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

SCRIPTA MATERIALIA

卷:124

Article

Zarkadoula, Eva¹  Samolyuk, German¹  Xue, Haizhou²  Bei, Hongbin¹  Weber, William J.^1,2 

[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

关键词: Molecular dynamics;    Two-temperature model;    Electronic effects;    Nickel and nickel alloys;    Cascades;   

DOI  :  10.1016/j.scriptamat.2016.06.028

来源: Elsevier

【 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.

【 授权许可】

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