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Title: Grain boundary phases in bcc metals

Abstract

Evolutionary grand-canonical search predicts novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten, tantalum and molybdenum.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [1]; ORCiD logo [5]
  1. Lawrence Livermore National Laboratory, Livermore, USA
  2. Pacific Northwest National Laboratory, Richland, USA
  3. Department of Materials Science and Engineering, University of California Los Angeles, Los Angeles, USA
  4. Stony Brook University, Stony Brook, USA
  5. Department of Physics and Astronomy, High Pressure Science and Engineering Center, University of Nevada, Las Vegas, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Fusion Energy Sciences (FES) (SC-24); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1434378
Grant/Contract Number:
AC05-76RLO-1830; AC52-07NA27344; 17-LW-012; NA0001982
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Volume: 10; Journal Issue: 17; Related Information: CHORUS Timestamp: 2018-05-03 07:07:36; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Frolov, T., Setyawan, W., Kurtz, R. J., Marian, J., Oganov, A. R., Rudd, R. E., and Zhu, Q. Grain boundary phases in bcc metals. United Kingdom: N. p., 2018. Web. doi:10.1039/C8NR00271A.
Frolov, T., Setyawan, W., Kurtz, R. J., Marian, J., Oganov, A. R., Rudd, R. E., & Zhu, Q. Grain boundary phases in bcc metals. United Kingdom. doi:10.1039/C8NR00271A.
Frolov, T., Setyawan, W., Kurtz, R. J., Marian, J., Oganov, A. R., Rudd, R. E., and Zhu, Q. Mon . "Grain boundary phases in bcc metals". United Kingdom. doi:10.1039/C8NR00271A.
@article{osti_1434378,
title = {Grain boundary phases in bcc metals},
author = {Frolov, T. and Setyawan, W. and Kurtz, R. J. and Marian, J. and Oganov, A. R. and Rudd, R. E. and Zhu, Q.},
abstractNote = {Evolutionary grand-canonical search predicts novel grain boundary structures and multiple grain boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten, tantalum and molybdenum.},
doi = {10.1039/C8NR00271A},
journal = {Nanoscale},
number = 17,
volume = 10,
place = {United Kingdom},
year = {Mon Jan 01 00:00:00 EST 2018},
month = {Mon Jan 01 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on March 29, 2019
Publisher's Accepted Manuscript

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