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Title: Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics

Authors:
 [1];  [2];  [2];  [1];  [2];  [1]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1429694
Alternate Identifier(s):
OSTI ID: 1489477; OSTI ID: 1548604
Report Number(s):
SAND-2017-12692J; LLNL-JRNL-755044
Journal ID: ISSN 1359-6462; 658955
Grant/Contract Number:  
AC04-94AL85000; AC52-07NA27344; NA-0003525
Resource Type:
Accepted Manuscript
Journal Name:
Scripta Materialia
Additional Journal Information:
Journal Volume: 149; Journal ID: ISSN 1359-6462
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Zhou, Xiaowang, Heo, Tae Wook, Wood, Brandon C., Stavila, Vitalie, Kang, Shinyoung, and Allendorf, Mark D. Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics. United States: N. p., 2018. Web. doi:10.1016/j.scriptamat.2018.02.010.
Zhou, Xiaowang, Heo, Tae Wook, Wood, Brandon C., Stavila, Vitalie, Kang, Shinyoung, & Allendorf, Mark D. Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics. United States. doi:10.1016/j.scriptamat.2018.02.010.
Zhou, Xiaowang, Heo, Tae Wook, Wood, Brandon C., Stavila, Vitalie, Kang, Shinyoung, and Allendorf, Mark D. Fri . "Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics". United States. doi:10.1016/j.scriptamat.2018.02.010. https://www.osti.gov/servlets/purl/1429694.
@article{osti_1429694,
title = {Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics},
author = {Zhou, Xiaowang and Heo, Tae Wook and Wood, Brandon C. and Stavila, Vitalie and Kang, Shinyoung and Allendorf, Mark D.},
abstractNote = {},
doi = {10.1016/j.scriptamat.2018.02.010},
journal = {Scripta Materialia},
number = ,
volume = 149,
place = {United States},
year = {2018},
month = {3}
}

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Figures / Tables:

Figure 1 Figure 1: Arrhenius plots at different hydrogen compositions of (a) x = 0.4; (b) x = 0.7; (c) x = 0.8; and (d) x = 0.9. Lines are fitted to Eqs. (1) - (5).

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Works referencing / citing this record:

An Analytical Bond Order Potential for Mg−H Systems
journal, January 2019


Influence of Hydrogen Impurity in Palladium on Migration of Tilt Grain Boundaries
journal, November 2018

  • Poletaev, G. M.; Zorya, I. V.; Starostenkov, M. D.
  • Russian Physics Journal, Vol. 61, Issue 7
  • DOI: 10.1007/s11182-018-1523-2

    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.