Using a scalar parameter to trace dislocation evolution in atomistic modeling

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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
发表期刊	Computational Materials Science
ISSN	0927-0256
卷号	96 页码:85-89
摘要	A 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.
部门归属	[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
关键词	Dislocation Nye Tensor Atomistic Modeling Simulation Plastic Deformation Molecular-dynamics Core Structure Simulations Boundary Crystal
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/73470
专题	中国科学院金属研究所
推荐引用方式 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.