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Title: Molecular dynamics discovery of an extraordinary ionic migration mechanism in dislocation-containing TlBr crystals

Abstract

MD simulation of dislocation migration under an electrical field.

Authors:
ORCiD logo [1];  [1];  [2];  [2];  [3];  [3];  [1]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  3. Radiation Monitoring Devices, Watertown, MA (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1697980
Alternate Identifier(s):
OSTI ID: 1575289
Report Number(s):
SAND-2016-9994J
Journal ID: ISSN 1463-9076; 648073
Grant/Contract Number:  
AC04-94AL85000; NA0003525
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 22; Journal Issue: 2; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Zhou, X. W., Foster, M. E., Yang, P., Rodriguez, M. A., Kim, H., Cirignano, L. J., and Doty, F. P. Molecular dynamics discovery of an extraordinary ionic migration mechanism in dislocation-containing TlBr crystals. United States: N. p., 2019. Web. doi:10.1039/c9cp04560k.
Zhou, X. W., Foster, M. E., Yang, P., Rodriguez, M. A., Kim, H., Cirignano, L. J., & Doty, F. P. Molecular dynamics discovery of an extraordinary ionic migration mechanism in dislocation-containing TlBr crystals. United States. https://doi.org/10.1039/c9cp04560k
Zhou, X. W., Foster, M. E., Yang, P., Rodriguez, M. A., Kim, H., Cirignano, L. J., and Doty, F. P. Fri . "Molecular dynamics discovery of an extraordinary ionic migration mechanism in dislocation-containing TlBr crystals". United States. https://doi.org/10.1039/c9cp04560k. https://www.osti.gov/servlets/purl/1697980.
@article{osti_1697980,
title = {Molecular dynamics discovery of an extraordinary ionic migration mechanism in dislocation-containing TlBr crystals},
author = {Zhou, X. W. and Foster, M. E. and Yang, P. and Rodriguez, M. A. and Kim, H. and Cirignano, L. J. and Doty, F. P.},
abstractNote = {MD simulation of dislocation migration under an electrical field.},
doi = {10.1039/c9cp04560k},
url = {https://www.osti.gov/biblio/1697980}, journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 2,
volume = 22,
place = {United States},
year = {2019},
month = {11}
}

Journal Article:
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