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added guthrie Mo data #271

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added guthrie Mo data #271

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16 changes: 16 additions & 0 deletions h_transport_materials/_version.py
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This file shouldn't be included in version control (see the second line in the file) please remove

Original file line number Diff line number Diff line change
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# file generated by setuptools_scm
# don't change, don't track in version control
TYPE_CHECKING = False
if TYPE_CHECKING:
from typing import Tuple, Union
VERSION_TUPLE = Tuple[Union[int, str], ...]
else:
VERSION_TUPLE = object

version: str
__version__: str
__version_tuple__: VERSION_TUPLE
version_tuple: VERSION_TUPLE

__version__ = version = '0.1.dev1028+g6c1a840.d20240109'
__version_tuple__ = version_tuple = (0, 1, 'dev1028', 'g6c1a840.d20240109')
2 changes: 2 additions & 0 deletions h_transport_materials/property_database/molybdenum.py
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Expand Up @@ -49,6 +49,8 @@
source="frauenfelder_permeation_1968",
)

guthrie_p_0 = 3.8e-3 * u.ccSTP * u.cm**-1 * u.s**-1 * u.atm**-0.5

Comment on lines +52 to +53
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I understand this is the pre-exponential factor for deuterium's permeability in Mo (Figure 7 in the paper).
If you want to add this property to HTM then you need to:

  1. Create an ArrheniusProperty object (here use Permeability) in h_transport_materials/property_database/molybdenum.py
  2. Add it to the database as explained in the contributing guide

Here it would look something like:

guthrie_permeability = Permeability(
    pre_exp=3.8e-3 * u.ccSTP * u.cm**-1 * u.s**-1 * u.atm**-0.5,
    act_energy=17.4 * u.kcal * u.g**-1,  # careful here with the conversion from kcal/g-atom to kcal/mol
    range=(u.Quantity(270, u.degC), u.Quantity(640, u.degC)),
    note="Figure 7",
    source="Guthrie1974",
)

properties = [
tanabe_diffusivity,
katsuta_diffusivity,
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15 changes: 15 additions & 0 deletions h_transport_materials/references.bib
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Expand Up @@ -2606,3 +2606,18 @@ @article{piper_diffusion_2004
url = {https://doi.org/10.1063/1.1708243},
eprint = {https://pubs.aip.org/aip/jap/article-pdf/37/2/715/7937414/715\_1\_online.pdf},
}

@article{Guthrie1974,
abstract = {Interference microscopy and scanning electron microscopy have been used to measure mechanical effects of tritium decay and 3He accumulation in thin film tritides of Sc, Ti, Y, Ho, and Er, all of which exhibit thickness increase of 2-4% y-1, followed by the development of bubbles and craters and the occurrence of significant mechanical film failure. Scandium and erbium deuterotritide films have been subjected to 20 keV N2+ ion bombardment in an ion microprobe mass analyzer to produce sputter ion species characteristic not only of the original film (e.g., M+, MO+, MD+, MT+) but also of compounds formed during the sputtering operation (e.g., ScN+). Hydrogen isotope permeation has been measured for the homogeneous metals Cu, Ceramvar and Mo, for a Ceramvar-copper-Ceramvar laminate, and for tin-coated Rodar. Measured permeation rates through the laminate are significantly less than those predicted from the permeabilities of its individual constituents. Permeation rates of deuterium through Mo exhibit a somewhat lower activation energy than has been reported in the literature. {\textcopyright} 1974.},
author = {Guthrie, J.W. and Beavis, L.C. and Begeal, D.R. and Perkins, W.G.},
doi = {10.1016/0022-3115(74)90263-3},
issn = {00223115},
journal = {Journal of Nuclear Materials},
month = {sep},
number = {C},
pages = {313--322},
title = {{Properties of hydride-forming metals and of multilayer hydrogen permeation barriers}},
url = {https://linkinghub.elsevier.com/retrieve/pii/0022311574902633},
volume = {53},
year = {1974}
}
6 changes: 6 additions & 0 deletions out.bib
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I think you accidentally added this file to version control, please remove

Original file line number Diff line number Diff line change
@@ -0,0 +1,6 @@
@article{article-minimal,
author = "Lamport, L[eslie] B.",
title = "The Gnats and Gnus Document Preparation System",
journal = "G-Animal's Journal",
year = "1986"
}
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