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

IMR OpenIR

	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.
	2018-06-01
发表期刊	COMPUTATIONAL MATERIALS SCIENCE
ISSN	0927-0256
卷号	148 页码:207-215
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.
部门归属	[xia, z. y. ; zhang, z. j. ; yang, j. b. ; zhang, z. f.] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, liaoning, peoples r china ; [xia, z. y. ; yang, j. b. ; zhang, z. f.] univ sci & technol china, sch mat sci & engn, hefei 230026, anhui, peoples r china
关键词	Molybdenum Single-crystals Bcc Metals Plastic-deformation Core Structures Flow-stress Glide Temperature Orientation Dependence Fe
学科领域	Materials Science, Multidisciplinary
资助者	Program of "One Hundred Talented People" of the Chinese Academy of Sciences; National Natural Science Foundation of China (NSFC) [51331007, 51571198, 51501197, 51771206, 51401207]
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/321006/79295
专题	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.