A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals

doi:10.11900/0412.1961.2017.00252

IMR OpenIR

	A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals
	Zhou Gang 1,2; Ye Lihua 1; Wang Hao 1; Xu Dongsheng 1; Meng Changgong 2; Yang Rui 1
通讯作者	Wang Hao(haowang@imr.ac.cn)
	2018-04-01
发表期刊	ACTA METALLURGICA SINICA
ISSN	0412-1961
卷号	54 期号:4 页码:603-612
摘要	In hexagonal metals and alloys, deformation twinning plays an important role, because it is closely relevant to the mechanical behaviors. Recent studies have proposed a new twinning mode via direct lattice reorientation, which results in the basal/prismatic boundary, however, some important details remain unanswered, e.g., the twinning path and alloying effect. In this work, first principles calculations were employed to systematically study the reorientation process from basal to prismatic orientation in hexagonal metals and corresponding alloying effect. The result indicates that different activation energies are required to reorient in various hexagonal metals, and among them, the energy in Mg is the lowest and Os is the highest. Shear and shuffle components compose the reorientation process, where the shuffle component always contributes a significant part of the activation energy in Mg, whereas in Ti with sufficient shear strain, subsequent transition becomes energy-downhill. The pure shear was effected by alloying elements in Mg alloys, but pure shuffle in Ti alloys. Under certain shear or shuffle, subsequent activation energy has a complex dependence on alloying elements.
关键词	hexagonal metal twinning first principles calculation alloying
资助者	National Key Research and Development Program of China ; National Natural Science Foundation of China
DOI	10.11900/0412.1961.2017.00252
收录类别	SCI
语种	英语
资助项目	National Key Research and Development Program of China[2016YFB0701304] ; National Natural Science Foundation of China[51671195]
WOS研究方向	Metallurgy & Metallurgical Engineering
WOS类目	Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000433006500014
出版者	SCIENCE PRESS
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/128506
专题	中国科学院金属研究所
通讯作者	Wang Hao
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China 2.Dalian Univ Technol, Sch Mat Sci & Engn, Dalian 116024, Peoples R China
推荐引用方式 GB/T 7714	Zhou Gang,Ye Lihua,Wang Hao,et al. A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals[J]. ACTA METALLURGICA SINICA,2018,54(4):603-612.
APA	Zhou Gang,Ye Lihua,Wang Hao,Xu Dongsheng,Meng Changgong,&Yang Rui.(2018).A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals.ACTA METALLURGICA SINICA,54(4),603-612.
MLA	Zhou Gang,et al."A First-Principles Study on Basal/Prismatic Reorientation-Induced Twinning Path and Alloying Effect in Hexagonal Metals".ACTA METALLURGICA SINICA 54.4(2018):603-612.