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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.
2017-11-01
发表期刊ELSEVIER SCIENCE BV
ISSN0927-0256
卷号139页码:209-215
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.
部门归属[zhou, g. ; meng, c. g.] dalian univ technol, dalian 116024, peoples r china ; [zhou, g. ; wang, h. ; ye, l. h. ; xu, d. s. ; yang, r.] chinese acad sci, inst met res, shenyang 110016, peoples r china ; [li, y. j.] shenyang pharmaceut univ, shenyang 110016, peoples r china
关键词Plasticity Metal Dislocation Hexagonal Ab Initio
学科领域Materials Science, Multidisciplinary
资助者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]
收录类别SCI
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/79020
专题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.
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