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Title: Effects of the electron-phonon coupling activation in collision cascades

Abstract

Using the two-temperature (2T-MD) model in molecular dynamics simulations, here we investigate the condition of switching the electronic stopping term off when the electron-phonon coupling is activated in the damage production due to 50 keV Ni ion cascades in Ni and equiatomic NiFe. Additionally we investigate the effect of the electron-phonon coupling activation time in the damage production. We find that the switching condition has negligible effect in the produced damage, while the choice of the activation time of the electron-phonon coupling can affect the amount of surviving damage.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science & Engineering
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1356944
Grant/Contract Number:
AC05-00OR22725; AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Nuclear Materials
Additional Journal Information:
Journal Volume: 490; Journal Issue: C; Journal ID: ISSN 0022-3115
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Two-Temperature Model; nickel-based alloys; Radiation Damage; Electronic effects; Cascades; Molecular dynamics

Citation Formats

Zarkadoula, Eva, Samolyuk, German, and Weber, William J. Effects of the electron-phonon coupling activation in collision cascades. United States: N. p., 2017. Web. doi:10.1016/j.jnucmat.2017.04.020.
Zarkadoula, Eva, Samolyuk, German, & Weber, William J. Effects of the electron-phonon coupling activation in collision cascades. United States. doi:10.1016/j.jnucmat.2017.04.020.
Zarkadoula, Eva, Samolyuk, German, and Weber, William J. Thu . "Effects of the electron-phonon coupling activation in collision cascades". United States. doi:10.1016/j.jnucmat.2017.04.020. https://www.osti.gov/servlets/purl/1356944.
@article{osti_1356944,
title = {Effects of the electron-phonon coupling activation in collision cascades},
author = {Zarkadoula, Eva and Samolyuk, German and Weber, William J.},
abstractNote = {Using the two-temperature (2T-MD) model in molecular dynamics simulations, here we investigate the condition of switching the electronic stopping term off when the electron-phonon coupling is activated in the damage production due to 50 keV Ni ion cascades in Ni and equiatomic NiFe. Additionally we investigate the effect of the electron-phonon coupling activation time in the damage production. We find that the switching condition has negligible effect in the produced damage, while the choice of the activation time of the electron-phonon coupling can affect the amount of surviving damage.},
doi = {10.1016/j.jnucmat.2017.04.020},
journal = {Journal of Nuclear Materials},
number = C,
volume = 490,
place = {United States},
year = {Thu Apr 20 00:00:00 EDT 2017},
month = {Thu Apr 20 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
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