Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation

doi:10.1088/1674-1056/23/11/110208

Abstract The effect of Re on stacking fault (SF) nucleation under shear strain in Ni is investigated using the climbing image nudged elastic band method with a Ni-Al-Re embedded-atom-method potential. A parameter (ΔE_sf^b), the activation energy of SF nucleation under shear strain, is introduced to evaluate the effect of Re on SF nucleation under shear strain. Calculation results show that ΔE_sf^b decreases with Re addition, which means that SF nucleation under shear strain in Ni may be enhanced by Re. The atomic structure observation shows that the decrease of ΔE_sf^b may be due to the expansion of local structure around the Re atom when SF goes through the Re atom.

Keywords: molecular dynamics activation energy stacking fault nucleation

Received: 23 May 2014
Revised: 16 July 2014
Accepted manuscript online:

PACS:	02.70.Ns	(Molecular dynamics and particle methods)
	61.72.Nn	(Stacking faults and other planar or extended defects)
	61.82.Bg	(Metals and alloys)

Fund: Project supported by the National Basic Research Program of China (Grant No. 2011CB606402) and the National Natural Science Foundation of China (Grant No. 51071091).

Corresponding Authors: Wang Chong-Yu
E-mail: cywang@mail.tsinghua.edu.cn

Cite this article:

Liu Zheng-Guang (刘争光), Wang Chong-Yu (王崇愚), Yu Tao (于涛) Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation 2014 Chin. Phys. B 23 110208

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Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation

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