Shear-strain induced structural relaxation of Cu Sigma 3 [110](112) symmetric tilt grain boundary: The role of foreign atoms and temperature

doi:10.1016/j.cap.2021.04.024

	Shear-strain induced structural relaxation of Cu Sigma 3 [110](112) symmetric tilt grain boundary: The role of foreign atoms and temperature
	Li, Yang1 ; Xue, Hongtao1 ; Zhou, Xin 2; Tang, Fuling1 ; Li, Xiuyan 2; Ren, Junqiang1 ; Lu, Xuefeng1
	2021-08
发表期刊	CURRENT APPLIED PHYSICS
ISSN	1567-1739
卷号	28 页码:19-25
摘要	Grain boundaries (GBs) relaxation is a promising and effective strategy to improving GB stability or stabilizing nanocrystalline metals. However, previous studies mainly focused on nanocrystalline pure metals and GB behaviors therein, without considering the role of foreign atoms such as impurity or alloying atoms in GB relaxation. In this work, the shear-strain induced structural relaxation of pure Cu Sigma 3 [110](112) symmetric tilt GBs (STGBs), and the effects of foreign elements (Fe and Ni) and temperature on the GB relaxation were investigated in detail by molecular dynamics method. The results show that shear strain can trigger the structural relaxation of pure, Fe- and Ni-containing Cu GBs by the emission of Shockley partial dislocations from Cu GBs. Both Fe and Ni have impediment effects on the shear-strain induced GB relaxation, though the content of Fe or Ni atom (0.00165 at.%) is quite low in the GB model. The temperature cannot trigger GB relaxation independently within the considered temperature range, but play a positive role in the shear-strain induced structural relaxations of pure, Fe- and Ni-containing Cu Sigma 3 [110](112) STGBs. Our work might gain new insights into the mechanically induced GB relaxation in nanocrystalline copper and could be beneficial for improving the stability of Cu GBs.
关键词	Grain boundary relaxation Cu Sigma 3 [110](112) symmetric tilt grain boundary Shear strain Grain boundary stability Molecular dynamics
DOI	10.1016/j.cap.2021.04.024
收录类别	EI ; SCOPUS ; SCIE
语种	英语
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000662268900004
出版者	ELSEVIER
引用统计	被引频次[WOS]：0 [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	https://ir.lut.edu.cn/handle/2XXMBERH/148924
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图书馆
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, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Peoples R China
第一作者单位	材料科学与工程学院
第一作者的第一单位	材料科学与工程学院
推荐引用方式 GB/T 7714	Li, Yang,Xue, Hongtao,Zhou, Xin,et al. Shear-strain induced structural relaxation of Cu Sigma 3 [110](112) symmetric tilt grain boundary: The role of foreign atoms and temperature[J]. CURRENT APPLIED PHYSICS,2021,28:19-25.
APA	Li, Yang.,Xue, Hongtao.,Zhou, Xin.,Tang, Fuling.,Li, Xiuyan.,...&Lu, Xuefeng.(2021).Shear-strain induced structural relaxation of Cu Sigma 3 [110](112) symmetric tilt grain boundary: The role of foreign atoms and temperature.CURRENT APPLIED PHYSICS,28,19-25.
MLA	Li, Yang,et al."Shear-strain induced structural relaxation of Cu Sigma 3 [110](112) symmetric tilt grain boundary: The role of foreign atoms and temperature".CURRENT APPLIED PHYSICS 28(2021):19-25.