A kinetic Monte Carlo study of mixed 1D/3D defect migration

被引:5
作者
Heinisch, HL
Singh, BN
Golubov, SI
机构
[1] Pacific NW Lab, Richland, WA 99352 USA
[2] Riso Natl Lab, DK-4000 Roskilde, Denmark
[3] Inst Phys & Power Engn, Obninsk, Russia
来源
JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN | 1999年 / 6卷 / 2-3期
关键词
computer simulation; defect migration; diffusion; irradiation effects; kinetic Monte Carlo;
D O I
10.1023/A:1008777901639
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Defect clusters form readily in collision cascades in metals, and some of the self-interstitial atom clusters form as crowdion clusters that diffuse by one-dimensional migration along a close-packed direction. Defect interactions and thermal fluctuations can cause the direction of one-dimensional migration to change, resulting in a mixed one-dimensional/ three-dimensional migration. Kinetic Monte Carlo computer simulations applied to model systems are used to investigate the effects of one-dimensional, three-dimensional and mixed one-dimensional/ three-dimensional migration on defect reaction kinetics. The functional relationships between the sink strength, the size of sinks and the average distance between direction changes during mixed one- dimensional/three-dimensional migration are explored.
引用
收藏
页码:277 / 282
页数:6
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