Merge branch 'main' into graphite--shirasu

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",
 )
 
 import numpy as np

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:

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:

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},
@@ -2690,4 +2706,18 @@ @article{shirasu_thermodynamic_1993
 	month = apr,
 	year = {1993},
 	pages = {218--222},
+}
+
+@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.}
 }