Molecular dynamics simulations of the effects of defects on martensite nucleation

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	Molecular dynamics simulations of the effects of defects on martensite nucleation
	B. Li; X. M. Zhang; P. C. Clapp; J. A. Rifkin
	2004
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	95 期号:4 页码:1698-1705
摘要	The effects of various lattice defects, such as a single edge dislocation, dislocation configurations, a low-angle grain boundary, and a high-angle grain boundary, on martensite nucleation and growth were investigated by performing molecular dynamics simulations, using EAM interatomic potentials for Ni-Al alloy. Stress induced and thermally activated martensitic transformations were studied in the cases that various defects were introduced into the simulated system. The simulation results show that the nucleation patterns were closely related to the stresses of the dislocation configurations, in the sense that the locations where stresses assist the lattice distortion of the transformation are favorable for martensite nucleation. A symmetric, tilt low-angle grain boundary is not favorable for martensite nucleation, because the stresses of the constituent dislocations cancel one another and stresses that assist the lattice distortion cannot be produced. The low-angle boundary hinders the martensite growth due to the high stability of this type of dislocation configuration. A relaxed, high-angle grain boundary (coincident site lattice) is also not favorable for martensite nucleation, because of the lack of long-range stress field. (C) 2004 American Institute of Physics.
部门归属	univ connecticut, dept met & mat engn, storrs, ct 06269 usa. chinese acad sci, inst met res, shenyang 110015, peoples r china. univ barcelona, e-08028 barcelona, spain.;li, b (reprint author), univ connecticut, dept met & mat engn, 97 n eagleville rd, storrs, ct 06269 usa;binli@engr.uconn.edu
关键词	Computer-simulation Ni-alloys Transformation Metals Surfaces Growth
URL	查看原文
WOS记录号	WOS:000188654100014
引用统计	被引频次：37[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35399
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	B. Li,X. M. Zhang,P. C. Clapp,et al. Molecular dynamics simulations of the effects of defects on martensite nucleation[J]. Journal of Applied Physics,2004,95(4):1698-1705.
APA	B. Li,X. M. Zhang,P. C. Clapp,&J. A. Rifkin.(2004).Molecular dynamics simulations of the effects of defects on martensite nucleation.Journal of Applied Physics,95(4),1698-1705.
MLA	B. Li,et al."Molecular dynamics simulations of the effects of defects on martensite nucleation".Journal of Applied Physics 95.4(2004):1698-1705.