Merge branch 'main' into pdcu

h_transport_materials/material.py

@@ -169,3 +169,4 @@ class PalladiumAlloy(Alloy):
 
 PD60CU40 = PalladiumAlloy("60pd40cu")
 PD52CU = PalladiumAlloy("pd52cu")
+SIC = Compound("sic")

h_transport_materials/property_database/__init__.py

@@ -69,4 +69,6 @@
 
 from . import tzm
 
-from . import palladium_copper
+from . import palladium_copper
+
+from . import sic

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

h_transport_materials/references.bib

@@ -2752,4 +2752,21 @@ @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},
 }