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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.
2018-06-01
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
ISSN0927-0256
Volume148Pages:207-215
AbstractIn 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.
description.department[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
KeywordMolybdenum Single-crystals Bcc Metals Plastic-deformation Core Structures Flow-stress Glide Temperature Orientation Dependence Fe
Subject AreaMaterials Science, Multidisciplinary
Funding OrganizationProgram of "One Hundred Talented People" of the Chinese Academy of Sciences; National Natural Science Foundation of China (NSFC) [51331007, 51571198, 51501197, 51771206, 51401207]
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/79295
Collection中国科学院金属研究所
Corresponding AuthorYang, JB; Zhang, ZF (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
Recommended Citation
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.
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