Atomistic Simulations of grain boundary migration in copper
被引:26
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作者:
Schoenfelder, B.
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机构:Rhein Westfal TH Aachen, Inst Met & Met Phys, D-52056 Aachen, Germany
Schoenfelder, B.
Gottstein, G.
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机构:Rhein Westfal TH Aachen, Inst Met & Met Phys, D-52056 Aachen, Germany
Gottstein, G.
Shvindlerman, L. S.
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机构:Rhein Westfal TH Aachen, Inst Met & Met Phys, D-52056 Aachen, Germany
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
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2006年
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37A卷
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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.
机构:
Univ Petr & Energy Studies UPES, Sch Engn Appl Sci Cluster, Dept Phys, Dehra Dun 248007, IndiaUniv Petr & Energy Studies UPES, Sch Engn Appl Sci Cluster, Dept Phys, Dehra Dun 248007, India
Rawat, Nitin Kishore
Jain, Naman
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机构:
ABES Engn Coll, Dept Mech Engn, Ghaziabad, IndiaUniv Petr & Energy Studies UPES, Sch Engn Appl Sci Cluster, Dept Phys, Dehra Dun 248007, India
Jain, Naman
Mishra, Abhishek Kumar
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机构:
Univ Petr & Energy Studies UPES, Sch Engn Appl Sci Cluster, Dept Phys, Dehra Dun 248007, IndiaUniv Petr & Energy Studies UPES, Sch Engn Appl Sci Cluster, Dept Phys, Dehra Dun 248007, India
机构:
Nagoya Univ, Dept Mat Sci & Engn, Nagoya, Aichi, Japan
Osaka Univ, Dept Adapt Machine Syst, Osaka, JapanNagoya Univ, Dept Mat Sci & Engn, Nagoya, Aichi, Japan
Yokoi, T.
Yoshiya, M.
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机构:
Osaka Univ, Dept Adapt Machine Syst, Osaka, Japan
Japan Fine Ceram Ctr, Nanostruct Res Lab, Nagoya, Aichi, JapanNagoya Univ, Dept Mat Sci & Engn, Nagoya, Aichi, Japan