Quantitative analysis of the yield behavior of a < 1 1 1 >/2 screw dislocation in alpha-iron

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	Quantitative analysis of the yield behavior of a < 1 1 1 >/2 screw dislocation in alpha-iron
	Xia, ZY; Zhang, ZJ; Yang, JB; Zhang, ZF; Zhang, ZF (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2018-06-01
卷号	148 页码:207-215
关键词	Molybdenum Single-crystals Bcc Metals Plastic-deformation Core Structures Flow-stress Glide Temperature Orientation Dependence Fe
ISSN号	0927-0256
英文摘要	In previous work, bond-order potentials (BOPS) have been used to establish a general yield criterion, different from the Schmid law, for the glide of < 1 1 1 >/2 screw dislocations on {1 1 0} planes in body-centered cubic metals, while their applications are restricted to the 2D simulations at 0 K because of their low computational efficiency. On the other hand, embedded-atom-method (EAM) potentials have been generally employed for long dislocation segments at finite temperatures, but there is no study to clarify whether or not they can reproduce the yield criteria revealed by the BOPs. In this work, systematic atomistic simulations with an EAM potential have been performed to calculate the behaviors of < 1 1 1 >/2 screw dislocations in alpha-iron under different loading conditions. We find that at 0 K, the simulation results can be well explained by the general yield criterion when the glide is restricted to {1 1 0} planes. Under uniaxial loadings, the activated slip systems are consistent with the experimental observations. At finite temperatures, as a preliminary attempt, the influence of the non-glide stress on the slip planes is presented, which could not be rationalized by the yield criterion at 0 K because extra effect from temperatures has come into the picture. (C) 2018 Elsevier B.V. All rights reserved.; In previous work, bond-order potentials (BOPS) have been used to establish a general yield criterion, different from the Schmid law, for the glide of < 1 1 1 >/2 screw dislocations on {1 1 0} planes in body-centered cubic metals, while their applications are restricted to the 2D simulations at 0 K because of their low computational efficiency. On the other hand, embedded-atom-method (EAM) potentials have been generally employed for long dislocation segments at finite temperatures, but there is no study to clarify whether or not they can reproduce the yield criteria revealed by the BOPs. In this work, systematic atomistic simulations with an EAM potential have been performed to calculate the behaviors of < 1 1 1 >/2 screw dislocations in alpha-iron under different loading conditions. We find that at 0 K, the simulation results can be well explained by the general yield criterion when the glide is restricted to {1 1 0} planes. Under uniaxial loadings, the activated slip systems are consistent with the experimental observations. At finite temperatures, as a preliminary attempt, the influence of the non-glide stress on the slip planes is presented, which could not be rationalized by the yield criterion at 0 K because extra effect from temperatures has come into the picture. (C) 2018 Elsevier B.V. All rights reserved.
学科主题	Materials Science, Multidisciplinary
语种	英语
资助机构	Program of "One Hundred Talented People" of the Chinese Academy of Sciences; National Natural Science Foundation of China (NSFC) [51331007, 51571198, 51501197, 51771206, 51401207]
公开日期	2018-06-05
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/79295]
专题	金属研究所_中国科学院金属研究所
通讯作者	Yang, JB; Zhang, ZF (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
推荐引用方式 GB/T 7714	Xia, ZY,Zhang, ZJ,Yang, JB,et al. Quantitative analysis of the yield behavior of a < 1 1 1 >/2 screw dislocation in alpha-iron[J]. COMPUTATIONAL MATERIALS SCIENCE,2018,148:207-215.
APA	Xia, ZY,Zhang, ZJ,Yang, JB,Zhang, ZF,&Zhang, ZF .(2018).Quantitative analysis of the yield behavior of a < 1 1 1 >/2 screw dislocation in alpha-iron.COMPUTATIONAL MATERIALS SCIENCE,148,207-215.
MLA	Xia, ZY,et al."Quantitative analysis of the yield behavior of a < 1 1 1 >/2 screw dislocation in alpha-iron".COMPUTATIONAL MATERIALS SCIENCE 148(2018):207-215.