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

被引:52
作者
Zarkadoula, Eva [1 ]
Samolyuk, German [1 ]
Xue, Haizhou [2 ]
Bei, Hongbin [1 ]
Weber, William J. [1 ,2 ]
机构
[1] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA
[2] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA
基金
美国能源部;
关键词
Molecular dynamics; Two-temperature model; Electronic effects; Nickel and nickel alloys; Cascades; MICROSTRUCTURE; IRRADIATION; ALLOYS;
D O I
10.1016/j.scriptamat.2016.06.028
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
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. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码:6 / 10
页数:5
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