Ab initio investigation on the slip preference of < a >-dislocations in hexagonal metals and alloys

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	Ab initio investigation on the slip preference of < a >-dislocations in hexagonal metals and alloys
	Zhou, G.; Li, Y. J.; Wang, H.; Ye, L. H.; Xu, D. S.; Meng, C. G.; Yang, R.; Wang, H (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China.
刊名	ELSEVIER SCIENCE BV
	2017-11-01
卷号	139 页码:209-215
关键词	Plasticity Metal Dislocation Hexagonal Ab Initio
ISSN号	0927-0256
英文摘要	Slip preference is investigated via ab initio calculations in hexagonal metals, Be, Mg, Ti, Zn and Zr, as well as alloyed Mg and Ti. In general, the unstable stacking fault energy, gamma(us), which is relevant with the Peierls barrier, plays the key role in determining slip preference. In the materials studied, slip is preferred on the plane that possesses a lower gamma(us). Detailed studies indicate that gamma(us), determined by the directionality of electron bonding, is primarily relevant to the c/a ratio. In alloyed Mg and Ti, alloying varies the c/a ratio, but due to different dependences of gamma(us) on c/a, certain alloying elements significantly affect < a >-slip preference in Mg, while alloying exhibits negligible influence on < a >-slip preference in hexagonal Ti. (C) 2017 Elsevier B.V. All rights reserved.; Slip preference is investigated via ab initio calculations in hexagonal metals, Be, Mg, Ti, Zn and Zr, as well as alloyed Mg and Ti. In general, the unstable stacking fault energy, gamma(us), which is relevant with the Peierls barrier, plays the key role in determining slip preference. In the materials studied, slip is preferred on the plane that possesses a lower gamma(us). Detailed studies indicate that gamma(us), determined by the directionality of electron bonding, is primarily relevant to the c/a ratio. In alloyed Mg and Ti, alloying varies the c/a ratio, but due to different dependences of gamma(us) on c/a, certain alloying elements significantly affect < a >-slip preference in Mg, while alloying exhibits negligible influence on < a >-slip preference in hexagonal Ti. (C) 2017 Elsevier B.V. All rights reserved.
学科主题	Materials Science, Multidisciplinary
语种	英语
资助机构	National Key Research and Development Program of China [2016YFB0701304]; Natural Science Foundation of China [51671195]; Youth Innovation Promotion Association of Chinese Academy of Sciences [2015151]
公开日期	2018-01-10
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/79020]
专题	金属研究所_中国科学院金属研究所
通讯作者	Wang, H (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China.
推荐引用方式 GB/T 7714	Zhou, G.,Li, Y. J.,Wang, H.,et al. Ab initio investigation on the slip preference of < a >-dislocations in hexagonal metals and alloys[J]. ELSEVIER SCIENCE BV,2017,139:209-215.
APA	Zhou, G..,Li, Y. J..,Wang, H..,Ye, L. H..,Xu, D. S..,...&Wang, H .(2017).Ab initio investigation on the slip preference of < a >-dislocations in hexagonal metals and alloys.ELSEVIER SCIENCE BV,139,209-215.
MLA	Zhou, G.,et al."Ab initio investigation on the slip preference of < a >-dislocations in hexagonal metals and alloys".ELSEVIER SCIENCE BV 139(2017):209-215.