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

doi:10.1016/j.scriptamat.2018.02.010

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

Authors:

Zhou, Xiaowang ^[1]; Heo, Tae Wook ^[2]; Wood, Brandon C. ^[2]; Stavila, Vitalie ^[1]; Kang, Shinyoung ^[2]; Allendorf, Mark D. ^[1]

Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Publication Date:: 2018-03-09

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.

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                    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.

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                    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.

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@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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Accepted Manuscript (DOE)

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DOI: 10.1016/j.scriptamat.2018.02.010

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Cited by: 2 works

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Figures / Tables:

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

Zhou, Xiaowang; Kang, Shinyoung; Heo, Tae Wook
ChemPhysChem, Vol. 20, Issue 10
DOI: 10.1002/cphc.201800991

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

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

Citation Formats

Figures / Tables:

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

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