From 8678c1c3544ec3fc316c63fefca5144ae8808329 Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Wed, 5 Jun 2024 11:40:29 +0200 Subject: [PATCH 1/3] 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 d2f17f5d9cc3eee57ec0761be11b92d626aeae1f Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Thu, 6 Jun 2024 16:30:28 +0200 Subject: [PATCH 2/3] 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 3/3] 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