Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation

doi:10.1142/S0217984921504017

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	Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation
	Xue, Hongtao 1; Yu, Xudong 1; Zhou, Xin 2; Tang, Fuling 1; Li, Xiuyan 2; Wu, Youzhi 1; Ren, Junqiang 1; Lu, Xuefeng 1
刊名	MODERN PHYSICS LETTERS B
	2022-01-20
卷号	36 期号:2
关键词	Grain boundary relaxation Ni Sigma 17 [110](223) grain boundary molecular dynamics grain boundary stability nanocrystalline metals
ISSN号	0217-9849
DOI	10.1142/S0217984921504017
英文摘要	The stabilization of grain boundaries (GBs) is beneficial for improving the stability and mechanical properties of nanocrystalline (NC) metals. Molecular dynamics (MD) calculations were performed to investigate the shear response of Ni Sigma 17 [110](223) symmetrical tilt GB. It was found that under the action of shear, the nucleation and evolution of the GB source Shockley partial dislocations ultimately result in the low-energy-state transformation of the GB structure units (SUs). However, the Ag atom contained in the GB increases the shear stress and strain required for the GB relaxation, and the strain range for the GB relaxation is expanded, indicating the inhibitory effect of the Ag atom on the structural relaxation of Ni Sigma 17 [110](223) GB. As the temperature increases from 10 K to 250 K, the structural relaxation of Ni Sigma 17 [110](223) GB becomes easier to proceed. In addition to segregation-induced GB stabilization, strain-induced GB relaxation and the roles of foreign atom and temperature clarified in this work could provide several new entry points for stabilizing high-energy GBs.
WOS研究方向	Physics
语种	英语
出版者	WORLD SCIENTIFIC PUBL CO PTE LTD
WOS记录号	WOS:000746685300001
内容类型	期刊论文
源URL	[http://ir.lut.edu.cn/handle/2XXMBERH/154836]
专题	省部共建有色金属先进加工与再利用国家重点实验室材料科学与工程学院
作者单位	1.Lanzhou Univ Technol, Sch Mat Sci & Engn, State Key Lab Adv Proc & Recycling Nonferrous Met, Lanzhou 730050, Peoples R China; 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Xue, Hongtao,Yu, Xudong,Zhou, Xin,et al. Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation[J]. MODERN PHYSICS LETTERS B,2022,36(2).
APA	Xue, Hongtao.,Yu, Xudong.,Zhou, Xin.,Tang, Fuling.,Li, Xiuyan.,...&Lu, Xuefeng.(2022).Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation.MODERN PHYSICS LETTERS B,36(2).
MLA	Xue, Hongtao,et al."Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation".MODERN PHYSICS LETTERS B 36.2(2022).