Molecular dynamics simulations of motion of edge and screw dislocations in a metal

被引：74

作者：

Chang, JP ^{[1
]}

Cai, W

Bulatov, VV

Yip, S

机构：

[1] MIT, Dept Nucl Engn, Cambridge, MA 02139 USA

[2] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2002年 / 23卷 / 1-4期

关键词：

dislocation mobility; molecular dynamics; periodic image effect;

D O I：

10.1016/S0927-0256(01)00221-X

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Motions of a straight edge dislocation and a kinked screw dislocation in BCC Mo. described by the Finnis-Sinclair potential, are Studied in periodic simulation cells subjected to an applied shear stress. Procedures for setting tip the initial atomic configurations in each case are described. and estimate is made of the local driving force due to the image interactions. Preliminary results show that at low temperature the edge dislocation moves primarily through kink nucleation. whereas the mobility of the screw dislocation is strongly facilitated by the presence of a kink. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：111 / 115

页数：5

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