - }, - "material": "yttrium", - "source": "begun_equilibrium_2008", - "year": 2008, - "isotope": "T", - "author": "begun", - "note": "table I", - "doi": "10.1063/1.439496", - "type": "Solubility", - "pre_exp": { - "value": 1.2685637634562735e+23, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": -0.939869846466639, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 1273.15, - 1223.15, - 1173.15, - 1123.15, - 1073.15, - 1023.15, - 973.15 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 6.290100111629992e+26, - 9.382732666514738e+26, - 1.428376900349311e+27, - 2.2015350390704972e+27, - 3.3547200595359963e+27, - 5.582463849071618e+27, - 8.75372265535174e+27 - ], - "units": "particle / meter ** 3 / pascal ** 0.5" - } - }, - { - "range": { - "value": [ - 515, - 742 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "forcey_permeability_1993", - "year": 1993, - "isotope": "D", - "author": "forcey", - "note": "Equation 8", - "doi": "https://doi.org/10.1016/0022-3115(93)90427-Z", - "type": "Permeability", - "pre_exp": { - "value": 5.01042111232e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.7825023590477941, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 515, - 742 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "forcey_permeability_1993", - "year": 1993, - "isotope": "D", - "author": "forcey", - "note": "Equation 9", - "doi": "https://doi.org/10.1016/0022-3115(93)90427-Z", - "type": "Diffusivity", - "pre_exp": { - "value": 0.000318, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.9130921567166974, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "D", - "author": "tominetti", - "note": "Equation 9", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "Diffusivity", - "pre_exp": { - "value": 0.000196, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.9897877521730376, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "H", - "author": "tominetti", - "note": "Equation 8", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "Diffusivity", - "pre_exp": { - "value": 5.53e-05, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.8768172129197799, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 515, - 742 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "forcey_permeability_1993", - "year": 1993, - "isotope": "D", - "author": "forcey", - "note": "Equation 10", - "doi": "https://doi.org/10.1016/0022-3115(93)90427-Z", - "type": "Solubility", - "pre_exp": { - "value": 1.57780087912e+20, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": -0.13058979766890338, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "D", - "author": "tominetti", - "note": "Equation 13", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "Solubility", - "pre_exp": { - "value": 2.15592639208e+20, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": -0.17515615719083072, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "H", - "author": "tominetti", - "note": "Equation 12", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "Solubility", - "pre_exp": { - "value": 4.1552771244e+20, - "units": "particle / meter ** 3 / pascal ** 0.5" - }, - "act_energy": { - "value": -0.12229838194389366, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "D", - "author": "tominetti", - "note": "Equation 16", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "DissociationCoeff", - "pre_exp": { - "value": 4.2757199396e+17, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.7866480669102991, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "H", - "author": "tominetti", - "note": "Equation 15", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "DissociationCoeff", - "pre_exp": { - "value": 5.30550600956e+16, - "units": "particle / meter ** 2 / pascal / second" - }, - "act_energy": { - "value": 0.634293302963245, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "D", - "author": "tominetti", - "note": "Equation 16", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 1.7053736219875403e-23, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 1.1566524936388585, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "H", - "author": "tominetti", - "note": "Equation 15", - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "RecombinationCoeff", - "pre_exp": { - "value": 4.317401574652001e-25, - "units": "meter ** 4 / particle / second" - }, - "act_energy": { - "value": 0.9016914600948092, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 673, - 873 - ], - "units": "kelvin" - }, - "material": "tzm", - "source": "tominetti_solubility_1990", - "year": 1990, - "isotope": "H", - "author": "tominetti", - "note": null, - "doi": "https://doi.org/10.1016/0022-3115(90)90125-7", - "type": "Permeability", - "pre_exp": { - "value": 2.2978682497932e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.7545188309758862, - "units": "electron_volt / particle" - } - }, - { - "range": { - "value": [ - 623.15, - 698.15 - ], - "units": "kelvin" - }, - "material": "pd52cu", - "source": "li_low_2023", - "year": 2023, - "isotope": "H", - "author": "li", - "note": "SI Table 1 (supporting information)", - "doi": "https://doi.org/10.1016/j.jnucmat.2023.154484", - "type": "Permeability", - "pre_exp": { - "value": 2.1494256520863124e+16, - "units": "particle / meter / pascal ** 0.5 / second" - }, - "act_energy": { - "value": 0.04826589650771628, - "units": "electron_volt / particle" - }, - "data_T": { - "value": [ - 623.15, - 648.15, - 673.15, - 698.15 - ], - "units": "kelvin" - }, - "data_y": { - "value": [ - 8732104102000000.0, - 9093432547600000.0, - 9334318178000000.0, - 9635425216000000.0 - ], - "units": "particle / meter / pascal ** 0.5 / second" - } - }, - { - "range": { - "value": [ - 323.15, - 873.15 - ], - "units": "kelvin" - }, - "material": "pd52cu", - "source": "piper_diffusion_2004", - "year": 2004, - "isotope": "H", - "author": "piper", - "note": "Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper. These range values were found outside of the paper.", - "doi": "10.1063/1.1708243", - "type": "Diffusivity", - "pre_exp": { - "value": 3.0000000000000004e-07, - "units": "meter ** 2 / second" - }, - "act_energy": { - "value": 0.10407385018032224, - "units": "electron_volt / particle" - } - } - ], - "htm_version": "0.1.dev1028+g6c1a840.d20240109" -} \ No newline at end of file From 7e64d77bcc547ea8e9d346c143a890b50f92f377 Mon Sep 17 00:00:00 2001 From: paulbrrn <145421807+paulbrrn@users.noreply.github.com> Date: Fri, 26 Jan 2024 15:07:18 +0900 Subject: [PATCH 088/123] Update molybdenum.py --- h_transport_materials/property_database/molybdenum.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index bd4cccab..aed79394 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -67,6 +67,7 @@ tanabe_solubility, katsuta_solubility, frauenfelder_permeability, + guthrie_permeability ] for prop in properties: From 4241a932b3a356bd75cb25b8a096c54d4456c3c4 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Tue, 6 Feb 2024 08:18:10 -0500 Subject: [PATCH 089/123] add PRs to workflow --- .github/workflows/ci.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index d4efc1ac..51394854 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -2,6 +2,7 @@ name: CI on: - push + - pull_request permissions: contents: read From 3872e2d4db548aa9ceea6bfdb782fdb083720e16 Mon Sep 17 00:00:00 2001 From: paulbrrn <145421807+paulbrrn@users.noreply.github.com> Date: Tue, 13 Feb 2024 10:01:30 +0900 Subject: [PATCH 090/123] Update h_transport_materials/property_database/molybdenum.py MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/property_database/molybdenum.py | 1 + 1 file changed, 1 insertion(+) diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index aed79394..74d834cc 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -59,6 +59,7 @@ u.Quantity(640, u.degC), ), source="guthrie_permeation_1974", + note="Figure 7", ) properties = [ From b2ae00ef3a661e070d6b634e08c8001e1e57e370 Mon Sep 17 00:00:00 2001 From: paulbrrn <145421807+paulbrrn@users.noreply.github.com> Date: Tue, 13 Feb 2024 10:01:41 +0900 Subject: [PATCH 091/123] Update h_transport_materials/references.bib MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: Rémi Delaporte-Mathurin <40028739+RemDelaporteMathurin@users.noreply.github.com> --- h_transport_materials/references.bib | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 3639df6d..825228b0 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2607,7 +2607,7 @@ @article{piper_diffusion_2004 eprint = {https://pubs.aip.org/aip/jap/article-pdf/37/2/715/7937414/715\_1\_online.pdf}, } -@article{Guthrie1974, +@article{guthrie_permeation_1974, abstract = {Interference microscopy and scanning electron microscopy have been used to measure mechanical effects of tritium decay and 3He accumulation in thin film tritides of Sc, Ti, Y, Ho, and Er, all of which exhibit thickness increase of 2-4% y-1, followed by the development of bubbles and craters and the occurrence of significant mechanical film failure. Scandium and erbium deuterotritide films have been subjected to 20 keV N2+ ion bombardment in an ion microprobe mass analyzer to produce sputter ion species characteristic not only of the original film (e.g., M+, MO+, MD+, MT+) but also of compounds formed during the sputtering operation (e.g., ScN+). Hydrogen isotope permeation has been measured for the homogeneous metals Cu, Ceramvar and Mo, for a Ceramvar-copper-Ceramvar laminate, and for tin-coated Rodar. Measured permeation rates through the laminate are significantly less than those predicted from the permeabilities of its individual constituents. Permeation rates of deuterium through Mo exhibit a somewhat lower activation energy than has been reported in the literature. {\textcopyright} 1974.}, author = {Guthrie, J.W. and Beavis, L.C. and Begeal, D.R. and Perkins, W.G.}, doi = {10.1016/0022-3115(74)90263-3}, From 729dbfb478877f783a7a6d5743cedf14f9a8f650 Mon Sep 17 00:00:00 2001 From: Paul Barron Date: Tue, 20 Feb 2024 18:07:12 +0900 Subject: [PATCH 092/123] fix Guthrie preexp --- h_transport_materials/property_database/molybdenum.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index 74d834cc..cc1a4065 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -51,7 +51,7 @@ guthrie_p_0 = 3.8e-3 * u.ccSTP * u.cm**-1 * u.s**-1 * u.atm**-0.5 guthrie_permeability = Permeability( - pre_exp=guthrie_p_0 / ((htm.Rg * 300 * u.K), + pre_exp=guthrie_p_0, act_energy=17.4 * u.kcal * u.mol**-1, isotope="D", range=( From 0b5edc1c543b8117fe015c9741a04bf97114ce5a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Wed, 21 Feb 2024 08:42:10 -0500 Subject: [PATCH 093/123] simple refactoring --- h_transport_materials/property_database/molybdenum.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index cc1a4065..3f442d70 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -49,9 +49,8 @@ source="frauenfelder_permeation_1968", ) -guthrie_p_0 = 3.8e-3 * u.ccSTP * u.cm**-1 * u.s**-1 * u.atm**-0.5 guthrie_permeability = Permeability( - pre_exp=guthrie_p_0, + pre_exp=3.8e-3 * u.ccSTP * u.cm**-1 * u.s**-1 * u.atm**-0.5, act_energy=17.4 * u.kcal * u.mol**-1, isotope="D", range=( From ee740a241182e02ad868bb78e548c86f9eececa0 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Sat, 2 Mar 2024 14:34:19 -0500 Subject: [PATCH 094/123] added Shimada tungsten permeability --- .../property_database/tungsten/tungsten.py | 10 ++++++++++ h_transport_materials/references.bib | 18 ++++++++++++++++++ 2 files changed, 28 insertions(+) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 32fc2e71..7bfa1398 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -457,6 +457,15 @@ isotope="T", ) +shimada_permeability = Permeability( + pre_exp=2.13e-9 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=93.32 * u.kJ * u.mol**-1, + isotope="T", + range=(573 * u.K, 873 * u.K), + note="polycristalline tungsten, pressure range 5.8e-2-6.8e-2 Pa, details in table 1", + source="shimada_tritium_2018" +) + properties = [ frauenfelder_diffusivity, liu_diffusivity_tungsten, @@ -500,6 +509,7 @@ bauchenaeur_permeability_ufg, otsuka_diffusivity, ikeda_diffusivity, + shimada_permeability, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 825228b0..ced29a44 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2621,3 +2621,21 @@ @article{guthrie_permeation_1974 volume = {53}, year = {1974} } + +@article{shimada_tritium_2018, + title = {Tritium permeability measurement in hydrogen-tritium system}, + volume = {129}, + issn = {0920-3796}, + url = {https://www.sciencedirect.com/science/article/pii/S0920379618301340}, + doi = {10.1016/j.fusengdes.2018.02.033}, + abstract = {Understanding of thermodynamic equilibria of multi-components hydrogen isotopes is required to accurately measure tritium permeability at the expected low tritium partial pressure and non-negligible high hydrogen partial pressure in a fusion blanket system. A gas-driven tritium permeation system that is capable of independently controlling hydrogen and tritium partial pressures was developed at Idaho National Laboratory to accurately measure low partial pressure tritium permeability. The thermodynamic equilibria for hydrogen (H) – tritium (T) permeation through metal are discussed to accurately measure tritium permeability, and the experimental conditions required for evaluating tritium permeability in H-T system are presented.}, + language = {en}, + urldate = {2022-04-28}, + journal = {Fusion Engineering and Design}, + author = {Shimada, M. and Pawelko, R. J.}, + month = apr, + year = {2018}, + keywords = {Hydrogen, Permeation, Tritium, Blanket, Reduced activation ferritic/martensitic steel}, + pages = {134--139}, + file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\2GMYKNEK\\Shimada et Pawelko - 2018 - Tritium permeability measurement in hydrogen-triti.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\ZK9KBPN2\\S0920379618301340.html:text/html}, +} \ No newline at end of file From 206f4cc330fcdf5ef366c97d7307619c050dc888 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 21 Mar 2024 08:54:45 -0400 Subject: [PATCH 095/123] added permeabilities of alpha-iron --- .../property_database/iron.py | 20 +++++++++++++++++++ 1 file changed, 20 insertions(+) diff --git a/h_transport_materials/property_database/iron.py b/h_transport_materials/property_database/iron.py index 02aef03f..9d944f36 100644 --- a/h_transport_materials/property_database/iron.py +++ b/h_transport_materials/property_database/iron.py @@ -36,6 +36,24 @@ source="tahara_measurements_1985", ) +tahara_permeability_h = Permeability( + pre_exp=1.77e-5 * u.mol * u.m**-1 * u.s**-1 * u.MPa**-0.5, + act_energy=31.6 * u.kJ * u.mol**-1, + isotope="H", + range=(500 * u.K, 1000 * u.K), + source="tahara_measurements_1985", + note="equation 4", +) + +tahara_permeability_d = Permeability( + pre_exp=1.05e-5 * u.mol * u.m**-1 * u.s**-1 * u.MPa**-0.5, + act_energy=32.4 * u.kJ * u.mol**-1, + isotope="D", + range=(500 * u.K, 1000 * u.K), + source="tahara_measurements_1985", + note="equation 5", +) + eichenauer_solubility = Solubility( S_0=4.90e-6 / IRON_MOLAR_VOLUME * u.mol * u.m**-3 * u.Pa**-0.5, E_S=24.3 * u.kJ * u.mol**-1, @@ -110,6 +128,8 @@ volkl_diffusivity, tahara_diffusivity_H, tahara_diffusivity_D, + tahara_permeability_h, + tahara_permeability_d, eichenauer_solubility, nagasaki_recombination_alpha, nagasaki_recombination_gamma, From 18e593402c133c3dd92856cc89e57e1b4eacc324 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 21 Mar 2024 09:26:39 -0400 Subject: [PATCH 096/123] added sherman diffusivities --- .../property_database/niobium.py | 26 +++++++++++++++++++ h_transport_materials/references.bib | 19 ++++++++++++++ 2 files changed, 45 insertions(+) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index 1d7958d1..b0241c57 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -67,6 +67,30 @@ isotope="H", ) +sherman_diffusivity_h = Diffusivity( + D_0=4.4e-8 * u.m**2 * u.s**-1, + E_D=12.8 * u.kJ * u.mol**-1, + range=( + u.Quantity(860, u.degC), + u.Quantity(1120, u.degC), + ), + source="sherman_hydrogen_1983", + note="equation 13, range taken from figure 9", + isotope="H", +) + +sherman_diffusivity_d = Diffusivity( + D_0=3.1e-8 * u.m**2 * u.s**-1, + E_D=14.0 * u.kJ * u.mol**-1, + range=( + u.Quantity(860, u.degC), + u.Quantity(1012, u.degC), + ), + source="sherman_hydrogen_1983", + note="equation after 15, range taken from figure 9", + isotope="D", +) + properties = [ volkl_diffusivity, qi_diffusivity_t, @@ -74,6 +98,8 @@ qi_diffusivity_h_low_temp, qi_diffusivity_h_high_temp, veleckis_solubility, + sherman_diffusivity_h, + sherman_diffusivity_d, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 825228b0..0a1a9e2b 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2621,3 +2621,22 @@ @article{guthrie_permeation_1974 volume = {53}, year = {1974} } + +@article{sherman_hydrogen_1983, + title = {Hydrogen permeation and diffusion in niobium}, + volume = {14}, + issn = {2379-0180}, + url = {https://doi.org/10.1007/BF02651617}, + doi = {10.1007/BF02651617}, + abstract = {High temperature hydrogen permeation experiments were performed on niobium using ultra high vacuum techniques in an attempt to maintain clean specimen surfaces. Diffusivities and permeabilities were measured from 700 K to about 1400 K at hydrogen pressures ranging from 4.26 Pa to about 0.013 Pa. The measured diffusivities are in agreement with values extrapolated from the low temperature surface independent measurements. In contrast to low temperature measurements, a trend indicating a classical isotope effect is observed for hydrogen and deuterium diffusivities in niobium at the higher temperatures. The measured hydrogen permeation constants agree with independent solubility and diffusivity measurements and are characterized by a negative enthalpy, as expected from low temperature solubility and diffusivity measurements. These results are contrasted with previous measurements which appear to have been controlled by surface reactions.}, + language = {en}, + number = {1}, + urldate = {2024-03-21}, + journal = {Metallurgical Transactions A}, + author = {Sherman, Robert and Birnbaum, H. K.}, + month = feb, + year = {1983}, + keywords = {Hydrogen Permeation, Isotope Effect, Metallurgical Transaction, Surface Barrier, Surface Impedance}, + pages = {203--210}, + file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\EYP2DBI2\\Sherman and Birnbaum - 1983 - Hydrogen permeation and diffusion in niobium.pdf:application/pdf}, +} From 52438de0657647d5e60724f55e94e2f43be2e512 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Thu, 21 Mar 2024 17:04:26 -0400 Subject: [PATCH 097/123] correct equation Co-authored-by: James Dark <65899899+jhdark@users.noreply.github.com> --- h_transport_materials/property_database/niobium.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/niobium.py b/h_transport_materials/property_database/niobium.py index b0241c57..d51c0841 100644 --- a/h_transport_materials/property_database/niobium.py +++ b/h_transport_materials/property_database/niobium.py @@ -87,7 +87,7 @@ u.Quantity(1012, u.degC), ), source="sherman_hydrogen_1983", - note="equation after 15, range taken from figure 9", + note="equation after 14, range taken from figure 9", isotope="D", ) From c3db0d803d4641d8925fc2997caf8abba9c5fe6f Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 21 Mar 2024 17:09:48 -0400 Subject: [PATCH 098/123] fixed reference --- .../property_database/tungsten/tungsten.py | 44 ++++--------------- h_transport_materials/references.bib | 26 +++++------ 2 files changed, 22 insertions(+), 48 deletions(-) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 7bfa1398..5f431c16 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -66,9 +66,7 @@ moore_diffusivity_tungsten_h = Diffusivity( data_T=[1783.0, 1890.0, 1960.0, 2045.0, 2175.0] * u.K, - data_y=np.array([6.45e-9, 1.26e-8, 1.81e-8, 3.01e-8, 5.15e-8]) - * u.cm**2 - * u.s**-1, + data_y=np.array([6.45e-9, 1.26e-8, 1.81e-8, 3.01e-8, 5.15e-8]) * u.cm**2 * u.s**-1, source="moore_thermal_2004", isotope="H", note="data in table IV. Units are not given but on page 2651 the equation indiquates that D is in cm2/s", @@ -77,9 +75,7 @@ zakharov_diffusivity_tungsten_h = Diffusivity( data_T=u.Quantity(np.array([400, 600, 800, 1000, 1200]), u.degC), - data_y=np.array([6.43e-8, 4.22e-6, 5.99e-5, 3.67e-4, 1.38e-3]) - * u.cm**2 - * u.s**-1, + data_y=np.array([6.43e-8, 4.22e-6, 5.99e-5, 3.67e-4, 1.38e-3]) * u.cm**2 * u.s**-1, source="zakharov_hydrogen_1975", isotope="H", note="the author gives activation energies in cal", @@ -274,11 +270,7 @@ rolled_114um_data_invT = liu_permeability_data["rolled_114umX"] * u.K**-1 rolled_114um_data_y = ( - liu_permeability_data["rolled_114umY"] - * u.mol - * u.m**-1 - * u.s**-1 - * u.Pa**-0.5 + liu_permeability_data["rolled_114umY"] * u.mol * u.m**-1 * u.s**-1 * u.Pa**-0.5 ) liu_permeability_rolled_114um = Permeability( data_T=1 / rolled_114um_data_invT, @@ -290,11 +282,7 @@ rolled_240um_data_invT = liu_permeability_data["rolled_240umX"] * u.K**-1 rolled_240um_data_y = ( - liu_permeability_data["rolled_240umY"] - * u.mol - * u.m**-1 - * u.s**-1 - * u.Pa**-0.5 + liu_permeability_data["rolled_240umY"] * u.mol * u.m**-1 * u.s**-1 * u.Pa**-0.5 ) liu_permeability_rolled_240um = Permeability( data_T=1 / rolled_240um_data_invT, @@ -306,11 +294,7 @@ annealed_50um_data_invT = liu_permeability_data["annealed_50umX"] * u.K**-1 annealed_50um_data_y = ( - liu_permeability_data["annealed_50umY"] - * u.mol - * u.m**-1 - * u.s**-1 - * u.Pa**-0.5 + liu_permeability_data["annealed_50umY"] * u.mol * u.m**-1 * u.s**-1 * u.Pa**-0.5 ) liu_permeability_annealed_50um = Permeability( data_T=1 / annealed_50um_data_invT, @@ -322,11 +306,7 @@ annealed_250um_data_invT = liu_permeability_data["annealed_250umX"] * u.K**-1 annealed_250um_data_y = ( - liu_permeability_data["annealed_250umY"] - * u.mol - * u.m**-1 - * u.s**-1 - * u.Pa**-0.5 + liu_permeability_data["annealed_250umY"] * u.mol * u.m**-1 * u.s**-1 * u.Pa**-0.5 ) liu_permeability_annealed_250um = Permeability( data_T=1 / annealed_250um_data_invT, @@ -396,9 +376,7 @@ ) -recrystallized_250um_data_invT = ( - liu_diffusivity_data["recrystallized_250umX"] * u.K**-1 -) +recrystallized_250um_data_invT = liu_diffusivity_data["recrystallized_250umX"] * u.K**-1 recrystallized_250um_data_y = ( liu_diffusivity_data["recrystallized_250umY"] * u.m**2 * u.s**-1 ) @@ -421,11 +399,7 @@ bauchenaeur_permeability_iter_grade = Permeability( data_T=1000 / (buchenauer_data["ITER_grade"]["x"] * u.K**-1), - data_y=buchenauer_data["ITER_grade"]["y"] - * u.mol - * u.m**-1 - * u.s**-1 - * u.MPa**-0.5, + data_y=buchenauer_data["ITER_grade"]["y"] * u.mol * u.m**-1 * u.s**-1 * u.MPa**-0.5, source="buchenauer_permeation_2016", isotope="D", note="ITER grade Tungsten", @@ -463,7 +437,7 @@ isotope="T", range=(573 * u.K, 873 * u.K), note="polycristalline tungsten, pressure range 5.8e-2-6.8e-2 Pa, details in table 1", - source="shimada_tritium_2018" + source="shimada_tritium_2019", ) properties = [ diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index ced29a44..68de2158 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2622,20 +2622,20 @@ @article{guthrie_permeation_1974 year = {1974} } -@article{shimada_tritium_2018, - title = {Tritium permeability measurement in hydrogen-tritium system}, - volume = {129}, +@article{shimada_tritium_2019, + series = {{SI}:{SOFT}-30}, + title = {Tritium permeability in polycrystalline tungsten}, + volume = {146}, issn = {0920-3796}, - url = {https://www.sciencedirect.com/science/article/pii/S0920379618301340}, - doi = {10.1016/j.fusengdes.2018.02.033}, - abstract = {Understanding of thermodynamic equilibria of multi-components hydrogen isotopes is required to accurately measure tritium permeability at the expected low tritium partial pressure and non-negligible high hydrogen partial pressure in a fusion blanket system. A gas-driven tritium permeation system that is capable of independently controlling hydrogen and tritium partial pressures was developed at Idaho National Laboratory to accurately measure low partial pressure tritium permeability. The thermodynamic equilibria for hydrogen (H) – tritium (T) permeation through metal are discussed to accurately measure tritium permeability, and the experimental conditions required for evaluating tritium permeability in H-T system are presented.}, - language = {en}, - urldate = {2022-04-28}, + url = {https://www.sciencedirect.com/science/article/pii/S0920379619304041}, + doi = {10.1016/j.fusengdes.2019.03.083}, + abstract = {A flowing hydrogen-tritium permeation system was used to investigate tritium permeation behavior in polycrystalline tungsten. Tritium permeability was measured with T2 partial pressure ranging from 5.8 × 10−2 Pa to 6.8 × 10−2 Pa over the temperature range from 573 to 873 K. The obtained tritium permeability in polycrystalline tungsten was PT [mol m−1s−1 Pa−0.5] = (2.13 × 10−9)exp(−93.32 [kJ mol−1]/RT). This is one of the first tritium permeability data from any polycrystalline tungsten via a gas-driven permeation technique. The tritium permeability in polycrystalline tungsten was compared with the reported hydrogen isotope permeability in other polycrystalline tungsten.}, + urldate = {2024-03-21}, journal = {Fusion Engineering and Design}, author = {Shimada, M. and Pawelko, R. J.}, - month = apr, - year = {2018}, - keywords = {Hydrogen, Permeation, Tritium, Blanket, Reduced activation ferritic/martensitic steel}, - pages = {134--139}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\2GMYKNEK\\Shimada et Pawelko - 2018 - Tritium permeability measurement in hydrogen-triti.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\ZK9KBPN2\\S0920379618301340.html:text/html}, + month = sep, + year = {2019}, + keywords = {Permeation, Tritium permeability, Tungsten}, + pages = {1988--1992}, + file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\K6L4T4HI\\S0920379619304041.html:text/html}, } \ No newline at end of file From a426b4f4423fba95092533f961e059de1354c063 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 27 Mar 2024 09:16:43 -0400 Subject: [PATCH 099/123] original units --- .../property_database/tungsten/tungsten.py | 17 ++++++++++------- 1 file changed, 10 insertions(+), 7 deletions(-) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 5f431c16..93031eae 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -9,19 +9,22 @@ u = htm.ureg -frauenfelder_src = "frauenfelder_solution_1969" frauenfelder_diffusivity = Diffusivity( - D_0=4.1e-7 * u.m**2 * u.s**-1, - E_D=0.39 * u.eV * u.particle**-1, + D_0=4.1e-3 * u.cm**2 * u.s**-1, + E_D=9000 * u.cal * u.mol**-1, range=(1100 * u.K, 2400 * u.K), - source=frauenfelder_src, + source="frauenfelder_solution_1969", isotope="H", ) + +S_0 = 2.9e-1 * u.torr * u.liter * u.cm**-3 * u.torr**-0.5 +T_ref = 273 * u.K +S_0 = S_0 / (htm.Rg * T_ref) frauenfelder_solubility = Solubility( - S_0=1.87e24 * u.particle * u.m**-3 * u.Pa**-0.5, - E_S=1.04 * u.eV * u.particle**-1, + S_0=S_0, + E_S=24000 * u.cal * u.mol**-1, range=(1100 * u.K, 2400 * u.K), - source=frauenfelder_src, + source="frauenfelder_solution_1969", isotope="H", ) From b64f655bd3f142fddb93bb512c38f63757faabf5 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 27 Mar 2024 09:31:08 -0400 Subject: [PATCH 100/123] fixed ref temperature for Frauenfelder permeability + correct units for range --- .../property_database/tungsten/tungsten.py | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 93031eae..3b02ab77 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -175,14 +175,13 @@ ) frauenfelder_p_0 = 1.5e-3 * u.torr * u.liter * u.cm**-1 * u.s**-1 * u.torr**-0.5 +T_ref = 273 * u.K +frauenfelder_p_0 *= 1 / (htm.Rg * T_ref) frauenfelder_permeability = Permeability( - pre_exp=frauenfelder_p_0 / (htm.Rg * 300 * u.K), + pre_exp=frauenfelder_p_0, act_energy=31.5 * u.kcal * u.mol**-1, isotope="H", - range=( - u.Quantity(1050, u.degC), - u.Quantity(2400, u.degC), - ), + range=(1050 * u.K, 2400 * u.K), source="frauenfelder_permeation_1968", ) From dd0dcf97b7a00a049ac7f104f86dd667d9c3f125 Mon Sep 17 00:00:00 2001 From: Christian Hill Date: Fri, 12 Apr 2024 12:47:04 +0200 Subject: [PATCH 101/123] Correct year of Moore and Unterwald reference from 2004 to 1964 --- .gitignore | 3 +++ h_transport_materials/property_database/tungsten/tungsten.py | 2 +- h_transport_materials/references.bib | 4 ++-- 3 files changed, 6 insertions(+), 3 deletions(-) diff --git a/.gitignore b/.gitignore index b6e47617..8897dfad 100644 --- a/.gitignore +++ b/.gitignore @@ -127,3 +127,6 @@ dmypy.json # Pyre type checker .pyre/ + +# macOS stuff +.DS_Store diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 3b02ab77..ee086bc5 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -70,7 +70,7 @@ moore_diffusivity_tungsten_h = Diffusivity( data_T=[1783.0, 1890.0, 1960.0, 2045.0, 2175.0] * u.K, data_y=np.array([6.45e-9, 1.26e-8, 1.81e-8, 3.01e-8, 5.15e-8]) * u.cm**2 * u.s**-1, - source="moore_thermal_2004", + source="moore_thermal_1964", isotope="H", note="data in table IV. Units are not given but on page 2651 the equation indiquates that D is in cm2/s", ) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 1337ff9d..2024fee7 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2143,7 +2143,7 @@ @article{braun_determination_1980 file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\D7EH4G8B\\Braun et al. - 1980 - Determination of deuterium surface recombination r.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\4AW33YKP\\0022311580902196.html:text/html;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7UPDLW8V\\0022311580902196.html:text/html}, } -@article{moore_thermal_2004, +@article{moore_thermal_1964, title = {Thermal {Dissociation} of {Hydrogen}}, volume = {40}, issn = {0021-9606}, @@ -2155,7 +2155,7 @@ @article{moore_thermal_2004 journal = {The Journal of Chemical Physics}, author = {Moore, George E. and Unterwald, F. C.}, month = jun, - year = {2004}, + year = {1964}, pages = {2639--2652}, file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\KV3BZHQ7\\Moore and Unterwald - 2004 - Thermal Dissociation of Hydrogen.pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\X4R5995F\\Thermal-Dissociation-of-Hydrogen.html:text/html}, } From 5c74435f0d6c4d2ea2a883fad4aa0134096846f4 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 31 May 2024 14:11:25 +0200 Subject: [PATCH 102/123] added graphene and graphite data from Petucci 2013 --- .../property_database/carbon.py | 73 ++++++++++++++++++- h_transport_materials/references.bib | 16 ++++ 2 files changed, 88 insertions(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/carbon.py b/h_transport_materials/property_database/carbon.py index 23a7d489..dd36ca3d 100644 --- a/h_transport_materials/property_database/carbon.py +++ b/h_transport_materials/property_database/carbon.py @@ -34,7 +34,78 @@ isotope="H", ) -properties = [causey_diffusivity, atsumi_diffusivity, atsumi_solubility] +data_T_petucci_graphite = [ + 90.0, + 100.0, + 110.0, + 125.0, + 150.0, + 175.0, + 200.0, + 250.0, + 300.0, + 350.0, + 400.0, + 450.0, + 500.0, + 550.0, + 600.0, + 650.0, + 700.0, +] * u.K +data_y_petucci_graphite = ( + [ + 2.16, + 2.97, + 3.16, + 3.56, + 4.08, + 6.10, + 10.95, + 16.96, + 25.76, + 33.61, + 38.41, + 43.77, + 60.75, + 69.45, + 82.01, + 86.16, + 89.95, + ] + * u.angstrom**2 + * u.ps**-1 +) + +petucci_diffusivity_graphite = Diffusivity( + data_T=data_T_petucci_graphite, + data_y=data_y_petucci_graphite, + source="petucci_diffusion_2013", + isotope="H", + note="graphite MD data from table III", +) + + +data_T_petucci_graphene = [40.0, 50.0, 60.0, 70.0, 80.0, 90.0, 100.0] * u.K +data_y_petucci_graphene = ( + [175.71, 385.92, 490.17, 656.99, 789.03, 849.91, 1082.79] * u.angstrom**2 * u.ps**-1 +) +petucci_diffusivity_graphene = Diffusivity( + data_T=data_T_petucci_graphene, + data_y=data_y_petucci_graphene, + source="petucci_diffusion_2013", + isotope="H", + note="graphene MD data from table III", +) + + +properties = [ + causey_diffusivity, + atsumi_diffusivity, + atsumi_solubility, + petucci_diffusivity_graphite, + petucci_diffusivity_graphene, +] for prop in properties: prop.material = htm.CARBON diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 2024fee7..c2973ce7 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2659,3 +2659,19 @@ @article{shimada_tritium_2019 pages = {1988--1992}, file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\K6L4T4HI\\S0920379619304041.html:text/html}, } + +@article{petucci_diffusion_2013, + title = {Diffusion, adsorption, and desorption of molecular hydrogen on graphene and in graphite}, + volume = {139}, + issn = {0021-9606}, + url = {https://doi.org/10.1063/1.4813919}, + doi = {10.1063/1.4813919}, + abstract = {The diffusion of molecular hydrogen (H2) on a layer of graphene and in the interlayer space between the layers of graphite is studied using molecular dynamics computer simulations. The interatomic interactions were modeled by an Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential. Molecular statics calculations of H2 on graphene indicate binding energies ranging from 41 meV to 54 meV and migration barriers ranging from 3 meV to 12 meV. The potential energy surface of an H2 molecule on graphene, with the full relaxations of molecular hydrogen and carbon atoms is calculated. Barriers for the formation of H2 through the Langmuir-Hinshelwood mechanism are calculated. Molecular dynamics calculations of mean square displacements and average surface lifetimes of H2 on graphene at various temperatures indicate a diffusion barrier of 9.8 meV and a desorption barrier of 28.7 meV. Similar calculations for the diffusion of H2 in the interlayer space between the graphite sheets indicate high and low temperature regimes for the diffusion with barriers of 51.2 meV and 11.5 meV. Our results are compared with those of first principles.}, + number = {4}, + urldate = {2024-05-31}, + journal = {The Journal of Chemical Physics}, + author = {Petucci, Justin and LeBlond, Carl and Karimi, Majid and Vidali, Gianfranco}, + month = jul, + year = {2013}, + pages = {044706}, +} \ No newline at end of file From 8588ed9eac456aa10f582549ab62e0be9574e5b7 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 31 May 2024 14:28:13 +0200 Subject: [PATCH 103/123] added graphite data from Shirasu 1993 --- .../property_database/carbon.py | 67 +++++++++++++++++++ h_transport_materials/references.bib | 16 +++++ 2 files changed, 83 insertions(+) diff --git a/h_transport_materials/property_database/carbon.py b/h_transport_materials/property_database/carbon.py index dd36ca3d..b7e8f356 100644 --- a/h_transport_materials/property_database/carbon.py +++ b/h_transport_materials/property_database/carbon.py @@ -98,6 +98,67 @@ note="graphene MD data from table III", ) +import numpy as np + +graphite_density = 2.266 * u.g / u.cm**3 + +carbon_atomic_mass = 12.011 * u.g / u.mol + +graphite_atomic_density = graphite_density / carbon_atomic_mass + +shirasu_solubility_IG_110U = Solubility( + S_0=np.exp(-14.5) * graphite_atomic_density * u.Pa**-0.5, + E_S=-18.2 * u.kJ / u.mol, + source="shirasu_thermodynamic_1993", + note="graphite IG-110U, data from Table 1", + range=(u.Quantity(700, u.degC), u.Quantity(1000, u.degC)), + isotope="H", +) + +shirasu_solubility_POCO_AXS_5Q = Solubility( + S_0=np.exp(-15.6) * graphite_atomic_density * u.Pa**-0.5, + E_S=-21.5 * u.kJ / u.mol, + source="shirasu_thermodynamic_1993", + note="graphite POCO AXS-5Q, data from Table 1", + range=(u.Quantity(700, u.degC), u.Quantity(1000, u.degC)), + isotope="H", +) + +shirasu_solubility_ISO_880U_low_temp = Solubility( + S_0=np.exp(-15.8) * graphite_atomic_density * u.Pa**-0.5, + E_S=-22.0 * u.kJ / u.mol, + source="shirasu_thermodynamic_1993", + note="graphite ISO-880U, data from Table 1", + range=(u.Quantity(700, u.degC), u.Quantity(900, u.degC)), + isotope="H", +) + +shirasu_solubility_ISO_880U_high_temp = Solubility( + S_0=np.exp(-18.5) * graphite_atomic_density * u.Pa**-0.5, + E_S=-48.2 * u.kJ / u.mol, + source="shirasu_thermodynamic_1993", + note="graphite ISO-880U, data from Table 1", + range=(u.Quantity(900, u.degC), u.Quantity(1000, u.degC)), + isotope="H", +) + +shirasu_solubility_EK_98_low_temp = Solubility( + S_0=np.exp(-14.7) * graphite_atomic_density * u.Pa**-0.5, + E_S=-13.5 * u.kJ / u.mol, + source="shirasu_thermodynamic_1993", + note="graphite EK-98, data from Table 1", + range=(u.Quantity(700, u.degC), u.Quantity(800, u.degC)), + isotope="H", +) + +shirasu_solubility_EK_98_high_temp = Solubility( + S_0=np.exp(-18.5) * graphite_atomic_density * u.Pa**-0.5, + E_S=-47.6 * u.kJ / u.mol, + source="shirasu_thermodynamic_1993", + note="graphite EK-98, data from Table 1", + range=(u.Quantity(800, u.degC), u.Quantity(1000, u.degC)), + isotope="H", +) properties = [ causey_diffusivity, @@ -105,6 +166,12 @@ atsumi_solubility, petucci_diffusivity_graphite, petucci_diffusivity_graphene, + shirasu_solubility_IG_110U, + shirasu_solubility_POCO_AXS_5Q, + shirasu_solubility_ISO_880U_low_temp, + shirasu_solubility_ISO_880U_high_temp, + shirasu_solubility_EK_98_low_temp, + shirasu_solubility_EK_98_high_temp, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index c2973ce7..780fbe39 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2674,4 +2674,20 @@ @article{petucci_diffusion_2013 month = jul, year = {2013}, pages = {044706}, +} + +@article{shirasu_thermodynamic_1993, + title = {Thermodynamic analysis of hydrogen solubility in graphite}, + volume = {200}, + issn = {0022-3115}, + url = {https://www.sciencedirect.com/science/article/pii/002231159390332S}, + doi = {10.1016/0022-3115(93)90332-S}, + abstract = {The hydrogen solubility in isotropic graphites ISO 880U and EK 98 has been measured in the temperature range of 700–1000°C at pressures below 2 × 104Pa. The solubility data obtained closely obeyed Sieverts' law. The hydrogen solubility and the enthalpy of solution for ISO 880U and EK 98 graphites were compared with those for isotropic graphites IG 110U and POCO AXF-5Q. The hydrogen solubility in a highly oriented pyrolytic graphite PGCCL has also been measured at 1000°C. It was an order of magnitude lower than that in isotropic graphites. Partial thermodynamic functions of hydrogen in isotropic graphites were obtained by a dilute solution model and discussed.}, + number = {2}, + urldate = {2024-05-31}, + journal = {Journal of Nuclear Materials}, + author = {Shirasu, Yoshirou and Yamanaka, Shinsuke and Miyake, Masanobu}, + month = apr, + year = {1993}, + pages = {218--222}, } \ No newline at end of file From 730013b3fbd736a7380a207c99693f1f850ca4cd Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 31 May 2024 14:40:51 +0200 Subject: [PATCH 104/123] added Byeon data for tungsten --- .../property_database/tungsten/tungsten.py | 50 +++++++++++++++++++ h_transport_materials/references.bib | 16 ++++++ 2 files changed, 66 insertions(+) diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index ee086bc5..97011f8b 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -442,6 +442,52 @@ source="shimada_tritium_2019", ) + +data_T_byeon = u.Quantity([650, 700, 750, 850], u.degC) +data_y_byeon_diff_IG = [3.13e-11, 4.88e-11, 7.31e-11, 1.70e-10] * u.m**2 * u.s**-1 + +byeon_diffusivity_IG = Diffusivity( + data_T=data_T_byeon, + data_y=data_y_byeon_diff_IG, + isotope="D", + source="byeon_deuterium_2021", + note="Table 2, ITER grade", +) + +data_y_byeon_diff_CR = [1.38e-11, 2.79e-11, 4.76e-11, 1.24e-10] * u.m**2 * u.s**-1 + +byeon_diffusivity_CR = Diffusivity( + data_T=data_T_byeon, + data_y=data_y_byeon_diff_CR, + isotope="D", + source="byeon_deuterium_2021", + note="Table 2 CR", +) + +data_y_byeon_perm_IG = ( + [7.12e-15, 1.77e-14, 4.08e-14, 2.12e-13] * u.mol * u.m**-1 * u.s**-1 * u.Pa**-0.5 +) + +byeon_permeability_IG = Permeability( + data_T=data_T_byeon, + data_y=data_y_byeon_perm_IG, + isotope="D", + source="byeon_deuterium_2021", + note="Table 2, ITER grade", +) + +data_y_byeon_perm_CR = ( + [2.12e-14, 4.54e-14, 9.50e-14, 3.45e-13] * u.mol * u.m**-1 * u.s**-1 * u.Pa**-0.5 +) + +byeon_permeability_CR = Permeability( + data_T=data_T_byeon, + data_y=data_y_byeon_perm_CR, + isotope="D", + source="byeon_deuterium_2021", + note="Table 2 CR", +) + properties = [ frauenfelder_diffusivity, liu_diffusivity_tungsten, @@ -486,6 +532,10 @@ otsuka_diffusivity, ikeda_diffusivity, shimada_permeability, + byeon_diffusivity_IG, + byeon_diffusivity_CR, + byeon_permeability_IG, + byeon_permeability_CR, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 2024fee7..0a3da08e 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2642,6 +2642,22 @@ @article{sherman_hydrogen_1983 file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\EYP2DBI2\\Sherman and Birnbaum - 1983 - Hydrogen permeation and diffusion in niobium.pdf:application/pdf}, } +@article{byeon_deuterium_2021, + title = {Deuterium transport in {ITER}-grade tungsten}, + volume = {544}, + issn = {0022-3115}, + url = {https://www.sciencedirect.com/science/article/pii/S0022311520312836}, + doi = {10.1016/j.jnucmat.2020.152675}, + abstract = {The transport behavior of hydrogen isotopes in ITER grade tungsten (IG-W) and commercial rolled polycrystalline tungsten (CR-W) was investigated using deuterium gas. Analyses using field-emission scanning electron microscopy revealed that both IG-W and CR-W had a polycrystalline structure, but their surface grain structures were apparently different. The permeability and diffusivity of deuterium in IG-W and CR-W were obtained using a time-dependent gas-phase technique in the temperature range of 650–850 °C, being observed to be affected by surface morphology and grain boundaries. Our results in this study were also compared with previous results for polycrystalline W reported by other authors.}, + urldate = {2024-05-31}, + journal = {Journal of Nuclear Materials}, + author = {Byeon, W. J. and Noh, S. J.}, + month = feb, + year = {2021}, + keywords = {Commercial polycrystalline tungsten, Deuterium, Hydrogen isotopes, ITER-grade tungsten, Transport}, + pages = {152675}, +} + @article{shimada_tritium_2019, series = {{SI}:{SOFT}-30}, title = {Tritium permeability in polycrystalline tungsten}, From ef7a607a1ced92894cbf20b3310b42e858606624 Mon Sep 17 00:00:00 2001 From: FuerstT Date: Tue, 4 Jun 2024 16:33:44 -0600 Subject: [PATCH 105/123] Added H and D permeation in Hastelloy N from recent manuscript. --- .../property_database/hastelloy_n.py | 49 +++++++++++++++++++ h_transport_materials/references.bib | 14 ++++++ 2 files changed, 63 insertions(+) diff --git a/h_transport_materials/property_database/hastelloy_n.py b/h_transport_materials/property_database/hastelloy_n.py index 9606de0c..ba24362b 100644 --- a/h_transport_materials/property_database/hastelloy_n.py +++ b/h_transport_materials/property_database/hastelloy_n.py @@ -68,6 +68,49 @@ source="zhang_diffusion_2020", ) +fuerst_permeability_h = Permeability( + pre_exp=5.70e-7 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=66.2 * u.kJ * u.mol**-1, + range=(u.Quantity(500, u.degC), u.Quantity(700, u.degC)), + isotope="H", + source="fuerst_hastelloyn_2024", +) +fuerst_permeability_d = Permeability( + pre_exp=2.40e-7 * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, + act_energy=62.3 * u.kJ * u.mol**-1, + range=(u.Quantity(500, u.degC), u.Quantity(700, u.degC)), + isotope="D", + source="fuerst_hastelloyn_2024", +) +fuerst_diffusivity_h = Diffusivity( + D_0=2.89e-6 * u.m**2 * u.s**-1, + E_D=55.9 * u.kJ * u.mol**-1, + range=(u.Quantity(500, u.degC), u.Quantity(700, u.degC)), + isotope="H", + source="fuerst_hastelloyn_2024", +) +fuerst_diffusivity_d = Diffusivity( + D_0=1.95e-6 * u.m**2 * u.s**-1, + E_D=54.7 * u.kJ * u.mol**-1, + range=(u.Quantity(500, u.degC), u.Quantity(700, u.degC)), + isotope="D", + source="fuerst_hastelloyn_2024", +) +fuerst_solubility_h = Solubility( + S_0=1.97e-1 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=10.2 * u.kJ * u.mol**-1, + range=(u.Quantity(500, u.degC), u.Quantity(700, u.degC)), + isotope="H", + source="fuerst_hastelloyn_2024", +) +fuerst_solubility_d = Solubility( + S_0=1.23e-1 * u.mol * u.m**-3 * u.Pa**-0.5, + E_S=7.50 * u.kJ * u.mol**-1, + range=(u.Quantity(500, u.degC), u.Quantity(700, u.degC)), + isotope="D", + source="fuerst_hastelloyn_2024", +) + properties = [ webb_permeability, zhang_permeability_h, @@ -76,6 +119,12 @@ zhang_diffusivity_d, zhang_solubility_h, zhang_solubility_d, + fuerst_permeability_h, + fuerst_permeability_d, + fuerst_solubility_h, + fuerst_solubility_d, + fuerst_diffusivity_h, + fuerst_diffusivity_d, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 2024fee7..0de7f9e5 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2659,3 +2659,17 @@ @article{shimada_tritium_2019 pages = {1988--1992}, file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\K6L4T4HI\\S0920379619304041.html:text/html}, } + +@article{fuerst_hastelloyn_2024, +title = {Hydrogen and deuterium permeation in Hastelloy N}, +journal = {Journal of Nuclear Materials}, +volume = {589}, +pages = {154851}, +year = {2024}, +issn = {0022-3115}, +doi = {https://doi.org/10.1016/j.jnucmat.2023.154851}, +url = {https://www.sciencedirect.com/science/article/pii/S0022311523006189}, +author = {Thomas F. Fuerst and Masashi Shimada and Hanns Gietl and Paul W. Humrickhouse}, +keywords = {Hydrogen, Tritium, Permeation, Hastelloy N, FLiBe}, +abstract = {Hastelloy N was chosen as the fluoride salt-contacting structural material for the Molten Salt Reactor Experiment due to its excellent compatibility with the fuel salt FLiBe. FLiBe is currently investigated for several advanced fusion and fission reactor concepts where tritium generation in the FLiBe is anticipated. Knowledge of hydrogen transport properties through Hastelloy N is important to understand how tritium would permeate through this material and result in an unintentional release. In this study, the hydrogen and deuterium permeability, diffusivity, and solubility were measured from 500 to 700 °C at a primary-side pressure of 10 kPa in a well-characterized sample of Hastelloy N. The prepared polycrystalline Hastelloy N had C and O impurities present on the surface. These impurities were investigated using Auger Emission Spectroscopy and Ar depth profiling. The adventitious C was removed upon the first Ar sputter cycle whereas O persisted deeper into the sample. For permeation experiments, applied deuterium pressures ranged from 13 Pa to 100 kPa and deuterium transport remained in the diffusion-limited regime (J ∝ P0.5) throughout the pressure range examined. Two methods are employed to measure the effective hydrogen and deuterium diffusivity: rise and decline. The decline method produced improved statistical model fits for calculating the effective diffusion coefficient compared to the rise method. The resultant transport properties compared well to published values for other nickel alloys.} +} \ No newline at end of file From 960e7e50ab6df369d95943becfa58db1890eaf76 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Wed, 5 Jun 2024 10:18:41 +0200 Subject: [PATCH 106/123] correct indent --- h_transport_materials/property_database/hastelloy_n.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/h_transport_materials/property_database/hastelloy_n.py b/h_transport_materials/property_database/hastelloy_n.py index ba24362b..70151f70 100644 --- a/h_transport_materials/property_database/hastelloy_n.py +++ b/h_transport_materials/property_database/hastelloy_n.py @@ -120,11 +120,11 @@ zhang_solubility_h, zhang_solubility_d, fuerst_permeability_h, - fuerst_permeability_d, - fuerst_solubility_h, - fuerst_solubility_d, - fuerst_diffusivity_h, - fuerst_diffusivity_d, + fuerst_permeability_d, + fuerst_solubility_h, + fuerst_solubility_d, + fuerst_diffusivity_h, + fuerst_diffusivity_d, ] for prop in properties: From 8678c1c3544ec3fc316c63fefca5144ae8808329 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 5 Jun 2024 11:40:29 +0200 Subject: [PATCH 107/123] added Xu 2017 --- .../property_database/rafm_steel.py | 70 +++++++++++++++++++ h_transport_materials/references.bib | 16 +++++ 2 files changed, 86 insertions(+) diff --git a/h_transport_materials/property_database/rafm_steel.py b/h_transport_materials/property_database/rafm_steel.py index eac9a2d0..61221ce5 100644 --- a/h_transport_materials/property_database/rafm_steel.py +++ b/h_transport_materials/property_database/rafm_steel.py @@ -222,6 +222,69 @@ ) +xu_permeability_h = htm.Permeability( + pre_exp=1.0e-9 * u.mol * u.cm**-1 * u.s**-1 * u.Pa**-0.5, + act_energy=0.46 * u.eV * u.particle**-1, + range=(u.Quantity(150, u.degC), u.Quantity(500, u.degC)), + isotope="H", + source="xu_bi-directional_2017", + note="Eq 2, F82H", +) + +xu_permeability_d = htm.Permeability( + pre_exp=6.8e-10 * u.mol * u.cm**-1 * u.s**-1 * u.Pa**-0.5, + act_energy=0.46 * u.eV * u.particle**-1, + range=(u.Quantity(150, u.degC), u.Quantity(500, u.degC)), + isotope="D", + source="xu_bi-directional_2017", + note="Eq 3, F82H", +) + +xu_diffusivity_h = htm.Diffusivity( + D_0=9.9e-4 * u.cm**2 * u.s**-1, + E_D=0.14 * u.eV * u.particle**-1, + range=(u.Quantity(250, u.degC), u.Quantity(500, u.degC)), + isotope="H", + source="xu_bi-directional_2017", + note="Eq 5, F82H, effective diffusivity", +) + +xu_diffusivity_d = htm.Diffusivity( + D_0=7.2e-4 * u.cm**2 * u.s**-1, + E_D=0.14 * u.eV * u.particle**-1, + range=(u.Quantity(250, u.degC), u.Quantity(500, u.degC)), + isotope="D", + source="xu_bi-directional_2017", + note="Eq 6, F82H, effective diffusivity", +) + +xu_solubility_h = htm.Solubility( + S_0=1.0e-6 * u.mol * u.cm**-3 * u.Pa**-0.5, + E_S=0.32 * u.eV * u.particle**-1, + range=(u.Quantity(250, u.degC), u.Quantity(500, u.degC)), + isotope="H", + source="xu_bi-directional_2017", + note="Eq 8, F82H", +) + +xu_solubility_d = htm.Solubility( + S_0=9.4e-7 * u.mol * u.cm**-3 * u.Pa**-0.5, + E_S=0.32 * u.eV * u.particle**-1, + range=(u.Quantity(250, u.degC), u.Quantity(500, u.degC)), + isotope="D", + source="xu_bi-directional_2017", + note="Eq 9, F82H", +) + +xu_recombination_coeff_d = htm.RecombinationCoeff( + pre_exp=3.8e-17 * u.particle**-1 * u.cm**4 * u.s**-1, + act_energy=-0.20 * u.eV * u.particle**-1, + range=(u.Quantity(250, u.degC), u.Quantity(550, u.degC)), + isotope="D", + source="xu_bi-directional_2017", + note="Eq 11, F82H", +) + properties = [ causey_diffusivity, forcey_diffusivity, @@ -245,6 +308,13 @@ kulsartov_solubility_d, serra_solubility_f82h, serra_solubility_batman, + xu_permeability_h, + xu_permeability_d, + xu_diffusivity_h, + xu_diffusivity_d, + xu_solubility_h, + xu_solubility_d, + xu_recombination_coeff_d, ] for prop in properties: diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 0de7f9e5..a5a93b15 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2672,4 +2672,20 @@ @article{fuerst_hastelloyn_2024 author = {Thomas F. Fuerst and Masashi Shimada and Hanns Gietl and Paul W. Humrickhouse}, keywords = {Hydrogen, Tritium, Permeation, Hastelloy N, FLiBe}, abstract = {Hastelloy N was chosen as the fluoride salt-contacting structural material for the Molten Salt Reactor Experiment due to its excellent compatibility with the fuel salt FLiBe. FLiBe is currently investigated for several advanced fusion and fission reactor concepts where tritium generation in the FLiBe is anticipated. Knowledge of hydrogen transport properties through Hastelloy N is important to understand how tritium would permeate through this material and result in an unintentional release. In this study, the hydrogen and deuterium permeability, diffusivity, and solubility were measured from 500 to 700 °C at a primary-side pressure of 10 kPa in a well-characterized sample of Hastelloy N. The prepared polycrystalline Hastelloy N had C and O impurities present on the surface. These impurities were investigated using Auger Emission Spectroscopy and Ar depth profiling. The adventitious C was removed upon the first Ar sputter cycle whereas O persisted deeper into the sample. For permeation experiments, applied deuterium pressures ranged from 13 Pa to 100 kPa and deuterium transport remained in the diffusion-limited regime (J ∝ P0.5) throughout the pressure range examined. Two methods are employed to measure the effective hydrogen and deuterium diffusivity: rise and decline. The decline method produced improved statistical model fits for calculating the effective diffusion coefficient compared to the rise method. The resultant transport properties compared well to published values for other nickel alloys.} +} + +@article{xu_bi-directional_2017, + title = {Bi-directional hydrogen isotopes permeation through a reduced activation ferritic steel {F82H}}, + volume = {125}, + issn = {0920-3796}, + url = {https://www.sciencedirect.com/science/article/pii/S0920379617304258}, + doi = {10.1016/j.fusengdes.2017.04.022}, + abstract = {The first wall of a magnetic fusion reactor serves to separate the edge plasma from breeding blankets, which will be subjected to bi-directional hydrogen isotopes permeation: in one direction by plasma-driven permeation, and in the other direction by gas-driven permeation. In this work, hydrogen isotopes transport through a reduced activation ferritic steel F82H has been investigated in the temperature range of 150–500°C. The transport parameters including permeability, diffusivity, solubility and surface recombination coefficient have been measured and the isotopic mass effect has been discussed. Bi-directional hydrogen isotopes gas- and plasma-driven permeation has been demonstrated for the first time under controlled experimental conditions.}, + urldate = {2024-06-05}, + journal = {Fusion Engineering and Design}, + author = {Xu, Yue and Hirooka, Yoshi and Nagasaka, Takuya}, + month = dec, + year = {2017}, + keywords = {F82H, First wall, Gas- and plasma-driven permeation, Isotopic effect, Transport parameters}, + pages = {343--348}, } \ No newline at end of file From a660fb06c94c18b3ef93656f90e956ad0aff0d16 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 5 Jun 2024 16:43:18 +0200 Subject: [PATCH 108/123] specified data was for H2 --- h_transport_materials/property_database/carbon.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/h_transport_materials/property_database/carbon.py b/h_transport_materials/property_database/carbon.py index dd36ca3d..9626e959 100644 --- a/h_transport_materials/property_database/carbon.py +++ b/h_transport_materials/property_database/carbon.py @@ -82,7 +82,7 @@ data_y=data_y_petucci_graphite, source="petucci_diffusion_2013", isotope="H", - note="graphite MD data from table III", + note="H2 diffusion in graphite calculated by molecular dynamics. Data from table III", ) @@ -95,7 +95,7 @@ data_y=data_y_petucci_graphene, source="petucci_diffusion_2013", isotope="H", - note="graphene MD data from table III", + note="H2 diffusion in graphene calculated by molecular dynamics. Data from table III", ) From d2f17f5d9cc3eee57ec0761be11b92d626aeae1f Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 6 Jun 2024 16:30:28 +0200 Subject: [PATCH 109/123] fixed upper temp --- h_transport_materials/property_database/rafm_steel.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/rafm_steel.py b/h_transport_materials/property_database/rafm_steel.py index 61221ce5..f02bd55d 100644 --- a/h_transport_materials/property_database/rafm_steel.py +++ b/h_transport_materials/property_database/rafm_steel.py @@ -279,7 +279,7 @@ xu_recombination_coeff_d = htm.RecombinationCoeff( pre_exp=3.8e-17 * u.particle**-1 * u.cm**4 * u.s**-1, act_energy=-0.20 * u.eV * u.particle**-1, - range=(u.Quantity(250, u.degC), u.Quantity(550, u.degC)), + range=(u.Quantity(250, u.degC), u.Quantity(510, u.degC)), isotope="D", source="xu_bi-directional_2017", note="Eq 11, F82H", From 17b3b3a77591a1cabdb6f5e5d75da445a33afcb1 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 6 Jun 2024 16:44:00 +0200 Subject: [PATCH 110/123] fixed bib --- h_transport_materials/references.bib | 11 ----------- 1 file changed, 11 deletions(-) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index fe673ba3..adb3b3c4 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2720,15 +2720,4 @@ @article{xu_bi-directional_2017 year = {2017}, keywords = {F82H, First wall, Gas- and plasma-driven permeation, Isotopic effect, Transport parameters}, pages = {343--348}, - title = {Hydrogen and deuterium permeation in Hastelloy N}, - journal = {Journal of Nuclear Materials}, - volume = {589}, - pages = {154851}, - year = {2024}, - issn = {0022-3115}, - doi = {https://doi.org/10.1016/j.jnucmat.2023.154851}, - url = {https://www.sciencedirect.com/science/article/pii/S0022311523006189}, - author = {Thomas F. Fuerst and Masashi Shimada and Hanns Gietl and Paul W. Humrickhouse}, - keywords = {Hydrogen, Tritium, Permeation, Hastelloy N, FLiBe}, - abstract = {Hastelloy N was chosen as the fluoride salt-contacting structural material for the Molten Salt Reactor Experiment due to its excellent compatibility with the fuel salt FLiBe. FLiBe is currently investigated for several advanced fusion and fission reactor concepts where tritium generation in the FLiBe is anticipated. Knowledge of hydrogen transport properties through Hastelloy N is important to understand how tritium would permeate through this material and result in an unintentional release. In this study, the hydrogen and deuterium permeability, diffusivity, and solubility were measured from 500 to 700 °C at a primary-side pressure of 10 kPa in a well-characterized sample of Hastelloy N. The prepared polycrystalline Hastelloy N had C and O impurities present on the surface. These impurities were investigated using Auger Emission Spectroscopy and Ar depth profiling. The adventitious C was removed upon the first Ar sputter cycle whereas O persisted deeper into the sample. For permeation experiments, applied deuterium pressures ranged from 13 Pa to 100 kPa and deuterium transport remained in the diffusion-limited regime (J ∝ P0.5) throughout the pressure range examined. Two methods are employed to measure the effective hydrogen and deuterium diffusivity: rise and decline. The decline method produced improved statistical model fits for calculating the effective diffusion coefficient compared to the rise method. The resultant transport properties compared well to published values for other nickel alloys.} } \ No newline at end of file From 5ed6131b7324f7f0e0f4fe72f20f79cdd9ebfcb2 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Thu, 20 Jun 2024 09:51:26 -0400 Subject: [PATCH 111/123] downgrade to numpy<2 --- docs/requirements.txt | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/docs/requirements.txt b/docs/requirements.txt index b471f9dd..986e1dc7 100644 --- a/docs/requirements.txt +++ b/docs/requirements.txt @@ -1,4 +1,5 @@ sphinx==6.2.1 sphinx-design==0.4.1 sphinx_book_theme==1.0.1 -matplotlib==3.7.1 \ No newline at end of file +matplotlib==3.7.1 +numpy<2 From 0f0ade6b3d09ab78b6198bd260ab2b22ed3b1400 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 20 Jun 2024 10:00:22 -0400 Subject: [PATCH 112/123] fixed test --- docs/user/groups.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/user/groups.rst b/docs/user/groups.rst index d1c85bd5..859a0c95 100644 --- a/docs/user/groups.rst +++ b/docs/user/groups.rst @@ -178,8 +178,8 @@ It is also possible to export some of the data to a latex table with: \begin{tabular}{ c c c c} Material & pre-exp. factor & Act. energy & Reference \\ - & $1.00\times 10^{0}\ \frac{\mathrm{m}^{2}}{\mathrm{s}}$ & 0.10 eV/particle & \cite{} \\ - & $2.00\times 10^{0}\ \frac{\mathrm{particle}}{\left(\mathrm{Pa} \cdot \mathrm{m}^{3}\right)}$ & 0.20 eV/particle & \cite{} \\ + & $1.00\times 10^{0}\ \frac{\mathrm{m}^{2}}{\mathrm{s}}$ & 0.10 eV/particle & \cite{} \\ + & $2.00\times 10^{0}\ \frac{\mathrm{particle}}{\left(\mathrm{m}^{3} \cdot \mathrm{Pa}\right)}$ & 0.20 eV/particle & \cite{} \\ \end{tabular} \end{center} From 941e4f0fd194cd7fb10157f9347e2ed8284f700b Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 17 Sep 2024 10:48:37 -0400 Subject: [PATCH 113/123] added SiC material --- h_transport_materials/material.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index 7aff11f6..148a67ff 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -113,9 +113,11 @@ class MoltenSalt(Material): class FeCrAl(Steel): family = "fecral" + class PalladiumAlloy(Alloy): family = "palladium alloy" + TUNGSTEN = Tungsten() BERYLLIUM = Beryllium() CARBON = Carbon() @@ -165,4 +167,5 @@ class PalladiumAlloy(Alloy): TZM = Alloy("tzm") -PD52CU = PalladiumAlloy("pd52cu") \ No newline at end of file +PD52CU = PalladiumAlloy("pd52cu") +SIC = Compound("sic") From 9d094867d21d3c2457caf35e8b246f62f3973d33 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 17 Sep 2024 11:16:10 -0400 Subject: [PATCH 114/123] added SiC data from Causey --- .../property_database/__init__.py | 4 +- .../property_database/sic.py | 91 +++++++++++++++++++ h_transport_materials/references.bib | 17 ++++ 3 files changed, 111 insertions(+), 1 deletion(-) create mode 100644 h_transport_materials/property_database/sic.py diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index 94d0a076..e679e927 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -69,4 +69,6 @@ from . import tzm -from . import palladium_copper \ No newline at end of file +from . import palladium_copper + +from . import sic diff --git a/h_transport_materials/property_database/sic.py b/h_transport_materials/property_database/sic.py new file mode 100644 index 00000000..abac6290 --- /dev/null +++ b/h_transport_materials/property_database/sic.py @@ -0,0 +1,91 @@ +import h_transport_materials as htm +from h_transport_materials import Diffusivity, Solubility + +u = htm.ureg + +causey_alpha_diffusivity = Diffusivity( + D_0=1.09e-2 * u.cm**2 * u.s**-1, + E_D=54.9 * u.kcal * u.mol**-1, + note="alpha-SiC single crystal", + range=(u.Quantity(800, u.degC), u.Quantity(1400, u.degC)), + source="causey_hydrogen_1978", + isotope="T", +) + +causey_beta_diffusivity = Diffusivity( + D_0=28e-2 * u.cm**2 * u.s**-1, + E_D=65.0 * u.kcal * u.mol**-1, + note="beta-SiC single crystal", + range=(u.Quantity(800, u.degC), u.Quantity(1000, u.degC)), + source="causey_hydrogen_1978", + isotope="T", +) + +causey_al_doped_alpha_diffusivity = Diffusivity( + D_0=4.04e-4 * u.cm**2 * u.s**-1, + E_D=34.0 * u.kcal * u.mol**-1, + note="Al-doped alpha-SiC single crystal", + range=(u.Quantity(500, u.degC), u.Quantity(900, u.degC)), + source="causey_hydrogen_1978", + isotope="T", +) + +causey_vapor_dep_beta_diffusivity = Diffusivity( + D_0=1.58e-4 * u.cm**2 * u.s**-1, + E_D=73.6 * u.kcal * u.mol**-1, + note="vapor-deposited beta-SiC", + range=(u.Quantity(1000, u.degC), u.Quantity(1300, u.degC)), + source="causey_hydrogen_1978", + isotope="T", +) + +causey_hot_pressed_alpha_diffusivity = Diffusivity( + D_0=0.904e-4 * u.cm**2 * u.s**-1, + E_D=48.2 * u.kcal * u.mol**-1, + note="hot-pressed alpha-SiC", + range=(u.Quantity(500, u.degC), u.Quantity(800, u.degC)), + source="causey_hydrogen_1978", + isotope="T", +) + +causey_sintered_beta_diffusivity = Diffusivity( + D_0=8.54e-4 * u.cm**2 * u.s**-1, + E_D=64.2 * u.kcal * u.mol**-1, + note="sintered beta-SiC", + range=(u.Quantity(800, u.degC), u.Quantity(1100, u.degC)), + source="causey_hydrogen_1978", + isotope="T", +) + +sic_density = ( + 3.21 * u.g * u.cm**-3 +) # ref: https://pubchem.ncbi.nlm.nih.gov/compound/Silicon-carbide +sic_molecular_weight = ( + 40.096 * u.g * u.mol**-1 +) # ref: https://pubchem.ncbi.nlm.nih.gov/compound/Silicon-carbide +sic_atom_density = sic_density / sic_molecular_weight + + +causey_beta_vapor_dep_solubility = Solubility( + S_0=8.77e-9 * u.atm**-0.5 * sic_atom_density, + E_S=-37.0 * u.kcal * u.mol**-1, + range=(u.Quantity(1000, u.degC), u.Quantity(1400, u.degC)), + note="vapor-deposited beta-SiC, at 1 atm", + isotope="D", + source="causey_hydrogen_1978", +) + +properties = [ + causey_alpha_diffusivity, + causey_beta_diffusivity, + causey_al_doped_alpha_diffusivity, + causey_vapor_dep_beta_diffusivity, + causey_hot_pressed_alpha_diffusivity, + causey_sintered_beta_diffusivity, + causey_beta_vapor_dep_solubility, +] + +for prop in properties: + prop.material = htm.SIC + +htm.database += properties diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 9203cc30..0ddf0649 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2736,4 +2736,21 @@ @article{xu_bi-directional_2017 year = {2017}, keywords = {F82H, First wall, Gas- and plasma-driven permeation, Isotopic effect, Transport parameters}, pages = {343--348}, +} + +@article{causey_hydrogen_1978, + title = {Hydrogen {Diffusion} and {Solubility} in {Silicon} {Carbide}}, + volume = {61}, + issn = {1551-2916}, + url = {https://onlinelibrary.wiley.com/doi/abs/10.1111/j.1151-2916.1978.tb09284.x}, + doi = {10.1111/j.1151-2916.1978.tb09284.x}, + abstract = {Tritium diffusion coefficients and deuterium solubilities were measured for silicon carbide. At 500° to 1300° C, measured tritium diffusion coefficients were much lower than the recorded values for metals, whereas the activation energies for diffusion were much higher (30 to 75 kcal/mol). The solubility of deuterium in silicon carbide decreased as temperature increased and exhibited a pressure dependence of ∼P1l2.}, + language = {en}, + number = {5-6}, + urldate = {2024-09-17}, + journal = {Journal of the American Ceramic Society}, + author = {Causey, R. A. and Fowler, J. D. and Ravanbakht, Camran and Elleman, T. S. and Verghese, Kuruvilla}, + year = {1978}, + note = {\_eprint: https://onlinelibrary.wiley.com/doi/pdf/10.1111/j.1151-2916.1978.tb09284.x}, + pages = {221--225}, } \ No newline at end of file From 27060c7bcc0744a99a638fafc77ef183a0d1c8b2 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 17 Sep 2024 11:32:28 -0400 Subject: [PATCH 115/123] added Okana properties --- h_transport_materials/material.py | 5 +- .../property_database/palladium_copper.py | 53 +++++++++++++------ h_transport_materials/references.bib | 16 ++++++ 3 files changed, 58 insertions(+), 16 deletions(-) diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index 7aff11f6..e1cbd9f6 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -113,9 +113,11 @@ class MoltenSalt(Material): class FeCrAl(Steel): family = "fecral" + class PalladiumAlloy(Alloy): family = "palladium alloy" + TUNGSTEN = Tungsten() BERYLLIUM = Beryllium() CARBON = Carbon() @@ -165,4 +167,5 @@ class PalladiumAlloy(Alloy): TZM = Alloy("tzm") -PD52CU = PalladiumAlloy("pd52cu") \ No newline at end of file +PD60CU40 = PalladiumAlloy("60pd40cu") +PD52CU = PalladiumAlloy("pd52cu") diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index ff5ee9e1..ac7da2c5 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -2,19 +2,22 @@ from h_transport_materials import ( Permeability, Diffusivity, -) +) import numpy as np u = htm.ureg -li_data_T = np.array( - [ - 350, - 375, - 400, - 425, - ] -) * u.degC +li_data_T = ( + np.array( + [ + 350, + 375, + 400, + 425, + ] + ) + * u.degC +) li_data_y = ( np.array( @@ -25,9 +28,9 @@ 1.60e-8, ] ) - * u.mol - * u.m**-1 - * u.Pa**-0.5 + * u.mol + * u.m**-1 + * u.Pa**-0.5 * u.s**-1 ) @@ -36,7 +39,8 @@ data_y=li_data_y, source="li_low_2023", isotope="H", - note="SI Table 1 (supporting information)" + note="SI Table 1 (supporting information)", + material=htm.PD52CU, ) piper_diffusivity_h = Diffusivity( @@ -46,14 +50,33 @@ isotope="H", source="piper_diffusion_2004", note="Equation 6 - this Arrhenius fit holds for when the alloy is in the beta phase for 52.5 percent copper. These range values were found outside of the paper.", + material=htm.PD52CU, +) + +onaka_diffusivity = Diffusivity( + D_0=2.9e-8 * u.m**2 * u.s**-1, + E_D=0.048 * u.eV * u.particle**-1, + isotope="D", + range=(u.Quantity(350, u.K), u.Quantity(600, u.K)), + source="onaka_characteristic_2016", + material=htm.PD60CU40, +) + +onaka_recombination = htm.RecombinationCoeff( + pre_exp=1.43e-26 * u.m**4 * u.s**-1 * u.particle**-1, + act_energy=0.40 * u.eV * u.particle**-1, + isotope="D", + range=(u.Quantity(350, u.K), u.Quantity(600, u.K)), + source="onaka_characteristic_2016", + material=htm.PD60CU40, ) properties = [ li_permeability_h, piper_diffusivity_h, + onaka_recombination, + onaka_diffusivity, ] -for prop in properties: - prop.material = htm.PD52CU htm.database += properties diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 9203cc30..69fa5293 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2708,6 +2708,22 @@ @article{shirasu_thermodynamic_1993 pages = {218--222}, } +@article{onaka_characteristic_2016, + title = {Characteristic of a {pdCu} membrane as atomic hydrogen probe for {QUEST}}, + volume = {9}, + issn = {2352-1791}, + url = {https://www.sciencedirect.com/science/article/pii/S235217911530048X}, + doi = {10.1016/j.nme.2016.09.001}, + abstract = {A permeation probe is a useful device for detecting the atomic hydrogen flux to plasma-facing walls. Recently, we developed a new type of probe using 60Pd-40Cu alloy (PdCu) as the permeation material. The deuterium behaviors in PdCu samples were investigated using nuclear reaction analysis (NRA) and permeation observations, and the diffusion coefficient and recombination coefficients were determined from these observations. It was found that the sensitivity of a 0.02-mm-thick probe was as high as 0.5 below 473K and was independent of the incident flux. The response time at 473K was 0.41s and 1.3s under an incident flux of 1020m−2s−1 and 1019m−2s−1, respectively. Thus, we concluded that the new PdCu probe can effectively detect the incident atomic hydrogen with high sensitivity and a suitable response time.}, + urldate = {2024-09-17}, + journal = {Nuclear Materials and Energy}, + author = {Onaka, Masayuki and Takagi, Ikuji and Kobayashi, Taishi and Sasaki, Takayuki and Kuzmin, Arseniy and Zushi, Hideki}, + month = dec, + year = {2016}, + keywords = {Diffusion, Hydrogen, Nuclear reaction analysis, Palladium alloy, Permeation, Plasma-wall interaction}, + pages = {104--108}, +} + @article{fuerst_hastelloyn_2024, title = {Hydrogen and deuterium permeation in Hastelloy N}, journal = {Journal of Nuclear Materials}, From 86cdc888b7e98a6c6805c37054c1109320b6543e Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 9 Oct 2024 09:49:23 -0400 Subject: [PATCH 116/123] added wille data (3 diffusivities) --- .../property_database/titanium.py | 51 ++++++++++++++++++- h_transport_materials/references.bib | 13 +++++ 2 files changed, 63 insertions(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/titanium.py b/h_transport_materials/property_database/titanium.py index a8f795f5..52eb7834 100644 --- a/h_transport_materials/property_database/titanium.py +++ b/h_transport_materials/property_database/titanium.py @@ -21,7 +21,56 @@ source="reiter_compilation_1996", ) -properties = [reiter_diffusivity, reiter_solubility] +wille_diffusivity_1 = Diffusivity( + D_0=0.9e-2 * u.cm**2 * u.s**-1, + E_D=12400 * u.cal * u.mol**-1, + range=(873 * u.K, 1123 * u.K), + source="wille_hydrogen_1981", + isotope="H", + note=( + "Table 3-1, item a, Commercial Pure Ti, alpha phase. " + "Range is unknown and not specified in the report, " + "assuming same as for Reiter 1996. The report cites " + "another paper from 1958 but don't have access to it." + ), +) + +wille_diffusivity_2 = Diffusivity( + D_0=0.27e-2 * u.cm**2 * u.s**-1, + E_D=14200 * u.cal * u.mol**-1, + range=(873 * u.K, 1123 * u.K), + source="wille_hydrogen_1981", + isotope="H", + note=( + "Table 3-1, item b, Commercial Pure Ti, alpha phase. " + "Range is unknown and not specified in the report, " + "assuming same as for Reiter 1996. The report cites " + "a master thesis from Schleicher, H but don't have access to it." + ), +) + +wille_diffusivity_3 = Diffusivity( + D_0=0.06e-2 * u.cm**2 * u.s**-1, + E_D=14400 * u.cal * u.mol**-1, + range=(873 * u.K, 1123 * u.K), + source="wille_hydrogen_1981", + isotope="H", + note=( + "Table 3-1, item d, Commercial Pure Ti, alpha phase. " + "Range is unknown and not specified in the report, " + "assuming same as for Reiter 1996. The report cites " + "another report from Covington 1979, but don't have access to it." + ), +) + + +properties = [ + reiter_diffusivity, + reiter_solubility, + wille_diffusivity_1, + wille_diffusivity_2, + wille_diffusivity_3, +] for prop in properties: prop.material = htm.TITANIUM diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 0ddf0649..fdd623c8 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2753,4 +2753,17 @@ @article{causey_hydrogen_1978 year = {1978}, note = {\_eprint: https://onlinelibrary.wiley.com/doi/pdf/10.1111/j.1151-2916.1978.tb09284.x}, pages = {221--225}, +} + +@techreport{wille_hydrogen_1981, + title = {Hydrogen in titanium alloys}, + url = {https://www.osti.gov/biblio/6420120}, + abstract = {The titanium alloys that offer properties worthy of consideration for fusion reactors are Ti-6Al-4V, Ti-6Al-2Sn-4Zr-2Mo-Si (Ti-6242S) and Ti-5Al-6Sn-2Zr-1Mo-Si (Ti-5621S). The Ti-6242S and Ti-5621S are being considered because of their high creep resistance at elevated temperatures of 500/sup 0/C. Also, irradiation tests on these alloys have shown irradiation creep properties comparable to 20\% cold worked 316 stainless steel. These alloys would be susceptible to slow strain rate embrittlement if sufficient hydrogen concentrations are obtained. Concentrations greater than 250 to 500 wppm hydrogen and temperatures lower than 100 to 150/sup 0/C are approximate threshold conditions for detrimental effects on tensile properties. Indications are that at the elevated temperature - low hydrogen pressure conditions of the reactors, there would be negligible hydrogen embrittlement.}, + language = {English}, + number = {DOE/ET/52039-2}, + institution = {McDonnell Douglas Astronautics Co., St. Louis, MO (USA)}, + author = {Wille, G. W. and Davis, J. W.}, + month = apr, + year = {1981}, + doi = {10.2172/6420120}, } \ No newline at end of file From eed1673565e2f59197fd471bc9b2c79083f57af7 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?R=C3=A9mi=20Delaporte-Mathurin?= <40028739+RemDelaporteMathurin@users.noreply.github.com> Date: Wed, 9 Oct 2024 11:10:39 -0400 Subject: [PATCH 117/123] coma Co-authored-by: Vladimir Kulagin <59147151+KulaginVladimir@users.noreply.github.com> --- h_transport_materials/property_database/titanium.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/titanium.py b/h_transport_materials/property_database/titanium.py index 52eb7834..9d71bc79 100644 --- a/h_transport_materials/property_database/titanium.py +++ b/h_transport_materials/property_database/titanium.py @@ -31,7 +31,7 @@ "Table 3-1, item a, Commercial Pure Ti, alpha phase. " "Range is unknown and not specified in the report, " "assuming same as for Reiter 1996. The report cites " - "another paper from 1958 but don't have access to it." + "another paper from 1958, but don't have access to it." ), ) From 1730c12dcbc8f2b0034c354bb239ae283b60e4a4 Mon Sep 17 00:00:00 2001 From: KulaginVladimir Date: Wed, 9 Oct 2024 22:16:44 +0300 Subject: [PATCH 118/123] Zhou2024 data for W Cr Fe --- h_transport_materials/material.py | 1 + h_transport_materials/property.py | 12 +-- .../property_database/FeCrAl/__init__.py | 1 - .../property_database/FeCrAl/apmt/apmt.py | 6 +- .../FeCrAl/fe22cr5al/__init__.py | 1 - .../FeCrAl/fe22cr5al/fe22cr5al.py | 6 +- .../FeCrAl/oxidized_1605/__init__.py | 1 - .../FeCrAl/oxidized_1605/oxidized_1605.py | 6 +- .../property_database/FeCrAl/t35y/__init__.py | 1 - .../property_database/FeCrAl/t35y/t35y.py | 6 +- .../property_database/FeCrAl/t54y/__init__.py | 1 - .../property_database/FeCrAl/t54y/t54y.py | 6 +- .../FeCrAl/thermacore/__init__.py | 1 - .../FeCrAl/thermacore/thermacore.py | 6 +- .../FeCrAl/thermacore_oxidized/__init__.py | 1 - .../thermacore_oxidized.py | 6 +- .../property_database/__init__.py | 2 + .../property_database/chromium.py | 81 +++++++++++++++++++ .../eurofer_97/eurofer_97.py | 18 +---- .../property_database/flinak/flinak.py | 4 +- .../property_database/iron.py | 69 ++++++++++++++++ .../property_database/molybdenum.py | 2 +- .../property_database/palladium_copper.py | 29 ++++--- .../property_database/ss_304/__init__.py | 1 - .../property_database/tungsten/tungsten.py | 69 ++++++++++++++++ .../property_database/tzm.py | 2 +- h_transport_materials/references.bib | 11 +++ tests/test_arhenius_property.py | 4 +- 28 files changed, 280 insertions(+), 74 deletions(-) create mode 100644 h_transport_materials/property_database/chromium.py diff --git a/h_transport_materials/material.py b/h_transport_materials/material.py index 148a67ff..d8a0955e 100644 --- a/h_transport_materials/material.py +++ b/h_transport_materials/material.py @@ -153,6 +153,7 @@ class PalladiumAlloy(Alloy): PDAG = PalladiumAlloy("pdag") ZIRCONIUM = PureMetal("zirconium", "Zr") YTTRIUM = PureMetal("yttrium", "Y") +CHROMIUM = PureMetal("chromium", "Cr") ALUMINA = Compound("alumina") EUROFER = Steel("eurofer_97") diff --git a/h_transport_materials/property.py b/h_transport_materials/property.py index 64fc421c..709a8ad3 100644 --- a/h_transport_materials/property.py +++ b/h_transport_materials/property.py @@ -619,12 +619,8 @@ def data_y(self, value): self._data_y = value def set_law_from_quantity(self, quantity): - sievert_units = ( - ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 - ) - henry_units = ( - ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1 - ) + sievert_units = ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 + henry_units = ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1 if quantity.check(sievert_units): self.law = "sievert" elif quantity.check(henry_units): @@ -637,9 +633,7 @@ def set_law_from_quantity(self, quantity): @property def units(self): if self.law == "sievert": - return ( - ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 - ) + return ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 elif self.law == "henry": return ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1 diff --git a/h_transport_materials/property_database/FeCrAl/__init__.py b/h_transport_materials/property_database/FeCrAl/__init__.py index b43cc631..7704e8d3 100644 --- a/h_transport_materials/property_database/FeCrAl/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/__init__.py @@ -5,4 +5,3 @@ from . import t54y from . import thermacore from . import thermacore_oxidized - diff --git a/h_transport_materials/property_database/FeCrAl/apmt/apmt.py b/h_transport_materials/property_database/FeCrAl/apmt/apmt.py index 1f199690..07de0010 100644 --- a/h_transport_materials/property_database/FeCrAl/apmt/apmt.py +++ b/h_transport_materials/property_database/FeCrAl/apmt/apmt.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-0.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", diff --git a/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py b/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py index d6c699b3..6086a48b 100644 --- a/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py @@ -1,2 +1 @@ from . import fe22cr5al - diff --git a/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py b/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py index fb92e627..c9a80555 100644 --- a/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py +++ b/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) xu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.Pa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.Pa ** (-0.5), source="xu_studies_2016", isotope="D", note="Figure 1, oxidised", diff --git a/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py b/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py index d212d270..13807a2e 100644 --- a/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py @@ -1,2 +1 @@ from . import oxidized_1605 - diff --git a/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py b/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py index 970f00a5..527511e1 100644 --- a/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py +++ b/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) ash_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5), source="ashdown_alloy_1980", isotope="H", ) diff --git a/h_transport_materials/property_database/FeCrAl/t35y/__init__.py b/h_transport_materials/property_database/FeCrAl/t35y/__init__.py index d7f3ca5e..0bcc1997 100644 --- a/h_transport_materials/property_database/FeCrAl/t35y/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/t35y/__init__.py @@ -1,2 +1 @@ from . import t35y - diff --git a/h_transport_materials/property_database/FeCrAl/t35y/t35y.py b/h_transport_materials/property_database/FeCrAl/t35y/t35y.py index 5ad775d5..89ba2116 100644 --- a/h_transport_materials/property_database/FeCrAl/t35y/t35y.py +++ b/h_transport_materials/property_database/FeCrAl/t35y/t35y.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", diff --git a/h_transport_materials/property_database/FeCrAl/t54y/__init__.py b/h_transport_materials/property_database/FeCrAl/t54y/__init__.py index 2b03860e..40902a2b 100644 --- a/h_transport_materials/property_database/FeCrAl/t54y/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/t54y/__init__.py @@ -1,2 +1 @@ from . import t54y - diff --git a/h_transport_materials/property_database/FeCrAl/t54y/t54y.py b/h_transport_materials/property_database/FeCrAl/t54y/t54y.py index 9b847b72..e82201e9 100644 --- a/h_transport_materials/property_database/FeCrAl/t54y/t54y.py +++ b/h_transport_materials/property_database/FeCrAl/t54y/t54y.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", diff --git a/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py b/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py index ff4bc76f..7364aa0a 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py @@ -1,2 +1 @@ from . import thermacore - diff --git a/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py b/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py index 5cf7784c..0349712d 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) van_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5), source="vandeventer_hydrogen_1980", isotope="H", note="Figure 2", diff --git a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py index 83db5516..4c2458f8 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py @@ -1,2 +1 @@ from . import thermacore_oxidized - diff --git a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py index 394f1248..40d41e0c 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) van_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5), source="vandeventer_hydrogen_1980", isotope="H", note="Figure 2", diff --git a/h_transport_materials/property_database/__init__.py b/h_transport_materials/property_database/__init__.py index e679e927..b51a4f39 100644 --- a/h_transport_materials/property_database/__init__.py +++ b/h_transport_materials/property_database/__init__.py @@ -72,3 +72,5 @@ from . import palladium_copper from . import sic + +from . import chromium diff --git a/h_transport_materials/property_database/chromium.py b/h_transport_materials/property_database/chromium.py new file mode 100644 index 00000000..f3fb1233 --- /dev/null +++ b/h_transport_materials/property_database/chromium.py @@ -0,0 +1,81 @@ +import h_transport_materials as htm +from h_transport_materials import Diffusivity + +u = htm.ureg + +zhou_diffusivity_chromium_h_model1 = Diffusivity( + D_0=1.680e-7 * u.m**2 * u.s**-1, + E_D=0.0994 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="H", + note="Table 2. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_chromium_h_model4 = Diffusivity( + D_0=1.366e-7 * u.m**2 * u.s**-1, + E_D=0.0998 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="H", + note=( + "Table 2. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + +zhou_diffusivity_chromium_d_model1 = Diffusivity( + D_0=1.383e-7 * u.m**2 * u.s**-1, + E_D=0.111 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="D", + note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_chromium_d_model4 = Diffusivity( + D_0=1.110e-7 * u.m**2 * u.s**-1, + E_D=0.110 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="D", + note=( + "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + +zhou_diffusivity_chromium_t_model1 = Diffusivity( + D_0=1.204e-7 * u.m**2 * u.s**-1, + E_D=0.114 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="T", + note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_chromium_t_model4 = Diffusivity( + D_0=9.539e-8 * u.m**2 * u.s**-1, + E_D=0.114 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="T", + note=( + "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + +properties = [ + zhou_diffusivity_chromium_h_model1, + zhou_diffusivity_chromium_h_model4, + zhou_diffusivity_chromium_d_model1, + zhou_diffusivity_chromium_d_model4, + zhou_diffusivity_chromium_t_model1, + zhou_diffusivity_chromium_t_model4, +] + +for prop in properties: + prop.material = htm.CHROMIUM + +htm.database += properties diff --git a/h_transport_materials/property_database/eurofer_97/eurofer_97.py b/h_transport_materials/property_database/eurofer_97/eurofer_97.py index 4526f0d5..bdee4ab1 100644 --- a/h_transport_materials/property_database/eurofer_97/eurofer_97.py +++ b/h_transport_materials/property_database/eurofer_97/eurofer_97.py @@ -8,11 +8,7 @@ aiello_permeability_H = Permeability( data_T=1000 / aiello_permeability_data["H"]["x"] * u.K, - data_y=aiello_permeability_data["H"]["y"] - * u.mol - * u.m**-1 - * u.Pa**-0.5 - * u.s**-1, + data_y=aiello_permeability_data["H"]["y"] * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, source="aiello_hydrogen_2002", isotope="H", note="in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", @@ -21,11 +17,7 @@ aiello_permeability_D = Permeability( data_T=1000 / aiello_permeability_data["D"]["x"] * u.K, - data_y=aiello_permeability_data["D"]["y"] - * u.mol - * u.m**-1 - * u.Pa**-0.5 - * u.s**-1, + data_y=aiello_permeability_data["D"]["y"] * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, source="aiello_hydrogen_2002", isotope="D", note="in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", @@ -92,11 +84,7 @@ esteban_permeability = Permeability( data_T=1000 / esteban_permeability_data[:, 0] * u.K, - data_y=esteban_permeability_data[:, 1] - * u.mol - * u.m**-1 - * u.Pa**-0.5 - * u.s**-1, + data_y=esteban_permeability_data[:, 1] * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, source="esteban_hydrogen_2007", isotope="H", ) diff --git a/h_transport_materials/property_database/flinak/flinak.py b/h_transport_materials/property_database/flinak/flinak.py index 9c55c733..65825400 100644 --- a/h_transport_materials/property_database/flinak/flinak.py +++ b/h_transport_materials/property_database/flinak/flinak.py @@ -47,9 +47,7 @@ ) data_nakamura_sol_flinak_T = 1 / data_nakamura["sol_flinakx"] * u.K -data_nakamura_sol_flinak_y = ( - data_nakamura["sol_flinaky"] * u.mol * u.m**-3 * u.Pa**-1 -) +data_nakamura_sol_flinak_y = data_nakamura["sol_flinaky"] * u.mol * u.m**-3 * u.Pa**-1 nakamura_solubility_h = Solubility( data_T=data_nakamura_sol_flinak_T, data_y=data_nakamura_sol_flinak_y, diff --git a/h_transport_materials/property_database/iron.py b/h_transport_materials/property_database/iron.py index 9d944f36..cd3a7308 100644 --- a/h_transport_materials/property_database/iron.py +++ b/h_transport_materials/property_database/iron.py @@ -124,6 +124,69 @@ note="gamma phase", ) +zhou_diffusivity_iron_h_model1 = Diffusivity( + D_0=1.458e-7 * u.m**2 * u.s**-1, + E_D=0.0817 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="H", + note="Table 2. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_iron_h_model4 = Diffusivity( + D_0=1.076e-7 * u.m**2 * u.s**-1, + E_D=0.0734 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="H", + note=( + "Table 2. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + +zhou_diffusivity_iron_d_model1 = Diffusivity( + D_0=1.143e-7 * u.m**2 * u.s**-1, + E_D=0.0874 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="D", + note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_iron_d_model4 = Diffusivity( + D_0=8.482e-8 * u.m**2 * u.s**-1, + E_D=0.0810 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="D", + note=( + "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + +zhou_diffusivity_iron_t_model1 = Diffusivity( + D_0=9.754e-8 * u.m**2 * u.s**-1, + E_D=0.0889 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="T", + note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_iron_t_model4 = Diffusivity( + D_0=7.190e-8 * u.m**2 * u.s**-1, + E_D=0.0833 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="T", + note=( + "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + properties = [ volkl_diffusivity, tahara_diffusivity_H, @@ -136,6 +199,12 @@ addach_diffusivity, masui_permeability_alpha, masui_permeability_gamma, + zhou_diffusivity_iron_h_model1, + zhou_diffusivity_iron_h_model4, + zhou_diffusivity_iron_d_model1, + zhou_diffusivity_iron_d_model4, + zhou_diffusivity_iron_t_model1, + zhou_diffusivity_iron_t_model4, ] for prop in properties: diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index 3f442d70..901f9c42 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -67,7 +67,7 @@ tanabe_solubility, katsuta_solubility, frauenfelder_permeability, - guthrie_permeability + guthrie_permeability, ] for prop in properties: diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index ff5ee9e1..32128ab7 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -2,19 +2,22 @@ from h_transport_materials import ( Permeability, Diffusivity, -) +) import numpy as np u = htm.ureg -li_data_T = np.array( - [ - 350, - 375, - 400, - 425, - ] -) * u.degC +li_data_T = ( + np.array( + [ + 350, + 375, + 400, + 425, + ] + ) + * u.degC +) li_data_y = ( np.array( @@ -25,9 +28,9 @@ 1.60e-8, ] ) - * u.mol - * u.m**-1 - * u.Pa**-0.5 + * u.mol + * u.m**-1 + * u.Pa**-0.5 * u.s**-1 ) @@ -36,7 +39,7 @@ data_y=li_data_y, source="li_low_2023", isotope="H", - note="SI Table 1 (supporting information)" + note="SI Table 1 (supporting information)", ) piper_diffusivity_h = Diffusivity( diff --git a/h_transport_materials/property_database/ss_304/__init__.py b/h_transport_materials/property_database/ss_304/__init__.py index 3a05405b..b1e0b7e3 100644 --- a/h_transport_materials/property_database/ss_304/__init__.py +++ b/h_transport_materials/property_database/ss_304/__init__.py @@ -1,2 +1 @@ from . import ss_304 - diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 97011f8b..28cc89c7 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -488,6 +488,69 @@ note="Table 2 CR", ) +zhou_diffusivity_tungsten_h_model1 = Diffusivity( + D_0=1.934e-7 * u.m**2 * u.s**-1, + E_D=0.201 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="H", + note="Table 2. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_tungsten_h_model4 = Diffusivity( + D_0=1.876e-7 * u.m**2 * u.s**-1, + E_D=0.201 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="H", + note=( + "Table 2. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + +zhou_diffusivity_tungsten_d_model1 = Diffusivity( + D_0=1.509e-7 * u.m**2 * u.s**-1, + E_D=0.206 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="D", + note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_tungsten_d_model4 = Diffusivity( + D_0=1.460e-7 * u.m**2 * u.s**-1, + E_D=0.206 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="D", + note=( + "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + +zhou_diffusivity_tungsten_t_model1 = Diffusivity( + D_0=1.270e-7 * u.m**2 * u.s**-1, + E_D=0.207 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="T", + note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", +) + +zhou_diffusivity_tungsten_t_model4 = Diffusivity( + D_0=1.226e-7 * u.m**2 * u.s**-1, + E_D=0.207 * u.eV * u.particle**-1, + range=(297 * u.K, 1000 * u.K), + source="zhou_hydrogen_isotopes_2024", + isotope="T", + note=( + "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " + "with hydrogen isotope vibrations and thermal expansion" + ), +) + properties = [ frauenfelder_diffusivity, liu_diffusivity_tungsten, @@ -536,6 +599,12 @@ byeon_diffusivity_CR, byeon_permeability_IG, byeon_permeability_CR, + zhou_diffusivity_tungsten_h_model1, + zhou_diffusivity_tungsten_h_model4, + zhou_diffusivity_tungsten_d_model1, + zhou_diffusivity_tungsten_d_model4, + zhou_diffusivity_tungsten_t_model1, + zhou_diffusivity_tungsten_t_model4, ] for prop in properties: diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index 4b21905e..868908a3 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -5,7 +5,7 @@ Solubility, DissociationCoeff, RecombinationCoeff, -) +) import numpy as np u = htm.ureg diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index fdd623c8..180f44b7 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2766,4 +2766,15 @@ @techreport{wille_hydrogen_1981 month = apr, year = {1981}, doi = {10.2172/6420120}, +} + +@article{zhou_hydrogen_isotopes_2024, + title={Thermal expansion, lattice vibration, and isotope effect on hydrogen diffusion in BCC Fe, Cr, and W from first-principles calculations}, + author={Zhou, Ziling and Nie, Rui and Wang, Yu and Guo, Jingni and Xie, Feng and Cao, Jianzhu and Wen, Yanwei and Shan, Bin}, + journal={The Journal of Chemical Physics}, + url = {https://pubs.aip.org/aip/jcp/article/160/18/184703/3290607/Thermal-expansion-lattice-vibration-and-isotope}, + volume={160}, + number={18}, + year={2024}, + publisher={AIP Publishing} } \ No newline at end of file diff --git a/tests/test_arhenius_property.py b/tests/test_arhenius_property.py index 7c219107..02d246ee 100644 --- a/tests/test_arhenius_property.py +++ b/tests/test_arhenius_property.py @@ -159,9 +159,7 @@ def test_no_units_preexp_raises_warning(): with pytest.warns( UserWarning, match="no units were given with pre-exponential factor" ): - htm.ArrheniusProperty( - 0.1, act_energy=0.1 * htm.ureg.eV * htm.ureg.particle**-1 - ) + htm.ArrheniusProperty(0.1, act_energy=0.1 * htm.ureg.eV * htm.ureg.particle**-1) def test_no_units_act_energy_raises_warning(): From e985f0b2142b5b418f0308cb1a7d5fd96cb54838 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 9 Oct 2024 16:15:57 -0400 Subject: [PATCH 119/123] black formatted --- h_transport_materials/property.py | 12 ++------ .../property_database/FeCrAl/__init__.py | 1 - .../property_database/FeCrAl/apmt/apmt.py | 6 ++-- .../FeCrAl/fe22cr5al/__init__.py | 1 - .../FeCrAl/fe22cr5al/fe22cr5al.py | 6 ++-- .../FeCrAl/oxidized_1605/__init__.py | 1 - .../FeCrAl/oxidized_1605/oxidized_1605.py | 6 ++-- .../property_database/FeCrAl/t35y/__init__.py | 1 - .../property_database/FeCrAl/t35y/t35y.py | 6 ++-- .../property_database/FeCrAl/t54y/__init__.py | 1 - .../property_database/FeCrAl/t54y/t54y.py | 6 ++-- .../FeCrAl/thermacore/__init__.py | 1 - .../FeCrAl/thermacore/thermacore.py | 6 ++-- .../FeCrAl/thermacore_oxidized/__init__.py | 1 - .../thermacore_oxidized.py | 6 ++-- .../eurofer_97/eurofer_97.py | 18 ++---------- .../property_database/flinak/flinak.py | 4 +-- .../property_database/molybdenum.py | 2 +- .../property_database/palladium_copper.py | 29 ++++++++++--------- .../property_database/ss_304/__init__.py | 1 - .../property_database/tzm.py | 2 +- 21 files changed, 46 insertions(+), 71 deletions(-) diff --git a/h_transport_materials/property.py b/h_transport_materials/property.py index 64fc421c..709a8ad3 100644 --- a/h_transport_materials/property.py +++ b/h_transport_materials/property.py @@ -619,12 +619,8 @@ def data_y(self, value): self._data_y = value def set_law_from_quantity(self, quantity): - sievert_units = ( - ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 - ) - henry_units = ( - ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1 - ) + sievert_units = ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 + henry_units = ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1 if quantity.check(sievert_units): self.law = "sievert" elif quantity.check(henry_units): @@ -637,9 +633,7 @@ def set_law_from_quantity(self, quantity): @property def units(self): if self.law == "sievert": - return ( - ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 - ) + return ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-0.5 elif self.law == "henry": return ureg.particle * ureg.meter**-1 * ureg.second**-1 * ureg.Pa**-1 diff --git a/h_transport_materials/property_database/FeCrAl/__init__.py b/h_transport_materials/property_database/FeCrAl/__init__.py index b43cc631..7704e8d3 100644 --- a/h_transport_materials/property_database/FeCrAl/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/__init__.py @@ -5,4 +5,3 @@ from . import t54y from . import thermacore from . import thermacore_oxidized - diff --git a/h_transport_materials/property_database/FeCrAl/apmt/apmt.py b/h_transport_materials/property_database/FeCrAl/apmt/apmt.py index 1f199690..07de0010 100644 --- a/h_transport_materials/property_database/FeCrAl/apmt/apmt.py +++ b/h_transport_materials/property_database/FeCrAl/apmt/apmt.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-0.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", diff --git a/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py b/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py index d6c699b3..6086a48b 100644 --- a/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/fe22cr5al/__init__.py @@ -1,2 +1 @@ from . import fe22cr5al - diff --git a/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py b/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py index fb92e627..c9a80555 100644 --- a/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py +++ b/h_transport_materials/property_database/FeCrAl/fe22cr5al/fe22cr5al.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) xu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.Pa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.Pa ** (-0.5), source="xu_studies_2016", isotope="D", note="Figure 1, oxidised", diff --git a/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py b/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py index d212d270..13807a2e 100644 --- a/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/oxidized_1605/__init__.py @@ -1,2 +1 @@ from . import oxidized_1605 - diff --git a/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py b/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py index 970f00a5..527511e1 100644 --- a/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py +++ b/h_transport_materials/property_database/FeCrAl/oxidized_1605/oxidized_1605.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) ash_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5), source="ashdown_alloy_1980", isotope="H", ) diff --git a/h_transport_materials/property_database/FeCrAl/t35y/__init__.py b/h_transport_materials/property_database/FeCrAl/t35y/__init__.py index d7f3ca5e..0bcc1997 100644 --- a/h_transport_materials/property_database/FeCrAl/t35y/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/t35y/__init__.py @@ -1,2 +1 @@ from . import t35y - diff --git a/h_transport_materials/property_database/FeCrAl/t35y/t35y.py b/h_transport_materials/property_database/FeCrAl/t35y/t35y.py index 5ad775d5..89ba2116 100644 --- a/h_transport_materials/property_database/FeCrAl/t35y/t35y.py +++ b/h_transport_materials/property_database/FeCrAl/t35y/t35y.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", diff --git a/h_transport_materials/property_database/FeCrAl/t54y/__init__.py b/h_transport_materials/property_database/FeCrAl/t54y/__init__.py index 2b03860e..40902a2b 100644 --- a/h_transport_materials/property_database/FeCrAl/t54y/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/t54y/__init__.py @@ -1,2 +1 @@ from . import t54y - diff --git a/h_transport_materials/property_database/FeCrAl/t54y/t54y.py b/h_transport_materials/property_database/FeCrAl/t54y/t54y.py index 9b847b72..e82201e9 100644 --- a/h_transport_materials/property_database/FeCrAl/t54y/t54y.py +++ b/h_transport_materials/property_database/FeCrAl/t54y/t54y.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) Hu_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.mol * u.m**(-1) * u.s**(-1) * u.MPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.mol * u.m ** (-1) * u.s ** (-1) * u.MPa ** (-0.5), source="hu_hydrogen_2015", isotope="H", note="Figure 6", diff --git a/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py b/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py index ff4bc76f..7364aa0a 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore/__init__.py @@ -1,2 +1 @@ from . import thermacore - diff --git a/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py b/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py index 5cf7784c..0349712d 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore/thermacore.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) van_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5), source="vandeventer_hydrogen_1980", isotope="H", note="Figure 2", diff --git a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py index 83db5516..4c2458f8 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/__init__.py @@ -1,2 +1 @@ from . import thermacore_oxidized - diff --git a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py index 394f1248..40d41e0c 100644 --- a/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py +++ b/h_transport_materials/property_database/FeCrAl/thermacore_oxidized/thermacore_oxidized.py @@ -1,7 +1,7 @@ import h_transport_materials as htm from h_transport_materials import ( Permeability, -) +) import numpy as np u = htm.ureg @@ -12,8 +12,8 @@ ) van_perm = Permeability( - data_T=(1000 / data[:,0]) * u.K, - data_y=data[:,1] * u.micromol * u.m**(-1) * u.s**(-1) * u.kPa**(-.5), + data_T=(1000 / data[:, 0]) * u.K, + data_y=data[:, 1] * u.micromol * u.m ** (-1) * u.s ** (-1) * u.kPa ** (-0.5), source="vandeventer_hydrogen_1980", isotope="H", note="Figure 2", diff --git a/h_transport_materials/property_database/eurofer_97/eurofer_97.py b/h_transport_materials/property_database/eurofer_97/eurofer_97.py index 4526f0d5..bdee4ab1 100644 --- a/h_transport_materials/property_database/eurofer_97/eurofer_97.py +++ b/h_transport_materials/property_database/eurofer_97/eurofer_97.py @@ -8,11 +8,7 @@ aiello_permeability_H = Permeability( data_T=1000 / aiello_permeability_data["H"]["x"] * u.K, - data_y=aiello_permeability_data["H"]["y"] - * u.mol - * u.m**-1 - * u.Pa**-0.5 - * u.s**-1, + data_y=aiello_permeability_data["H"]["y"] * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, source="aiello_hydrogen_2002", isotope="H", note="in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", @@ -21,11 +17,7 @@ aiello_permeability_D = Permeability( data_T=1000 / aiello_permeability_data["D"]["x"] * u.K, - data_y=aiello_permeability_data["D"]["y"] - * u.mol - * u.m**-1 - * u.Pa**-0.5 - * u.s**-1, + data_y=aiello_permeability_data["D"]["y"] * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, source="aiello_hydrogen_2002", isotope="D", note="in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", @@ -92,11 +84,7 @@ esteban_permeability = Permeability( data_T=1000 / esteban_permeability_data[:, 0] * u.K, - data_y=esteban_permeability_data[:, 1] - * u.mol - * u.m**-1 - * u.Pa**-0.5 - * u.s**-1, + data_y=esteban_permeability_data[:, 1] * u.mol * u.m**-1 * u.Pa**-0.5 * u.s**-1, source="esteban_hydrogen_2007", isotope="H", ) diff --git a/h_transport_materials/property_database/flinak/flinak.py b/h_transport_materials/property_database/flinak/flinak.py index 9c55c733..65825400 100644 --- a/h_transport_materials/property_database/flinak/flinak.py +++ b/h_transport_materials/property_database/flinak/flinak.py @@ -47,9 +47,7 @@ ) data_nakamura_sol_flinak_T = 1 / data_nakamura["sol_flinakx"] * u.K -data_nakamura_sol_flinak_y = ( - data_nakamura["sol_flinaky"] * u.mol * u.m**-3 * u.Pa**-1 -) +data_nakamura_sol_flinak_y = data_nakamura["sol_flinaky"] * u.mol * u.m**-3 * u.Pa**-1 nakamura_solubility_h = Solubility( data_T=data_nakamura_sol_flinak_T, data_y=data_nakamura_sol_flinak_y, diff --git a/h_transport_materials/property_database/molybdenum.py b/h_transport_materials/property_database/molybdenum.py index 3f442d70..901f9c42 100644 --- a/h_transport_materials/property_database/molybdenum.py +++ b/h_transport_materials/property_database/molybdenum.py @@ -67,7 +67,7 @@ tanabe_solubility, katsuta_solubility, frauenfelder_permeability, - guthrie_permeability + guthrie_permeability, ] for prop in properties: diff --git a/h_transport_materials/property_database/palladium_copper.py b/h_transport_materials/property_database/palladium_copper.py index ff5ee9e1..32128ab7 100644 --- a/h_transport_materials/property_database/palladium_copper.py +++ b/h_transport_materials/property_database/palladium_copper.py @@ -2,19 +2,22 @@ from h_transport_materials import ( Permeability, Diffusivity, -) +) import numpy as np u = htm.ureg -li_data_T = np.array( - [ - 350, - 375, - 400, - 425, - ] -) * u.degC +li_data_T = ( + np.array( + [ + 350, + 375, + 400, + 425, + ] + ) + * u.degC +) li_data_y = ( np.array( @@ -25,9 +28,9 @@ 1.60e-8, ] ) - * u.mol - * u.m**-1 - * u.Pa**-0.5 + * u.mol + * u.m**-1 + * u.Pa**-0.5 * u.s**-1 ) @@ -36,7 +39,7 @@ data_y=li_data_y, source="li_low_2023", isotope="H", - note="SI Table 1 (supporting information)" + note="SI Table 1 (supporting information)", ) piper_diffusivity_h = Diffusivity( diff --git a/h_transport_materials/property_database/ss_304/__init__.py b/h_transport_materials/property_database/ss_304/__init__.py index 3a05405b..b1e0b7e3 100644 --- a/h_transport_materials/property_database/ss_304/__init__.py +++ b/h_transport_materials/property_database/ss_304/__init__.py @@ -1,2 +1 @@ from . import ss_304 - diff --git a/h_transport_materials/property_database/tzm.py b/h_transport_materials/property_database/tzm.py index 4b21905e..868908a3 100644 --- a/h_transport_materials/property_database/tzm.py +++ b/h_transport_materials/property_database/tzm.py @@ -5,7 +5,7 @@ Solubility, DissociationCoeff, RecombinationCoeff, -) +) import numpy as np u = htm.ureg From 2b842b81397f754d9651e2439a6c7fb1420cc3e5 Mon Sep 17 00:00:00 2001 From: KulaginVladimir Date: Wed, 9 Oct 2024 23:48:25 +0300 Subject: [PATCH 120/123] upd source --- .../property_database/chromium.py | 12 +++++----- .../property_database/iron.py | 12 +++++----- .../property_database/tungsten/tungsten.py | 12 +++++----- h_transport_materials/references.bib | 22 +++++++++++-------- 4 files changed, 31 insertions(+), 27 deletions(-) diff --git a/h_transport_materials/property_database/chromium.py b/h_transport_materials/property_database/chromium.py index f3fb1233..ebee4a95 100644 --- a/h_transport_materials/property_database/chromium.py +++ b/h_transport_materials/property_database/chromium.py @@ -7,7 +7,7 @@ D_0=1.680e-7 * u.m**2 * u.s**-1, E_D=0.0994 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="H", note="Table 2. Model 1 considering only hydrogen isotope vibrations", ) @@ -16,7 +16,7 @@ D_0=1.366e-7 * u.m**2 * u.s**-1, E_D=0.0998 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="H", note=( "Table 2. Model 4 considering lattice pDOS coupled " @@ -28,7 +28,7 @@ D_0=1.383e-7 * u.m**2 * u.s**-1, E_D=0.111 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="D", note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", ) @@ -37,7 +37,7 @@ D_0=1.110e-7 * u.m**2 * u.s**-1, E_D=0.110 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="D", note=( "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " @@ -49,7 +49,7 @@ D_0=1.204e-7 * u.m**2 * u.s**-1, E_D=0.114 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="T", note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", ) @@ -58,7 +58,7 @@ D_0=9.539e-8 * u.m**2 * u.s**-1, E_D=0.114 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="T", note=( "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " diff --git a/h_transport_materials/property_database/iron.py b/h_transport_materials/property_database/iron.py index cd3a7308..74821572 100644 --- a/h_transport_materials/property_database/iron.py +++ b/h_transport_materials/property_database/iron.py @@ -128,7 +128,7 @@ D_0=1.458e-7 * u.m**2 * u.s**-1, E_D=0.0817 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="H", note="Table 2. Model 1 considering only hydrogen isotope vibrations", ) @@ -137,7 +137,7 @@ D_0=1.076e-7 * u.m**2 * u.s**-1, E_D=0.0734 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="H", note=( "Table 2. Model 4 considering lattice pDOS coupled " @@ -149,7 +149,7 @@ D_0=1.143e-7 * u.m**2 * u.s**-1, E_D=0.0874 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="D", note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", ) @@ -158,7 +158,7 @@ D_0=8.482e-8 * u.m**2 * u.s**-1, E_D=0.0810 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="D", note=( "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " @@ -170,7 +170,7 @@ D_0=9.754e-8 * u.m**2 * u.s**-1, E_D=0.0889 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="T", note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", ) @@ -179,7 +179,7 @@ D_0=7.190e-8 * u.m**2 * u.s**-1, E_D=0.0833 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="T", note=( "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " diff --git a/h_transport_materials/property_database/tungsten/tungsten.py b/h_transport_materials/property_database/tungsten/tungsten.py index 28cc89c7..c559647a 100644 --- a/h_transport_materials/property_database/tungsten/tungsten.py +++ b/h_transport_materials/property_database/tungsten/tungsten.py @@ -492,7 +492,7 @@ D_0=1.934e-7 * u.m**2 * u.s**-1, E_D=0.201 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="H", note="Table 2. Model 1 considering only hydrogen isotope vibrations", ) @@ -501,7 +501,7 @@ D_0=1.876e-7 * u.m**2 * u.s**-1, E_D=0.201 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="H", note=( "Table 2. Model 4 considering lattice pDOS coupled " @@ -513,7 +513,7 @@ D_0=1.509e-7 * u.m**2 * u.s**-1, E_D=0.206 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="D", note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", ) @@ -522,7 +522,7 @@ D_0=1.460e-7 * u.m**2 * u.s**-1, E_D=0.206 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="D", note=( "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " @@ -534,7 +534,7 @@ D_0=1.270e-7 * u.m**2 * u.s**-1, E_D=0.207 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="T", note="Table S2 of suplementary materials. Model 1 considering only hydrogen isotope vibrations", ) @@ -543,7 +543,7 @@ D_0=1.226e-7 * u.m**2 * u.s**-1, E_D=0.207 * u.eV * u.particle**-1, range=(297 * u.K, 1000 * u.K), - source="zhou_hydrogen_isotopes_2024", + source="zhou_thermal_2024", isotope="T", note=( "Table S2 of suplementary materials. Model 4 considering lattice pDOS coupled " diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index 180f44b7..e47bb022 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -2768,13 +2768,17 @@ @techreport{wille_hydrogen_1981 doi = {10.2172/6420120}, } -@article{zhou_hydrogen_isotopes_2024, - title={Thermal expansion, lattice vibration, and isotope effect on hydrogen diffusion in BCC Fe, Cr, and W from first-principles calculations}, - author={Zhou, Ziling and Nie, Rui and Wang, Yu and Guo, Jingni and Xie, Feng and Cao, Jianzhu and Wen, Yanwei and Shan, Bin}, - journal={The Journal of Chemical Physics}, - url = {https://pubs.aip.org/aip/jcp/article/160/18/184703/3290607/Thermal-expansion-lattice-vibration-and-isotope}, - volume={160}, - number={18}, - year={2024}, - publisher={AIP Publishing} +@article{zhou_thermal_2024, + title = {Thermal expansion, lattice vibration, and isotope effect on hydrogen diffusion in {BCC} {Fe}, {Cr}, and {W} from first-principles calculations}, + volume = {160}, + issn = {0021-9606}, + url = {https://doi.org/10.1063/5.0204192}, + doi = {10.1063/5.0204192}, + number = {18}, + urldate = {2024-10-09}, + journal = {The Journal of Chemical Physics}, + author = {Zhou, Ziling and Nie, Rui and Wang, Yu and Guo, Jingni and Xie, Feng and Cao, Jianzhu and Wen, Yanwei and Shan, Bin}, + month = may, + year = {2024}, + pages = {184703}, } \ No newline at end of file From 68294933111df37edd7214b2113278c5f575e446 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 4 Nov 2024 17:04:35 -0500 Subject: [PATCH 121/123] added aiello solubility --- .../eurofer_97/eurofer_97.py | 22 +++++++++++++++++++ 1 file changed, 22 insertions(+) diff --git a/h_transport_materials/property_database/eurofer_97/eurofer_97.py b/h_transport_materials/property_database/eurofer_97/eurofer_97.py index bdee4ab1..2f940348 100644 --- a/h_transport_materials/property_database/eurofer_97/eurofer_97.py +++ b/h_transport_materials/property_database/eurofer_97/eurofer_97.py @@ -23,6 +23,8 @@ note="in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", ) + + aiello_diffusivity_data = htm.structure_data_from_wpd("aiello_2002/diffusivity.csv") aiello_diffusivity_H = Diffusivity( @@ -42,6 +44,24 @@ note="in the paper, only the 3 hottest points are fitted to measure lattice diffusion only", ) +aiello_solubility_D = Solubility( + S_0=aiello_permeability_D.pre_exp/aiello_diffusivity_D.pre_exp, + E_S=aiello_permeability_D.act_energy - aiello_diffusivity_D.act_energy, + range=aiello_permeability_D.range, + source="aiello_hydrogen_2002", + isotope="D", + note="there is a typo in Eq 2 of the paper. This property is obtained by dividing the permeability by the diffusivity.", +) + +aiello_solubility_H = Solubility( + S_0=aiello_permeability_H.pre_exp/aiello_diffusivity_H.pre_exp, + E_S=aiello_permeability_H.act_energy - aiello_diffusivity_H.act_energy, + range=aiello_permeability_H.range, + source="aiello_hydrogen_2002", + isotope="H", + note="there is a typo in Eq 2 of the paper. This property is obtained by dividing the permeability by the diffusivity.", +) + chen_permeability_data = np.genfromtxt( htm.absolute_path("chen_2021/permeability.csv"), delimiter=",", @@ -163,6 +183,8 @@ aiello_permeability_D, aiello_diffusivity_H, aiello_diffusivity_D, + aiello_solubility_H, + aiello_solubility_D, chen_permeability, chen_diffusivity, chen_solubility, From 162e1fc16db904fa184498ea153e7981d488792f Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Mon, 4 Nov 2024 17:05:05 -0500 Subject: [PATCH 122/123] no Eq 2 for H --- .../property_database/eurofer_97/eurofer_97.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/h_transport_materials/property_database/eurofer_97/eurofer_97.py b/h_transport_materials/property_database/eurofer_97/eurofer_97.py index 2f940348..39ec6dc5 100644 --- a/h_transport_materials/property_database/eurofer_97/eurofer_97.py +++ b/h_transport_materials/property_database/eurofer_97/eurofer_97.py @@ -59,7 +59,7 @@ range=aiello_permeability_H.range, source="aiello_hydrogen_2002", isotope="H", - note="there is a typo in Eq 2 of the paper. This property is obtained by dividing the permeability by the diffusivity.", + note="This property is obtained by dividing the permeability by the diffusivity.", ) chen_permeability_data = np.genfromtxt( From bca9e4d001f94d3764085a7563bddbcfc656c3bf Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Sat, 9 Nov 2024 12:33:34 -0500 Subject: [PATCH 123/123] removed all file entries --- h_transport_materials/references.bib | 336 +++++++++------------------ 1 file changed, 109 insertions(+), 227 deletions(-) diff --git a/h_transport_materials/references.bib b/h_transport_materials/references.bib index e47bb022..e53eade7 100644 --- a/h_transport_materials/references.bib +++ b/h_transport_materials/references.bib @@ -16,7 +16,6 @@ @incollection{causey_416_2012 doi = {10.1016/B978-0-08-056033-5.00116-6}, keywords = {Hydrogen, Barriers, Carbides, Deuterium, Diffusion, First wall materials, Fusion, Metals, Nitrides, Oxides, Permeation, Recombination, Solubility, Structural materials, Tritium}, pages = {511--549}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\QFUEQZ2R\\Causey et al. - 2012 - 4.16 - Tritium Barriers and Tritium Diffusion in F.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\Z3AYIJMQ\\B9780080560335001166.html:text/html}, } @article{zhang_diffusion_2020, @@ -35,7 +34,6 @@ @article{zhang_diffusion_2020 \_eprint: https://doi.org/10.1080/15361055.2020.1725368}, keywords = {fluoride salt, Hastelloy N alloy, permeation, surface oxidation}, pages = {543--552}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\L47DVY64\\Zhang et al. - 2020 - Diffusion Characterization of Hydrogen Isotopes in.pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\M5GTWE8E\\15361055.2020.html:text/html}, } @article{anderl_deuteriumtritium_2004, @@ -52,7 +50,6 @@ @article{anderl_deuteriumtritium_2004 author = {Anderl, R. A and Fukada, S and Smolik, G. R and Pawelko, R. J and Schuetz, S. T and Sharpe, J. P and Merrill, B. J and Petti, D. A and Nishimura, H and Terai, T and Tanaka, S}, year = {2004}, pages = {1327--1331}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\57J3NPFW\\Anderl et al. - 2004 - Deuteriumtritium behavior in Flibe and Flibe-faci.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\GYW23JA4\\S0022311504003952.html:text/html}, } @article{rota_measurements_1982, @@ -76,7 +73,6 @@ @article{rota_measurements_1982 Dissociation coefficients   }, - file = {Rota et al. - 1982 - Measurements of surface and bulk properties for th.pdf:C\:\\Users\\remidm\\Zotero\\storage\\U62D5GXG\\Rota et al. - 1982 - Measurements of surface and bulk properties for th.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\EQ3BYI4K\\0022311582902148.html:text/html;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\2JNIGJ8S\\0022311582902148.html:text/html}, } @article{ishikawa_diffusivity_1986, @@ -98,7 +94,6 @@ @article{ishikawa_diffusivity_1986 month = jun, year = {1986}, pages = {1091--1095}, - file = {Ishikawa et McLellan - 1986 - The diffusivity of hydrogen in aluminum.pdf:C\:\\Users\\remidm\\Zotero\\storage\\5FZ75BFB\\Ishikawa et McLellan - 1986 - The diffusivity of hydrogen in aluminum.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\REBNCUJ8\\0001616086902191.html:text/html}, } @article{serra_hydrogen_1998, @@ -115,7 +110,6 @@ @article{serra_hydrogen_1998 month = oct, year = {1998}, pages = {1028--1032}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\5LM85Y23\\S0022311598002761.html:text/html;Serra et Perujo - 1998 - Hydrogen and deuterium transport and inventory par.pdf:C\:\\Users\\remidm\\Zotero\\storage\\U6JFAQGI\\Serra et Perujo - 1998 - Hydrogen and deuterium transport and inventory par.pdf:application/pdf;Serra et Perujo - 1998 - Hydrogen and deuterium transport and inventory par.pdf:C\:\\Users\\remidm\\Zotero\\storage\\G96R346E\\Serra et Perujo - 1998 - Hydrogen and deuterium transport and inventory par.pdf:application/pdf}, } @article{anderl_hydrogen_1990, @@ -133,7 +127,6 @@ @article{anderl_hydrogen_1990 year = {1990}, keywords = {Experiment, Copper}, pages = {683--689}, - file = {Anderl et al. - 1990 - Hydrogen transport behavior of metal coatings for .pdf:C\:\\Users\\remidm\\Zotero\\storage\\9N46YH75\\Anderl et al. - 1990 - Hydrogen transport behavior of metal coatings for .pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\A94XN6LD\\0022311590901279.html:text/html}, } @article{penalva_interaction_2012, @@ -148,7 +141,6 @@ @article{penalva_interaction_2012 month = mar, year = {2012}, keywords = {Experiment, Copper}, - file = {Peñalva et al. - 2012 - Interaction of Copper Alloys with Hydrogen.pdf:C\:\\Users\\remidm\\Zotero\\storage\\585MS3D4\\Peñalva et al. - 2012 - Interaction of Copper Alloys with Hydrogen.pdf:application/pdf}, } @article{magnusson_self-diffusion_2013, @@ -181,7 +173,6 @@ @article{magnusson_self-diffusion_2013 year = {2013}, keywords = {Experiment, Copper}, pages = {33}, - file = {Magnusson et Frisk - Self-diffusion and impurity diffusion of hydrogen,.pdf:C\:\\Users\\remidm\\Zotero\\storage\\4NKYXHFM\\Magnusson et Frisk - Self-diffusion and impurity diffusion of hydrogen,.pdf:application/pdf}, } @article{anderl_deuterium_1992, @@ -215,8 +206,7 @@ @article{anderl_deuterium_1999 year = {1999}, keywords = {Experiment}, pages = {761--765}, - file = {Anderl et al. - 1999 - Deuterium transport in Cu, CuCrZr, and CuBe.pdf:C\:\\Users\\remidm\\Zotero\\storage\\WXFLBVUE\\Anderl et al. - 1999 - Deuterium transport in Cu, CuCrZr, and CuBe.pdf:application/pdf}, -} + } @article{frauenfelder_solution_1969, title = {Solution and {Diffusion} of {Hydrogen} in {Tungsten}}, @@ -248,8 +238,7 @@ @article{katz_diffusion_1971 year = {1971}, note = {Publisher: American Physical Society}, pages = {330--341}, - file = {APS Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\T5W5Q7MA\\PhysRevB.4.html:text/html;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\A74KDIFR\\4034502-diffusion-sub-sub-sub-single-crystal-ni-cu.html:text/html}, -} + } @article{lam_impact_2021, title = {The impact of hydrogen valence on its bonding and transport in molten fluoride salts}, @@ -304,8 +293,7 @@ @article{lam_impact_2021 In Flibe, H+ is mainly (50\%) present in the HF form.    }, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\HE2H5H4D\\Lam et al. - 2021 - The impact of hydrogen valence on its bonding and .pdf:application/pdf;Lam et al. - 2021 - The impact of hydrogen valence on its bonding and .pdf:C\:\\Users\\remidm\\Zotero\\storage\\YN7LXZJM\\Lam et al. - 2021 - The impact of hydrogen valence on its bonding and .pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\BV2BZKQY\\d0ta10576g.html:text/html;Supplementary Information PDF:C\:\\Users\\remidm\\Zotero\\storage\\UYDU9QAG\\Lam et al. - 2021 - The impact of hydrogen valence on its bonding and .pdf:application/pdf}, -} + } @article{liu_hydrogen_2014, series = {Proceedings of the 16th {International} {Conference} on {Fusion} {Reactor} {Materials} ({ICFRM}-16)}, @@ -325,8 +313,7 @@ @article{liu_hydrogen_2014 year = {2014}, keywords = {molecular dynamics}, pages = {676--680}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\XAHNCMLY\\S0022311514005911.html:text/html}, -} + } @article{zeng_behavior_2019, title = {Behavior characteristics of hydrogen and its isotope in molten salt of {LiF}-{NaF}-{KF} ({FLiNaK})}, @@ -351,8 +338,7 @@ @article{zeng_behavior_2019   CAREFUL THERE'S A MIXUP IN THE STUDIES }, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\DP9BZPFU\\Zeng et al. - 2019 - Behavior characteristics of hydrogen and its isoto.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\9VVKKZZR\\S1738573318301967.html:text/html}, -} + } @article{zeng_apparatus_2014, title = {Apparatus for determining permeability of hydrogen isotopes in molten-salt}, @@ -363,8 +349,7 @@ @article{zeng_apparatus_2014 author = {Zeng, Youshi and Sheng-Wei, Wu and Yuan, Qian and Guang-Hua, Wang and Lin, Du and Wei, Liu and Zheng-Hai, Xia}, month = aug, year = {2014}, - file = {You-Shi et al. - 2014 - Apparatus for determining permeability of hydrogen.pdf:C\:\\Users\\remidm\\Zotero\\storage\\BTWRJJGJ\\You-Shi et al. - 2014 - Apparatus for determining permeability of hydrogen.pdf:application/pdf}, -} + } @article{shibuya_isothermal_1987, title = {Isothermal release of tritium from neutron-irradiated {Li17Pb83}}, @@ -381,8 +366,7 @@ @article{shibuya_isothermal_1987 month = nov, year = {1987}, pages = {286--291}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\I4RSHXH4\\0022311587900067.html:text/html}, -} + } @article{sakamoto_electrochemical_1982, title = {The {Electrochemical} {Determination} of {Diffusivity} and {Solubility} of {Hydrogen} in {Copper}}, @@ -396,8 +380,7 @@ @article{sakamoto_electrochemical_1982 year = {1982}, keywords = {Experiment, Copper}, pages = {285--290}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\QG77JNDI\\Sakamoto et Takao - 1982 - The Electrochemical Determination of Diffusivity a.pdf:application/pdf;J-Stage - Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\CCJFTBT6\\en.html:text/html;Sakamoto et Takao - 1982 - The Electrochemical Determination of Diffusivity a.pdf:C\:\\Users\\remidm\\Zotero\\storage\\7YM46RCF\\Sakamoto et Takao - 1982 - The Electrochemical Determination of Diffusivity a.pdf:application/pdf}, -} + } @article{nakamura_hydrogen_2015, title = {Hydrogen isotopes permeation in a fluoride molten salt for nuclear fusion blanket}, @@ -406,8 +389,7 @@ @article{nakamura_hydrogen_2015 author = {Nakamura, Akira and Fukada, Satoshi and Nishiumi, Ryosuke}, year = {2015}, pages = {5}, - file = {Nakamura et al. - Hydrogen isotopes permeation in a fluoride molten .pdf:C\:\\Users\\remidm\\Zotero\\storage\\RN3G2BNI\\Nakamura et al. - Hydrogen isotopes permeation in a fluoride molten .pdf:application/pdf;Nakamura et al. - Hydrogen isotopes permeation in a fluoride molten .pdf:C\:\\Users\\remidm\\Zotero\\storage\\BKLAAYU5\\Nakamura et al. - Hydrogen isotopes permeation in a fluoride molten .pdf:application/pdf}, -} + } @article{johnson_hydrogen_2010, title = {Hydrogen in tungsten: {Absorption}, diffusion, vacancy trapping, and decohesion}, @@ -425,8 +407,7 @@ @article{johnson_hydrogen_2010 month = feb, year = {2010}, pages = {315--327}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\3MUCZVIK\\Johnson et Carter - 2010 - Hydrogen in tungsten Absorption, diffusion, vacan.pdf:application/pdf}, -} + } @article{holzner_solute_2020, title = {Solute diffusion of hydrogen isotopes in tungsten—a gas loading experiment}, @@ -443,8 +424,7 @@ @article{holzner_solute_2020 year = {2020}, note = {Publisher: IOP Publishing}, pages = {014034}, - file = {Version soumise:C\:\\Users\\remidm\\Zotero\\storage\\Q8RAWZVY\\Holzner et al. - 2020 - Solute diffusion of hydrogen isotopes in tungsten—.pdf:application/pdf}, -} + } @article{fukada_hydrogen_2006, title = {Hydrogen permeability through a mixed molten salt of {LiF}, {NaF} and {KF} ({Flinak}) as a heat-transfer fluid}, @@ -461,8 +441,7 @@ @article{fukada_hydrogen_2006 month = nov, year = {2006}, pages = {235--242}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\I28NCMQV\\Fukada et Morisaki - 2006 - Hydrogen permeability through a mixed molten salt .pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\PLDNDRA6\\S0022311506004089.html:text/html}, -} + } @article{fernandez_hydrogen_2015, title = {Hydrogen diffusion and vacancies formation in tungsten: {Density} {Functional} {Theory} calculations and statistical models}, @@ -479,8 +458,7 @@ @article{fernandez_hydrogen_2015 year = {2015}, keywords = {Tungsten, Density Functional Theory, Hydrogen, DFT, Vacancies, Nuclear material}, pages = {307--318}, - file = {Fernandez et al. - 2015 - Hydrogen diffusion and vacancies formation in tung.pdf:C\:\\Users\\remidm\\Zotero\\storage\\UIPYD8RG\\Fernandez et al. - 2015 - Hydrogen diffusion and vacancies formation in tung.pdf:application/pdf;ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\ICC5AYHS\\Fernandez et al. - 2015 - Hydrogen diffusion and vacancies formation in tung.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\VQBUYKST\\S1359645415003043.html:text/html}, -} + } @article{alberro_experimental_2015, series = {Proceedings of the 28th {Symposium} {On} {Fusion} {Technology} ({SOFT}-28)}, @@ -498,8 +476,7 @@ @article{alberro_experimental_2015 year = {2015}, keywords = {Breeding blanket, Diffusivity, Experimental values, Sieverts’ constant, Tritium extraction}, pages = {1919--1923}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\5N96XEXM\\S0920379615300119.html:text/html}, -} + } @article{katsuta_hydrogen_1985, title = {Hydrogen solubility in liquid {Li17Pb83}}, @@ -515,8 +492,7 @@ @article{katsuta_hydrogen_1985 month = aug, year = {1985}, pages = {167--170}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\LZFE5J2V\\0022311585901278.html:text/html}, -} + } @article{wampler_precipitation_1976, title = {Precipitation and trapping of hydrogen in copper}, @@ -533,8 +509,7 @@ @article{wampler_precipitation_1976 month = jul, year = {1976}, pages = {129--141}, - file = {Wampler et al. - 1976 - Precipitation and trapping of hydrogen in copper.pdf:C\:\\Users\\remidm\\Zotero\\storage\\3W46JGMI\\Wampler et al. - 1976 - Precipitation and trapping of hydrogen in copper.pdf:application/pdf}, -} + } @article{thomas_solubility_1967, title = {Solubility of hydrogen in solid copper, silver, and gold obtained by a rapid quench and extraction technique}, @@ -562,8 +537,7 @@ @article{otsuka_behavior_2010 year = {2010}, keywords = {Surface, Trapping, Diffusion, Tritium, Release}, pages = {1437--1441}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\CQC4Y7VF\\S0920379610001341.html:text/html;Texte intégral:C\:\\Users\\remidm\\Zotero\\storage\\YI9V6GF6\\Otsuka et Tanabe - 2010 - Behavior of tritium accumulated on materials surfa.pdf:application/pdf}, -} + } @article{eichenauer_notitle_1965, volume = {56}, @@ -588,8 +562,7 @@ @article{tanabe_hydrogen_1987 year = {1987}, keywords = {deuterium, aluminum, copper, diffusion, ion driven permeation, nickel, permeation spike}, pages = {305--308}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\I382FP3L\\0022311587903497.html:text/html}, -} + } @article{perkins_permeation_1973, title = {Permeation and {Outgassing} of {Vacuum} {Materials}}, @@ -630,8 +603,7 @@ @article{esteban_hydrogen_2001 month = may, year = {2001}, pages = {49--56}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\GLH8I96U\\S002231150100486X.html:text/html}, -} + } @article{ryabchikov_notitle_1964, volume = {9}, @@ -656,8 +628,7 @@ @article{zakharov_hydrogen_1975 year = {1975}, keywords = {Tungsten, Hydrogen, Hydrogen Permeability, Molybdenum, Permeability}, pages = {149--153}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\4A7NUX6Q\\Zakharov et al. - 1975 - Hydrogen permeability of polycrystalline and monoc.pdf:application/pdf}, -} + } @article{heinola_diffusion_2010, title = {Diffusion of hydrogen in bcc tungsten studied with first principle calculations}, @@ -690,8 +661,7 @@ @article{terai_diffusion_1992 month = may, year = {1992}, pages = {247--253}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\KBJJATFP\\002231159290504E.html:text/html}, -} + } @article{aiello_determination_2006, series = {Proceedings of the {Seventh} {International} {Symposium} on {Fusion} {Nuclear} {Technology}}, @@ -710,8 +680,7 @@ @article{aiello_determination_2006 year = {2006}, keywords = {Solubility, Lead lithium}, pages = {639--644}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\S9UCXU68\\S092037960500565X.html:text/html}, -} + } @article{reiter_solubility_1991, title = {Solubility and diffusivity of hydrogen isotopes in liquid {Pb}{17Li}}, @@ -728,8 +697,7 @@ @article{reiter_solubility_1991 month = apr, year = {1991}, pages = {207--211}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\MC67H7US\\0920379691900039.html:text/html}, -} + } @article{schumacher_hydrogen_1990, title = {Hydrogen {Solubility} in the {Liquid} {Alloys} {Lithium}-{Indium}, {Lithium}-{Lead}, and {Lithium}-{Tin}}, @@ -747,8 +715,7 @@ @article{schumacher_hydrogen_1990 note = {\_eprint: https://onlinelibrary.wiley.com/doi/pdf/10.1002/bbpc.19900940612}, keywords = {Alloys, Gases in Metals, Hydrogen in Metals, Liquid Metals, Thermodynamics}, pages = {684--691}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\EJTH36EF\\Schumacher et Weiss - 1990 - Hydrogen Solubility in the Liquid Alloys Lithium-I.pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\85T3FWBR\\bbpc.html:text/html}, -} + } @article{fauvet_hydrogen_1988, title = {Hydrogen behaviour in liquid {17Li83Pb} alloy}, @@ -764,8 +731,7 @@ @article{fauvet_hydrogen_1988 month = jul, year = {1988}, pages = {516--519}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7JFYMFR2\\0022311588903017.html:text/html}, -} + } @article{chan_thermodynamic_1984, title = {A thermodynamic investigation of dilute solutions of hydrogen in liquid {Li}-{Pb} alloys}, @@ -782,8 +748,7 @@ @article{chan_thermodynamic_1984 month = may, year = {1984}, pages = {935--940}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\TLTFTVBK\\0022311584901983.html:text/html}, -} + } @article{wu_solubility_1983, title = {The solubility of deuterium in lithium-lead alloys}, @@ -800,8 +765,7 @@ @article{wu_solubility_1983 month = feb, year = {1983}, pages = {30--33}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\CER32GRB\\0022311583900697.html:text/html}, -} + } @article{noh_hydrogen-isotope_2016, title = {Hydrogen-isotope transport in an {ELBRODUR} {G} {CuCrZr} alloy for nuclear applications in heat sinks}, @@ -817,8 +781,7 @@ @article{noh_hydrogen-isotope_2016 month = may, year = {2016}, pages = {112--118}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\9W78RIEQ\\S0022311516300319.html:text/html}, -} + } @article{malinauskas_solubilities_1974, title = {The {Solubilities} of {Hydrogen}, {Deuterium}, and {Helium} in {Molten} {Li2BeF4}}, @@ -834,8 +797,7 @@ @article{malinauskas_solubilities_1974 year = {1974}, note = {Publisher: American Chemical Society}, pages = {242--245}, - file = {ACS Full Text Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\6ESEMGR5\\i160051a015.html:text/html;Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\ZQ42LB5R\\Malinauskas et Richardson - 1974 - The Solubilities of Hydrogen, Deuterium, and Heliu.pdf:application/pdf}, -} + } @article{field_solubilities_1967, title = {The solubilities of hydrogen fluoride and deuterium fluoride in molten fluorides}, @@ -851,8 +813,7 @@ @article{field_solubilities_1967 year = {1967}, note = {Publisher: American Chemical Society}, pages = {3218--3222}, - file = {ACS Full Text Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\I8ENZY4H\\j100869a013.html:text/html;Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\TE6UQEJF\\Field et Shaffer - 1967 - The solubilities of hydrogen fluoride and deuteriu.pdf:application/pdf}, -} + } @article{oishi_tritium_1989, title = {Tritium recovery from molten {LiF}-{BeF2} salt}, @@ -868,8 +829,7 @@ @article{oishi_tritium_1989 month = jan, year = {1989}, pages = {317--321}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\I596U36T\\Oishi et al. - 1989 - Tritium recovery from molten LiF-BeF2 salt.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\ZSS9GTTN\\S0920379689801243.html:text/html}, -} + } @article{houben_comparison_2022, title = {Comparison of the deuterium permeability of copper, {CuCrZr}, and {Cu} layers}, @@ -886,8 +846,7 @@ @article{houben_comparison_2022 year = {2022}, keywords = {Microstructure, Cu and Cu layers, CuCrZr - ITER grade, Gas-driven deuterium permeation, Interface, Magnetron sputter deposition}, pages = {101256}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\VCNHC9BY\\Houben et al. - 2022 - Comparison of the deuterium permeability of copper.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\89TIUTYS\\S2352179122001375.html:text/html}, -} + } @article{serra_hydrogen_1998-1, title = {Hydrogen isotopes transport parameters in fusion reactor materials}, @@ -904,8 +863,7 @@ @article{serra_hydrogen_1998-1 month = jun, year = {1998}, pages = {105--115}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\769KF72I\\S0022311598000385.html:text/html}, -} + } @article{kulsartov_investigation_2006, series = {Proceedings of the {Seventh} {International} {Symposium} on {Fusion} {Nuclear} {Technology}}, @@ -924,8 +882,7 @@ @article{kulsartov_investigation_2006 year = {2006}, keywords = {Hydrogen, Deuterium, Permeability, Ceramic coating, F82H, Permeation reduction factor}, pages = {701--705}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\2HV796SF\\Kulsartov et al. - 2006 - Investigation of hydrogen isotope permeation throu.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\MUQG763S\\S0920379605005740.html:text/html}, -} + } @article{dolinski_heavy_2000, series = {9th {Int}. {Conf}. on {Fusion} {Reactor} {Materials}}, @@ -942,8 +899,7 @@ @article{dolinski_heavy_2000 month = dec, year = {2000}, pages = {854--857}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\9T7CGTYS\\S0022311500003147.html:text/html}, -} + } @article{esteban_tritium_2000, title = {Tritium diffusive transport parameters and trapping effects in the reduced activating martensitic steel {OPTIFER}-{IVb}}, @@ -960,8 +916,7 @@ @article{esteban_tritium_2000 month = sep, year = {2000}, pages = {34--41}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\V5JDMR7M\\S0022311500001884.html:text/html}, -} + } @article{pisarev_surface_2001, title = {Surface effects in diffusion measurements: deuterium permeation through {Martensitic} steel}, @@ -979,8 +934,7 @@ @article{pisarev_surface_2001 year = {2001}, note = {Publisher: IOP Publishing}, pages = {121}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\CHW68CXI\\Pisarev et al. - 2001 - Surface effects in diffusion measurements deuteri.pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\ZUFWMF2Z\\meta.html:text/html}, -} + } @article{serra_influence_1997, title = {Influence of traps on the deuterium behaviour in the low activation martensitic steels {F82H} and {Batman}}, @@ -997,8 +951,7 @@ @article{serra_influence_1997 month = jun, year = {1997}, pages = {108--114}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7KW2DPF5\\S0022311597000214.html:text/html}, -} + } @article{forcey_hydrogen_1988, title = {Hydrogen transport and solubility in {316L} and 1.4914 steels for fusion reactor applications}, @@ -1015,8 +968,7 @@ @article{forcey_hydrogen_1988 month = dec, year = {1988}, pages = {117--124}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\SPUNKGDX\\Forcey et al. - 1988 - Hydrogen transport and solubility in 316L and 1.49.pdf:application/pdf;ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\HMTU5HM5\\Forcey et al. - 1988 - Hydrogen transport and solubility in 316L and 1.49.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\UGNR487U\\0022311588900384.html:text/html}, -} + } @article{serra_hydrogen_1998-2, title = {Hydrogen and deuterium in {Pd}-25 pct {Ag} alloy: {Permeation}, diffusion, solubilization, and surface reaction}, @@ -1035,8 +987,7 @@ @article{serra_hydrogen_1998-2 year = {1998}, keywords = {Deuterium, Material Transaction, Permeation Rate, Pressure Rise, Pressure Side}, pages = {1023--1028}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\2USK588H\\Serra et al. - 1998 - Hydrogen and deuterium in Pd-25 pct Ag alloy Perm.pdf:application/pdf}, -} + } @article{klepikov_hydrogen_2000, title = {Hydrogen release from irradiated vanadium alloy {V}–{4Cr}–{4Ti}}, @@ -1053,8 +1004,7 @@ @article{klepikov_hydrogen_2000 year = {2000}, keywords = {Hydrogen retention and release, Irradiated materials, Vanadium alloys}, pages = {127--133}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\32YM8ET9\\S0920379600003057.html:text/html;Version soumise:C\:\\Users\\remidm\\Zotero\\storage\\MG5D63LI\\Klepikov et al. - 2000 - Hydrogen release from irradiated vanadium alloy V–.pdf:application/pdf}, -} + } @article{hashizume_diffusional_2007, title = {Diffusional behavior of tritium in {V}-{4Cr}-{4Ti} alloy}, @@ -1071,8 +1021,7 @@ @article{hashizume_diffusional_2007 year = {2007}, pages = {876--881}, annote = {Funding Information:This work has been conducted with the support of the NIFS LHD Project Research Collaboration and partly through a Grand-in-Aid for Scientific Research (A, 17206092) from the Ministry of Education, Culture, Sports, Science and Technology of the Japanese Government.}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\5HCZUUUQ\\Hashizume et al. - 2007 - Diffusional behavior of tritium in V–4Cr–4Ti alloy.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\M23X3NT3\\S002231150700503X.html:text/html}, -} + } @article{schmidt_studies_1985, title = {Studies on the permeation of {Hydrogen} and {Tritium} through heat resistant alloys}, @@ -1089,8 +1038,7 @@ @article{schmidt_studies_1985 month = apr, year = {1985}, pages = {247--260}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\9U9GSQWK\\Schmidt et al. - 1985 - Studies on the permeation of Hydrogen and Tritium .pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\B365SH3G\\0022311585904611.html:text/html}, -} + } @article{gervasini_solubility_1984, title = {Solubility and {Diffusivity} {Measurements} of {Protium} and {Deuterium} in {Inconel} 625}, @@ -1125,8 +1073,7 @@ @article{kishimoto_hydrogen_1985 month = jan, year = {1985}, pages = {1--9}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\6FMGXSNS\\Kishimoto et al. - 1985 - Hydrogen diffusion and solution at high temperatur.pdf:application/pdf;ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\5DI8UBQF\\Kishimoto et al. - 1985 - Hydrogen diffusion and solution at high temperatur.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\DKWY2Q4M\\002231158590056X.html:text/html}, -} + } @article{perng_effects_1986, title = {Effects of deformation on hydrogen permeation in austenitic stainless steels}, @@ -1147,8 +1094,7 @@ @article{perng_effects_1986 month = sep, year = {1986}, pages = {1771--1781}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\L8R2N66A\\Tsong-Pyng et Altstetter - 1986 - Effects of deformation on hydrogen permeation in a.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\N52457SJ\\0001616086901239.html:text/html}, -} + } @article{alire_transport_1976, title = {Transport of hydrogen in liquid lithium}, @@ -1166,8 +1112,7 @@ @article{alire_transport_1976 note = {Place: United States INIS Reference Number: 8286385}, pages = {1134--1137}, - file = {Alire - 1976 - Transport of hydrogen in liquid lithium.pdf:C\:\\Users\\remidm\\Zotero\\storage\\XKK3TMXM\\Alire - 1976 - Transport of hydrogen in liquid lithium.pdf:application/pdf}, -} + } @article{eichenauer_messung_1962, title = {Messung der {Diffusionsgeschwindigkeit} von {Wasserstoff} in {Gold}}, @@ -1176,8 +1121,7 @@ @article{eichenauer_messung_1962 author = {Eichenauer, W. and Liebscher, Dagmar}, year = {1962}, pages = {355}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\9HGUTQTX\\Eichenauer et Liebscher - 1962 - Notizen Messung der Diffusionsgeschwindigkeit von.pdf:application/pdf;ZNA-1962-17a-0357_n.pdf:C\:\\Users\\remidm\\Zotero\\storage\\TN42QEPA\\ZNA-1962-17a-0357_n.pdf:application/pdf}, -} + } @techreport{dolan_assessment_1994, title = {Assessment of database for interaction of tritium with {ITER} plasma facing materials}, @@ -1190,8 +1134,7 @@ @techreport{dolan_assessment_1994 year = {1994}, doi = {10.2172/10191406}, pages = {EGG--FSP--11348, 10191406}, - file = {Dolan et Anderl - 1994 - Assessment of database for interaction of tritium .pdf:C\:\\Users\\remidm\\Zotero\\storage\\QEFG3RDK\\Dolan et Anderl - 1994 - Assessment of database for interaction of tritium .pdf:application/pdf;Dolan et Anderl - 1994 - Assessment of database for interaction of tritium .pdf:C\:\\Users\\remidm\\Zotero\\storage\\A4ED7EDZ\\Dolan et Anderl - 1994 - Assessment of database for interaction of tritium .pdf:application/pdf;Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\MQVQFBUH\\Dolan et Anderl - 1994 - Assessment of database for interaction of tritium .pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\9SKIYWB3\\webviewable.html:text/html}, -} + } @article{mclellan_solid_1973, title = {Solid solutions of hydrogen in gold, silver and copper}, @@ -1208,8 +1151,7 @@ @article{mclellan_solid_1973 month = jun, year = {1973}, pages = {1137--1141}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\Q6KRJBD7\\McLellan - 1973 - Solid solutions of hydrogen in gold, silver and co.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\WQY9E8JH\\S0022369773800228.html:text/html}, -} + } @article{katsuta_diffusivity_1979, title = {Diffusivity of hydrogen in silver}, @@ -1233,8 +1175,7 @@ @article{katsuta_diffusivity_1979 month = jan, year = {1979}, pages = {65--66}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\5WU8A5ES\\Katsuta et B. McLellan - 1979 - Diffusivity of hydrogen in silver.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\8UU99P9N\\0036974879903910.html:text/html}, -} + } @techreport{favreau_solubility_1954, title = {{THE} {SOLUBILITY} {OF} {HYDROGEN} {AND} {TRITIUM} {IN} {PALLADIUM} {BLACK}}, @@ -1248,8 +1189,7 @@ @techreport{favreau_solubility_1954 month = apr, year = {1954}, doi = {10.2172/4413386}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\NWSKLJ9R\\Favreau et al. - 1954 - THE SOLUBILITY OF HYDROGEN AND TRITIUM IN PALLADIU.pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\AX8VG732\\4413386.html:text/html}, -} + } @article{katsuta_diffusivity_1982, title = {Diffusivity and permeability of hydrogen in molybdenum}, @@ -1266,8 +1206,7 @@ @article{katsuta_diffusivity_1982 month = jan, year = {1982}, pages = {533--538}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\D3XAI4RU\\Katsuta et al. - 1982 - Diffusivity and permeability of hydrogen in molybd.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\3RA4RNNH\\0022369782901044.html:text/html}, -} + } @article{tanabe_hydrogen_1992, series = {Fusion {Reactor} {Materials} {Part} {A}}, @@ -1284,8 +1223,7 @@ @article{tanabe_hydrogen_1992 month = sep, year = {1992}, pages = {439--443}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\8GES77TE\\Tanabe et al. - 1992 - Hydrogen permeation and diffusion in molybdenum.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\EAJYFGBL\\S0022311509800834.html:text/html}, -} + } @article{yamanaka_effect_1989, title = {Effect of {Oxygen} on {Hydrogen} solubility in {Zirconium}}, @@ -1301,8 +1239,7 @@ @article{yamanaka_effect_1989 month = sep, year = {1989}, pages = {231--237}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\T9RBW4J7\\Yamanaka et al. - 1989 - Effect of Oxygen on Hydrogen solubility in Zirconi.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\RPEPKRBJ\\0022311589904467.html:text/html}, -} + } @article{hsu_palladium-catalyzed_1986, title = {Palladium-catalyzed oxidative diffusion for tritium extraction from breeder-blanket fluids at low concentrations}, @@ -1318,8 +1255,7 @@ @article{hsu_palladium-catalyzed_1986 month = nov, year = {1986}, pages = {238--243}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\8E4H5P3Q\\Hsu et Buxbaum - 1986 - Palladium-catalyzed oxidative diffusion for tritiu.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\WVZ8P7Q9\\S0022311586800435.html:text/html}, -} + } @article{kearns_diffusion_1972, title = {Diffusion coefficient of hydrogen in alpha zirconium, {Zircaloy}-2 and {Zircaloy}-4}, @@ -1340,8 +1276,7 @@ @article{kearns_diffusion_1972 month = jun, year = {1972}, pages = {330--338}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\U5W8GR3D\\Kearns - 1972 - Diffusion coefficient of hydrogen in alpha zirconi.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\4Y7YEKX2\\0022311572900657.html:text/html}, -} + } @article{kearns_terminal_1967, title = {Terminal solubility and partitioning of hydrogen in the alpha phase of zirconium, {Zircaloy}-2 and {Zircaloy}-4}, @@ -1362,8 +1297,7 @@ @article{kearns_terminal_1967 month = jun, year = {1967}, pages = {292--303}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\GCQWLADW\\Kearns - 1967 - Terminal solubility and partitioning of hydrogen i.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7PDWTV5V\\0022311567900475.html:text/html}, -} + } @article{qi_tritium_1983, doi = {10.1088/0305-4608/13/10/015}, @@ -1399,8 +1333,7 @@ @article{louthan_hydrogen_1975 month = jun, year = {1975}, pages = {745--749}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\XSV77L8G\\Louthan et al. - 1975 - Hydrogen diffusion and trapping in nickel.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\R6PEBMVG\\0001616075900577.html:text/html}, -} + } @article{tahara_measurements_1985, title = {Measurements of {Permeation} of {Hydrogen} {Isotopes} through α-{Iron} by {Pressure} {Modulation} and {Ion} {Bombarding}}, @@ -1413,8 +1346,7 @@ @article{tahara_measurements_1985 year = {1985}, keywords = {permeation, deuterium, alpha-iron, diffusion coefficient, hydrogen, isotope effect, pressure moduration method}, pages = {869--875}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\MYQBKSB3\\Tahara et Hayashi - 1985 - Measurements of Permeation of Hydrogen Isotopes th.pdf:application/pdf;J-Stage - Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\IIKYGV2W\\_article.html:text/html}, -} + } @article{eichenauer_diffusion_1958, title = {Diffusion und {Löslichkeit} von {Wasserstoff} in a-{Eisen} und {Silber}}, @@ -1448,8 +1380,7 @@ @article{veleckis_thermodynamic_1969 month = mar, year = {1969}, pages = {683--692}, - file = {Veleckis et Edwards - 1969 - Thermodynamic properties in the systems vanadium-h.pdf:C\:\\Users\\remidm\\Zotero\\storage\\LBQYVX2U\\Veleckis et Edwards - 1969 - Thermodynamic properties in the systems vanadium-h.pdf:application/pdf}, -} + } @incollection{volkl_5_1975, title = {5 - {Hydrogen} {Diffusion} in {Metals}}, @@ -1465,8 +1396,7 @@ @incollection{volkl_5_1975 year = {1975}, doi = {10.1016/B978-0-12-522660-8.50010-6}, pages = {231--302}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\QV79TZ5F\\B9780125226608500106.html:text/html}, -} + } @article{young_diffusion_1998, title = {The diffusion and trapping of hydrogen in high purity aluminum}, @@ -1487,8 +1417,7 @@ @article{young_diffusion_1998 month = nov, year = {1998}, pages = {6337--6349}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\ARBAIVV8\\S1359645498003334.html:text/html}, -} + } @article{atsumi_absorption_1988, title = {Absorption and desorption of deuterium on graphite at elevated temperatures}, @@ -1503,8 +1432,7 @@ @article{atsumi_absorption_1988 month = jul, year = {1988}, pages = {241--245}, - file = {Atsumi et al. - 1988 - Absorption and desorption of deuterium on graphite.pdf:C\:\\Users\\remidm\\Zotero\\storage\\C8FE7MBK\\Atsumi et al. - 1988 - Absorption and desorption of deuterium on graphite.pdf:application/pdf}, -} + } @article{causey_interaction_1989, title = {The interaction of tritium with graphite and its impact on tokamak operations}, @@ -1519,8 +1447,7 @@ @article{causey_interaction_1989 month = apr, year = {1989}, pages = {151--161}, - file = {Causey - 1989 - The interaction of tritium with graphite and its i.pdf:C\:\\Users\\remidm\\Zotero\\storage\\ZIU4I73B\\Causey - 1989 - The interaction of tritium with graphite and its i.pdf:application/pdf}, -} + } @misc{noauthor_pii_nodate, title = {{PII}: 0022-3115(89)90265-1 {\textbar} {Elsevier} {Enhanced} {Reader}}, @@ -1555,8 +1482,7 @@ @article{jones_hydrogen_1967 month = mar, year = {1967}, pages = {353--354}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\UN5EC9MW\\Jones et Gibson - 1967 - Hydrogen in beryllium.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\D7K5CG7U\\0022311567901900.html:text/html}, -} + } @article{abramov_deuterium_1990, title = {Deuterium permeation and diffusion in high-purity beryllium}, @@ -1573,8 +1499,7 @@ @article{abramov_deuterium_1990 month = dec, year = {1990}, pages = {90--95}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\7V46C677\\Abramov et al. - 1990 - Deuterium permeation and diffusion in high-purity .pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\3BEIM8BJ\\002231159090274Q.html:text/html}, -} + } @article{veleckis_lithium-lithium_1974, title = {Lithium-lithium hydride system}, @@ -1590,8 +1515,7 @@ @article{veleckis_lithium-lithium_1974 year = {1974}, note = {Publisher: American Chemical Society}, pages = {1933--1940}, - file = {ACS Full Text Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\RXEKZ5N8\\j100612a013.html:text/html}, -} + } @incollection{shimada_608_2020, address = {Oxford}, @@ -1610,8 +1534,7 @@ @incollection{shimada_608_2020 doi = {10.1016/B978-0-12-803581-8.11754-0}, keywords = {Hydrogen, Deuterium, Diffusion, First wall materials, Permeation, Solubility, Structural materials, Tritium, Diffusivity, Permeability}, pages = {251--273}, - file = {3-s2.0-B9780128035818117540-main.pdf:C\:\\Users\\remidm\\Zotero\\storage\\NV8799KX\\3-s2.0-B9780128035818117540-main.pdf:application/pdf;ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\7QNDI6P9\\Shimada - 2020 - 6.08 - Tritium Transport in Fusion Reactor Materia.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\DPTUS76V\\B9780128035818117540.html:text/html}, -} + } @book{reiter_compilation_1996, title = {A compilation of tritium : {Material} interaction parameters in fusion reactor materials.}, @@ -1624,8 +1547,7 @@ @book{reiter_compilation_1996 month = jul, url = {https://op.europa.eu/en/publication-detail/-/publication/60f147a2-fdc8-49c8-8a87-7af6f09b0a61}, year = {1996}, - file = {Union - 1996 - A compilation of tritium Material interaction pa.pdf:C\:\\Users\\remidm\\Zotero\\storage\\B3DLFNWI\\Union - 1996 - A compilation of tritium Material interaction pa.pdf:application/pdf}, -} + } @article{calderoni_measurement_2008, title = {Measurement of tritium permeation in flibe ({2LiF}–{BeF2})}, @@ -1643,8 +1565,7 @@ @article{calderoni_measurement_2008 year = {2008}, keywords = {Fusion, Solubility, Tritium, Molten salt, Diffusivity}, pages = {1331--1334}, - file = {Calderoni et al. - 2008 - Measurement of tritium permeation in flibe (2LiF–B.pdf:C\:\\Users\\remidm\\Zotero\\storage\\Q8GBT577\\Calderoni et al. - 2008 - Measurement of tritium permeation in flibe (2LiF–B.pdf:application/pdf;ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\SN5FMKAY\\Calderoni et al. - 2008 - Measurement of tritium permeation in flibe (2LiF–B.pdf:application/pdf;ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\UZXSHIEW\\Calderoni et al. - 2008 - Measurement of tritium permeation in flibe (2LiF–B.pdf:application/pdf;ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\EVNUP6E2\\Calderoni et al. - 2008 - Measurement of tritium permeation in flibe (2LiF–B.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\LYH674HW\\S0920379608000926.html:text/html;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\Y6794MLA\\S0920379608000926.html:text/html}, -} + } @techreport{steward_review_1983, title = {Review of {Hydrogen} {Isotope} {Permeability} {Through} {Materials}}, @@ -1658,8 +1579,7 @@ @techreport{steward_review_1983 month = aug, year = {1983}, doi = {10.2172/5277693}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\AG8VII22\\Steward - 1983 - Review of Hydrogen Isotope Permeability Through Ma.pdf:application/pdf}, -} + } @techreport{webb_permeation_1965, title = {{PERMEATION} {OF} {HYDROGEN} {THROUGH} {METALS}}, @@ -1673,8 +1593,7 @@ @techreport{webb_permeation_1965 month = jul, year = {1965}, doi = {10.2172/4583045}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\GHWPCYKU\\Webb - 1965 - PERMEATION OF HYDROGEN THROUGH METALS.pdf:application/pdf}, -} + } @techreport{savage_snap-8_1965, title = {{SNAP}-8 {Corrosion} {Program} {Summary} {Report}}, @@ -1683,8 +1602,7 @@ @techreport{savage_snap-8_1965 urldate = {2023-01-13}, author = {Savage, H. W. and Compere, E. L. and Huntley, W. R. and Fleischer, B. and MacPherson, R. E. and Taboada, A.}, year = {1965}, - file = {19660007016.pdf:C\:\\Users\\remidm\\Zotero\\storage\\7IE5C75B\\19660007016.pdf:application/pdf}, -} + } @article{grant_hydrogen_1987, title = {Hydrogen in 304 steel: {Diffusion}, permeation and surface reaction}, @@ -1702,8 +1620,7 @@ @article{grant_hydrogen_1987 month = jul, year = {1987}, pages = {180--191}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\DXW5INFL\\Grant et al. - 1987 - Hydrogen in 304 steel Diffusion, permeation and s.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\FA62IDF3\\0022311587904764.html:text/html}, -} + } @article{esteban_diffusive_2002, title = {Diffusive transport parameters and surface rate constants of deuterium in {Incoloy} 800}, @@ -1720,8 +1637,7 @@ @article{esteban_diffusive_2002 month = jan, year = {2002}, pages = {1--6}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\DR3CN5LM\\Esteban et al. - 2002 - Diffusive transport parameters and surface rate co.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\K5G8G3Y9\\S0022311501007152.html:text/html}, -} + } @article{altunoglu_permeation_1991, title = {Permeation of hydrogen through nickel foils: surface reaction rates at low temperatures}, @@ -1738,8 +1654,7 @@ @article{altunoglu_permeation_1991 month = aug, year = {1991}, pages = {718--726}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\3UT6URT7\\Altunoglu et al. - 1991 - Permeation of hydrogen through nickel foils surfa.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\H8C72G4C\\002250889190195A.html:text/html}, -} + } @article{perujo_low_1996, title = {Low pressure tritium interaction with {Inconel} 625 and {AISI} 316 {L} stainless steel surfaces: an evaluation of the recombination and adsorption constants}, @@ -1757,8 +1672,7 @@ @article{perujo_low_1996 month = jun, year = {1996}, pages = {101--108}, - file = {Perujo et al. - 1996 - Low pressure tritium interaction with Inconel 625 .pdf:C\:\\Users\\remidm\\Zotero\\storage\\PSRLT8YT\\Perujo et al. - 1996 - Low pressure tritium interaction with Inconel 625 .pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7U9PAZWZ\\092037969400434X.html:text/html}, -} + } @article{nagasaki_ion-driven_1993, title = {Ion-driven permeation and surface recombination coefficient of deuterium for ion}, @@ -1775,8 +1689,7 @@ @article{nagasaki_ion-driven_1993 month = jul, year = {1993}, pages = {228--238}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\G8SLXBPF\\002231159390392C.html:text/html}, -} + } @article{edao_experiments_2011, series = {Proceedings of {ICFRM}-14}, @@ -1794,8 +1707,7 @@ @article{edao_experiments_2011 month = oct, year = {2011}, pages = {723--726}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\ID7BXANT\\Edao et al. - 2011 - Experiments of hydrogen isotope permeation, diffus.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\CM4YZSV4\\S0022311510009487.html:text/html}, -} + } @article{okitsu_analysis_2012, series = {Tenth {International} {Symposium} on {Fusion} {Nuclear} {Technology} ({ISFNT}-10)}, @@ -1814,8 +1726,7 @@ @article{okitsu_analysis_2012 year = {2012}, keywords = {Solubility, Diffusivity, Permeability, Liquid blanket, Isotope effects, Lead–lithium}, pages = {1324--1328}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\FPH2LKWX\\Okitsu et al. - 2012 - Analysis of diffusion and dissolution of two-compo.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\6P9JE23V\\S0920379612002074.html:text/html}, -} + } @article{edao_permeation_2011, title = {Permeation of {Two}-{Component} {Hydrogen} {Isotopes} in {Lithium}-{Lead} {Eutectic} {Alloy}}, @@ -1833,8 +1744,7 @@ @article{edao_permeation_2011 note = {Publisher: Taylor \& Francis \_eprint: https://doi.org/10.13182/FST60-1163}, pages = {1163--1166}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\7VCGNHEC\\Edao et al. - 2011 - Permeation of Two-Component Hydrogen Isotopes in L.pdf:application/pdf}, -} + } @article{xiukui_hydrogen_1989, title = {Hydrogen permeation behaviour in austenitic stainless steels}, @@ -1850,8 +1760,7 @@ @article{xiukui_hydrogen_1989 month = jul, year = {1989}, pages = {179--187}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\J2DDAM6D\\Xiukui et al. - 1989 - Hydrogen permeation behaviour in austenitic stainl.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\VBLWBRZD\\0921509389908575.html:text/html}, -} + } @article{lee_hydrogen_2011, title = {Hydrogen {Permeability}, {Diffusivity}, and {Solubility} of {SUS} {316L} {Stainless} {Steel} in the {Temperature} {Range} 400 to 800 {C} for {Fusion} {Reactor} {Applications}}, @@ -1868,8 +1777,7 @@ @article{lee_hydrogen_2011 year = {2011}, note = {Publisher: The Korean Physical Society}, pages = {3019--3023}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\IKM72TFG\\Lee et al. - 2011 - Hydrogen Permeability, Diffusivity, and Solubility.pdf:application/pdf}, -} + } @article{eichenauer_notitle_1961, volume = {52}, @@ -1894,8 +1802,7 @@ @article{cochran_permeability_1961 year = {1961}, note = {Publisher: IOP Publishing}, pages = {317}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\AJ8BPYAW\\Cochran - 1961 - The Permeability of Aluminum to Hydrogen.pdf:application/pdf}, -} + } @article{song_study_1997, title = {A study of hydrogen permeation in aluminum alloy treated by various oxidation processes}, @@ -1913,8 +1820,7 @@ @article{song_study_1997 year = {1997}, keywords = {66.30.J, pacs:28.52.F}, pages = {139--143}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\PWF6VTFT\\S0022311597001463.html:text/html}, -} + } @article{saitoh_hydrogen_1994, title = {Hydrogen diffusivity in aluminium measured by a glow discharge permeation method}, @@ -1931,8 +1837,7 @@ @article{saitoh_hydrogen_1994 month = jul, year = {1994}, pages = {2493--2498}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\YH72Y4BN\\Saitoh et al. - 1994 - Hydrogen diffusivity in aluminium measured by a gl.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\YVQG9R5D\\0956715194903298.html:text/html}, -} + } @article{hashimoto_hydrogen_1983, title = {Hydrogen diffusion in aluminium at high temperatures}, @@ -1949,8 +1854,7 @@ @article{hashimoto_hydrogen_1983 month = jun, year = {1983}, pages = {1157}, - file = {IOP Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\2RTB7R39\\Hashimoto and Kino - 1983 - Hydrogen diffusion in aluminium at high temperatur.pdf:application/pdf}, -} + } @article{ichimura_grain_1991, title = {Grain {Boundary} {Effect} on {Diffusion} of {Hydrogen} in {Pure} {Aluminum}}, @@ -1963,8 +1867,7 @@ @article{ichimura_grain_1991 year = {1991}, keywords = {aluminum, hydrogen, diffusivity, enhanced diffusion, grain boundary, solubility, trapping}, pages = {1109--1114}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\NEBBP679\\Ichimura et al. - 1991 - Grain Boundary Effect on Diffusion of Hydrogen in .pdf:application/pdf;J-Stage - Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\MDGU7WEX\\ja.html:text/html}, -} + } @article{outlaw_diffusion_1982, title = {Diffusion of hydrogen in pure large grain aluminum}, @@ -1981,8 +1884,7 @@ @article{outlaw_diffusion_1982 month = mar, year = {1982}, pages = {287--292}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\XIT24QWK\\Outlaw et al. - 1982 - Diffusion of hydrogen in pure large grain aluminum.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\F59XSU66\\0036974882903544.html:text/html}, -} + } @article{addach_hydrogen_2005, title = {Hydrogen permeation in iron at different temperatures}, @@ -2000,8 +1902,7 @@ @article{addach_hydrogen_2005 year = {2005}, keywords = {Diffusion, Hydrogen embrittlement, Iron, Desorption, Hydrogen permeation}, pages = {1347--1351}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\8P4456NF\\Addach et al. - 2005 - Hydrogen permeation in iron at different temperatu.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\VVJ2HGQ8\\S0167577X04009814.html:text/html}, -} + } @article{masui_hydrogen_1978, title = {Hydrogen {Permeation} through {Iron}, {Nickel}, and {Heat} {Resisting} {Alloys} at {Elevated} {Temperatures}}, @@ -2013,8 +1914,7 @@ @article{masui_hydrogen_1978 author = {Masui, Kanji and Yoshida, Heitaro and Watanabe, Yoji}, year = {1978}, pages = {615--620}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\PZBZVQEF\\Masui et al. - 1978 - Hydrogen Permeation through Iron, Nickel, and Heat.pdf:application/pdf;J-Stage - Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\3ZB5SP5H\\_article.html:text/html}, -} + } @article{frauenfelder_permeation_1968, title = {Permeation of {Hydrogen} through {Tungsten} and {Molybdenum}}, @@ -2049,8 +1949,7 @@ @article{zhao_deuterium_2020 \_eprint: https://doi.org/10.1080/15361055.2019.1705727}, keywords = {Tungsten, gas-driven permeation, irradiation damage}, pages = {246--251}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\F5EM4LLM\\Zhao et al. - 2020 - Deuterium Permeation Behavior in Fe Ion Damaged Tu.pdf:application/pdf}, -} + } @article{liang_deuterium_2018, title = {Deuterium permeation behaviors in tungsten implanted with nitrogen}, @@ -2066,8 +1965,7 @@ @article{liang_deuterium_2018 month = jul, year = {2018}, pages = {174--182}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\FRWHJTQG\\Liang et al. - 2018 - Deuterium permeation behaviors in tungsten implant.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\382BJEIS\\S0022311517314563.html:text/html}, -} + } @article{liu_gas-driven_2016, title = {Gas-driven permeation of deuterium through tungsten with different microstructures}, @@ -2084,8 +1982,7 @@ @article{liu_gas-driven_2016 year = {2016}, keywords = {Tungsten, Diffusion, Permeation, Hydrogen isotopes, Fusion materials}, pages = {216--220}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\SMJBV2UT\\Liu et al. - 2016 - Gas-driven permeation of deuterium through tungste.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\4YTC4I4G\\S0920379616305701.html:text/html}, -} + } @article{smith_solubility_1979, title = {The solubility and isotopic exchange equilibrium for hydrogen isotopes in lithium}, @@ -2102,8 +1999,7 @@ @article{smith_solubility_1979 month = jan, year = {1979}, pages = {1001--1009}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\S5CMAKKM\\Smith et al. - 1979 - The solubility and isotopic exchange equilibrium f.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\BW5YM5BM\\0022190279800779.html:text/html}, -} + } @article{vadrucci_hydrogen_2013, title = {Hydrogen permeation through {Pd}–{Ag} membranes: {Surface} effects and {Sieverts}' law}, @@ -2122,8 +2018,7 @@ @article{vadrucci_hydrogen_2013 year = {2013}, keywords = {Dense Pd-membrane, Sieverts' law, Surface effects}, pages = {4144--4152}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\KKAMM4TF\\Vadrucci et al. - 2013 - Hydrogen permeation through Pd–Ag membranes Surfa.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\F39765XR\\S0360319913002000.html:text/html}, -} + } @article{braun_determination_1980, title = {Determination of deuterium surface recombination rates on stainless steel}, @@ -2140,8 +2035,7 @@ @article{braun_determination_1980 year = {1980}, pages = {861--865}, annote = {coefficient de recombinaison H dans l'acier}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\D7EH4G8B\\Braun et al. - 1980 - Determination of deuterium surface recombination r.pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\4AW33YKP\\0022311580902196.html:text/html;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7UPDLW8V\\0022311580902196.html:text/html}, -} + } @article{moore_thermal_1964, title = {Thermal {Dissociation} of {Hydrogen}}, @@ -2157,8 +2051,7 @@ @article{moore_thermal_1964 month = jun, year = {1964}, pages = {2639--2652}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\KV3BZHQ7\\Moore and Unterwald - 2004 - Thermal Dissociation of Hydrogen.pdf:application/pdf;Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\X4R5995F\\Thermal-Dissociation-of-Hydrogen.html:text/html}, -} + } @article{fukada_unsolved_2011, series = {Proceedings of {ICFRM}-14}, @@ -2176,8 +2069,7 @@ @article{fukada_unsolved_2011 month = oct, year = {2011}, pages = {727--730}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\W95TVXV6\\Fukada and Edao - 2011 - Unsolved issues on tritium mass transfer in Li–Pb .pdf:application/pdf;ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\7WGYCP7L\\S0022311510009499.html:text/html}, -} + } @article{okada_analysis_2012, title = {Analysis of {Simultaneous} {H} and {D} {Permeation} through {Lithium}-{Lead}}, @@ -2192,8 +2084,7 @@ @article{okada_analysis_2012 author = {Okada, Makoto and Edao, Yuki and Okitsu, Hiroaki and Fukada, Satoshi}, year = {2012}, pages = {2405074--2405074}, - file = {Okada et al. - 2012 - Analysis of Simultaneous H and D Permeation throug.pdf:C\:\\Users\\remidm\\Zotero\\storage\\43HSGEAM\\Okada et al. - 2012 - Analysis of Simultaneous H and D Permeation throug.pdf:application/pdf}, -} + } @article{belonoshko_first-principles_2004, title = {First-principles study of hydrogen diffusion in \${\textbackslash}ensuremath\{{\textbackslash}alpha\}{\textbackslash}ensuremath\{-\}\{{\textbackslash}mathrm\{{Al}\}\}\_\{2\}\{{\textbackslash}mathrm\{{O}\}\}\_\{3\}\$ and liquid alumina}, @@ -2209,8 +2100,7 @@ @article{belonoshko_first-principles_2004 year = {2004}, note = {Publisher: American Physical Society}, pages = {024302}, - file = {APS Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\C3ERW9JF\\PhysRevB.69.html:text/html}, -} + } @article{serra_hydrogen_2004, title = {Hydrogen {Permeation} {Measurements} on {Alumina}: {Hydrogen} {Permeation} {Measurements} on {Alumina}}, @@ -2227,8 +2117,7 @@ @article{serra_hydrogen_2004 month = dec, year = {2004}, pages = {15--18}, - file = {Serra et al. - 2004 - Hydrogen Permeation Measurements on Alumina Hydro.pdf:C\:\\Users\\remidm\\Zotero\\storage\\WW32US37\\Serra et al. - 2004 - Hydrogen Permeation Measurements on Alumina Hydro.pdf:application/pdf}, -} + } @article{fowler_tritium_1977, title = {Tritium {Diffusion} in {A12O3} and {BeO}}, @@ -2263,8 +2152,7 @@ @article{esteban_hydrogen_2007 month = aug, year = {2007}, pages = {473--477}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\X2SX29J3\\S0022311507004187.html:text/html}, -} + } @article{montupet_leblond_permeation_2021, title = {Permeation and trapping of hydrogen in {Eurofer97}}, @@ -2281,8 +2169,7 @@ @article{montupet_leblond_permeation_2021 year = {2021}, keywords = {Trapping, Hydrogen, Permeation, Eurofer97, MHIMS, Surfaces, Thermal desorption spectrometry}, pages = {101062}, - file = {ScienceDirect Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\LRT5UXDM\\Montupet-Leblond et al. - 2021 - Permeation and trapping of hydrogen in Eurofer97.pdf:application/pdf}, -} + } @article{chen_deuterium_2021, title = {Deuterium transport and retention properties of representative fusion blanket structural materials}, @@ -2299,8 +2186,7 @@ @article{chen_deuterium_2021 year = {2021}, keywords = {Deuterium retention, Deuterium transport, Reduced activation ferritic-martensitic steels}, pages = {152904}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\X56J64CD\\S0022311521001288.html:text/html}, -} + } @article{aiello_hydrogen_2002, title = {Hydrogen {Isotopes} {Permeability} in {Eurofer} 97 {Martensitic} {Steel}}, @@ -2339,8 +2225,7 @@ @article{malo_experimental_2022 Publisher: Multidisciplinary Digital Publishing Institute}, keywords = {vanadium, H isotope transport phenomena, permeability, surface rate constants}, pages = {579}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\LFJQKTM8\\Malo et al. - 2022 - Experimental Determination of Hydrogen Isotope Tra.pdf:application/pdf}, -} + } @article{powell_surface_1991, title = {Surface conductance and the diffusion of {H} and {D} in {Pd}}, @@ -2356,8 +2241,7 @@ @article{powell_surface_1991 month = mar, year = {1991}, pages = {6968--6976}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\LL7A5ANN\\Powell and Kirkpatrick - 1991 - Surface conductance and the diffusion of H and D i.pdf:application/pdf}, -} + } @article{hu_hydrogen_2015, title = {Hydrogen permeation in FeCrAl alloys for LWR cladding application}, @@ -2639,8 +2523,7 @@ @article{sherman_hydrogen_1983 year = {1983}, keywords = {Hydrogen Permeation, Isotope Effect, Metallurgical Transaction, Surface Barrier, Surface Impedance}, pages = {203--210}, - file = {Full Text PDF:C\:\\Users\\remidm\\Zotero\\storage\\EYP2DBI2\\Sherman and Birnbaum - 1983 - Hydrogen permeation and diffusion in niobium.pdf:application/pdf}, -} + } @article{byeon_deuterium_2021, title = {Deuterium transport in {ITER}-grade tungsten}, @@ -2673,8 +2556,7 @@ @article{shimada_tritium_2019 year = {2019}, keywords = {Permeation, Tritium permeability, Tungsten}, pages = {1988--1992}, - file = {ScienceDirect Snapshot:C\:\\Users\\remidm\\Zotero\\storage\\K6L4T4HI\\S0920379619304041.html:text/html}, -} + } @article{petucci_diffusion_2013, title = {Diffusion, adsorption, and desorption of molecular hydrogen on graphene and in graphite},

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