From 941e4f0fd194cd7fb10157f9347e2ed8284f700b Mon Sep 17 00:00:00 2001 From: RemDelaporteMathurin Date: Tue, 17 Sep 2024 10:48:37 -0400 Subject: [PATCH 1/2] 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 7aff11f..148a67f 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 2/2] 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 94d0a07..e679e92 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 0000000..abac629 --- /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 9203cc3..0ddf064 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