Molecular dynamics study of edge dislocation motion in a bcc metal

被引：35

作者：

Chang, JP ^{[1
]}

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：

JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN | 1999年 / 6卷 / 2-3期

关键词：

atamistic simulation; dislocation mobility; dislocation velocity; hyperdynamics; molecular dynamics simulations; molybdenum;

D O I：

10.1023/A:1008716911551

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

The motion of an edge dislocation gliding in a bcc lattice under shear loading is simulated by molecular dynamics. The time evolution of the dislocation profile, derived by analyzing the spatial disregistry between two adjacent atomic rows, reveals frequent nucleation of double kinks and little activity in kink migration in association with the dislocation motion. An essentially linear stress variation is obtained, while the temperature dependence suggests the mechanism of phonon drag.

引用

页码：165 / 173

页数：9

共 18 条

[1] AN IMPROVED N-BODY SEMIEMPIRICAL MODEL FOR BODY-CENTERED CUBIC TRANSITION-METALS [J].

ACKLAND, GJ ;

THETFORD, R .

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1987, 56 (01) :15-30

[2]

Allen M. P., 1989, COMPUTER SIMULATION

[3]

Alshits V. I., 1986, Dislocations in solids. Vol.7, P43

[4] Dislocation modelling at atomistic and mesoscopic scales [J].

Bulatov, VV ;

Kubin, LP .

CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 1998, 3 (06) :558-561

[5] Kinetic Monte Carlo method for dislocation glide in silicon [J].

Cai, W ;

Bulatov, VV ;

Yip, S .

JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN, 1999, 6 (2-3) :175-183

[6]

CAI W, 1999, MAT RES SOC P, V538

[7]

DAW MS, 1986, MODELING ENV EFFECTS

[8] A SIMPLE EMPIRICAL N-BODY POTENTIAL FOR TRANSITION-METALS [J].

FINNIS, MW ;

SINCLAIR, JE .

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1984, 50 (01) :45-55

[9]

Frenkel D., 2001, Understanding Molecular Simulation: From Algorithms to Applications, V1

[10]

Hirth J. P., 1982, THEORY DISLOCATIONS

← 1 2 →