Atomistic Simulations of grain boundary migration in copper

被引:26
|
作者
Schoenfelder, B.
Gottstein, G.
Shvindlerman, L. S.
机构
[1] Rhein Westfal TH Aachen, Inst Met & Met Phys, D-52056 Aachen, Germany
[2] Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Moscow, Russia
来源
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE | 2006年 / 37A卷 / 06期
关键词
D O I
10.1007/s11661-006-0118-7
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
While the motion of twist boundaries can be readily studied by atomistic simulations with molecular dynamics (MD) under the action of an elastic driving force, the approach fails for tilt boundaries. This is due to the interaction of the elastic stress with the grain boundary (GB) structure, which causes plastic strain by GB sliding. A novel concept, the orientation correlated driving force, is introduced to circumvent this problem. It is shown that this concept can be successfully applied to the study of the migration of tilt boundaries. The migration behavior of several twist and tilt GBs was investigated. The transition from low-to high-angle boundaries can be captured, and a structural transition of tilt boundaries was found at high temperatures, which also affected the migration behavior. The results compare well with experimental results of the motion high-angle boundaries, but for low-angle boundaries, the agreement is poor.
引用
收藏
页码:1757 / 1771
页数:15
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