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

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	Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation
	Z. G. Liu; C. Y. Wang; T. Yu
	2014
发表期刊	Chinese Physics B
ISSN	1674-1056
卷号	23 期号:11
摘要	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 (Delta E-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 Delta E-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 Delta E-sf(b) may be due to the expansion of local structure around the Re atom when SF goes through the Re atom.
部门归属	[liu zheng-guang ; wang chong-yu ; yu tao] cent iron & steel res inst, beijing 100081, peoples r china. [liu zheng-guang] north univ china, dept phys, taiyuan 030051, peoples r china. [wang chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang chong-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china. ; wang, cy (reprint author), cent iron & steel res inst, beijing 100081, peoples r china. ; cywang@mail.tsinghua.edu.cn
关键词	Molecular Dynamics Activation Energy Stacking Fault Nucleation Minimum Energy Paths Elastic Band Method Saddle-points Crack-tip Fracture
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/73319
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. G. Liu,C. Y. Wang,T. Yu. Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation[J]. Chinese Physics B,2014,23(11).
APA	Z. G. Liu,C. Y. Wang,&T. Yu.(2014).Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation.Chinese Physics B,23(11).
MLA	Z. G. Liu,et al."Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation".Chinese Physics B 23.11(2014).