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Using a scalar parameter to trace dislocation evolution in atomistic modeling
J. B. Yang; Z. F. Zhang; Y. N. Osetsky; R. E. Stoller
2015
Source PublicationComputational Materials Science
ISSN0927-0256
Volume96Pages:85-89
AbstractA scalar c-parameter is proposed from the Nye tensor. Its maximum value occurs along a dislocation line, either straight or curved, when the coordinate system is purposely chosen. This parameter can be easily obtained from the Nye tensor calculated at each atom in atomistic modeling. Using the c-parameter, a fully automated approach is developed to determine core atoms and the Burgers vectors of dislocations simultaneously. The approach is validated by revealing the smallest dislocation loop and by tracing the whole formation process of complicated dislocation networks on the fly. (C) 2014 Elsevier B. V. All rights reserved.
description.department[yang, j. b. ; zhang, z. f.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [yang, j. b. ; osetsky, y. n. ; stoller, r. e.] oak ridge natl lab, mat sci & technol div, oak ridge, tn 37831 usa. ; yang, jb (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china. ; jbyang@imr.ac.cn
KeywordDislocation Nye Tensor Atomistic Modeling Simulation Plastic Deformation Molecular-dynamics Core Structure Simulations Boundary Crystal
URL查看原文
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/73470
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
J. B. Yang,Z. F. Zhang,Y. N. Osetsky,et al. Using a scalar parameter to trace dislocation evolution in atomistic modeling[J]. Computational Materials Science,2015,96:85-89.
APA J. B. Yang,Z. F. Zhang,Y. N. Osetsky,&R. E. Stoller.(2015).Using a scalar parameter to trace dislocation evolution in atomistic modeling.Computational Materials Science,96,85-89.
MLA J. B. Yang,et al."Using a scalar parameter to trace dislocation evolution in atomistic modeling".Computational Materials Science 96(2015):85-89.
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