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Title: Effects of two-temperature model on cascade evolution in Ni and NiFe

Abstract

We perform molecular dynamics simulations of Ni ion cascades in Ni and equiatomic NiFe under the following conditions: (a) classical molecular dynamics (MD) simulations without consideration of electronic energy loss, (b) classical MD simulations with the electronic stopping included, and (c) using the coupled two-temperature MD (2T-MD) model that incorporates both the electronic stopping and the electron-phonon interactions. Our results indicate that the electronic effects are more profound in the higher-energy cascades, and that the 2T-MD model results in a smaller amount of surviving damage and smaller defect clusters, while less damage is produced in NiFe than in Ni.

Authors:
 [1];  [2];  [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1261385
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scripta Materialia
Additional Journal Information:
Journal Volume: 124; Journal ID: ISSN 1359-6462
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Two-Temperature Model; Ni; NiFe; Radiation Damage; Cascades

Citation Formats

Samolyuk, German D., Xue, Haizhou, Bei, Hongbin, and Weber, William J.. Effects of two-temperature model on cascade evolution in Ni and NiFe. United States: N. p., 2016. Web. doi:10.1016/j.scriptamat.2016.06.028.
Samolyuk, German D., Xue, Haizhou, Bei, Hongbin, & Weber, William J.. Effects of two-temperature model on cascade evolution in Ni and NiFe. United States. doi:10.1016/j.scriptamat.2016.06.028.
Samolyuk, German D., Xue, Haizhou, Bei, Hongbin, and Weber, William J.. Tue . "Effects of two-temperature model on cascade evolution in Ni and NiFe". United States. doi:10.1016/j.scriptamat.2016.06.028. https://www.osti.gov/servlets/purl/1261385.
@article{osti_1261385,
title = {Effects of two-temperature model on cascade evolution in Ni and NiFe},
author = {Samolyuk, German D. and Xue, Haizhou and Bei, Hongbin and Weber, William J.},
abstractNote = {We perform molecular dynamics simulations of Ni ion cascades in Ni and equiatomic NiFe under the following conditions: (a) classical molecular dynamics (MD) simulations without consideration of electronic energy loss, (b) classical MD simulations with the electronic stopping included, and (c) using the coupled two-temperature MD (2T-MD) model that incorporates both the electronic stopping and the electron-phonon interactions. Our results indicate that the electronic effects are more profound in the higher-energy cascades, and that the 2T-MD model results in a smaller amount of surviving damage and smaller defect clusters, while less damage is produced in NiFe than in Ni.},
doi = {10.1016/j.scriptamat.2016.06.028},
journal = {Scripta Materialia},
number = ,
volume = 124,
place = {United States},
year = {Tue Jul 05 00:00:00 EDT 2016},
month = {Tue Jul 05 00:00:00 EDT 2016}
}

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Cited by: 9works
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