From 730013b3fbd736a7380a207c99693f1f850ca4cd Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Fri, 31 May 2024 14:40:51 +0200 Subject: [PATCH 1/4] 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 ee086bc..97011f8 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 2024fee..0a3da08 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 2/4] 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 9606de0..ba24362 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 2024fee..0de7f9e 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 3/4] 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 ba24362..70151f7 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 a660fb06c94c18b3ef93656f90e956ad0aff0d16 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 5 Jun 2024 16:43:18 +0200 Subject: [PATCH 4/4] 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 dd36ca3..9626e95 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", )