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	Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation
	Liu ZG(刘争光) ; Wang CY(王崇愚) ; Yu T(于涛) ; Liu Zheng-Guang ; Wang Chong-Yu ; Yu Tao
	2016-03-30 ; 2016-03-30
关键词	molecular dynamics activation energy stacking fault nucleation O562
其他题名	Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation
中文摘要	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(ΔEb sf), 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 ΔEb sfdecreases 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 ΔEb sfmay be due to the expansion of local structure around the Re atom when SF goes through the Re atom.; 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(ΔEb sf), 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 ΔEb sfdecreases 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 ΔEb sfmay be due to the expansion of local structure around the Re atom when SF goes through the Re atom.
语种	英语 ; 英语
内容类型	期刊论文
源URL	[http://ir.lib.tsinghua.edu.cn/ir/item.do?handle=123456789/146053]
专题	清华大学
推荐引用方式 GB/T 7714	Liu ZG,Wang CY,Yu T,et al. Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation[J],2016, 2016.
APA	刘争光,王崇愚,于涛,Liu Zheng-Guang,Wang Chong-Yu,&Yu Tao.(2016).Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation..
MLA	刘争光,et al."Effect of Re on stacking fault nucleation under shear strain in Ni by atomistic simulation".(2016).

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