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物理学报. 2004, 53(8): 2497-2502.
doi: 10.7498/aps.53.2497.
大角度Cu晶界在升温、急冷条件下晶界结构的分子动力学研究
- 收稿日期: 2003-06-24
- 修回日期: 2003-12-11
- 刊出日期: 2004-08-16
English Abstract
Molecular dynamics study of the structure changes in a high-angle Cu grain boundary by heating and quenching
- Received Date:
24 June 2003
- Accepted Date:
11 December 2003
- Published Online:
16 August 2004
Abstract: The structure changes of a Cu Σ=5（310）/［001］ symmetrical tilt grain boundary are investigated using the molecular dynamics method by heating and quenching. The simulated results showed that with increasing temperature,there are structure changes of the grain boundary. At a temperature significantly below the bulk melting point of copper,the grain boundary undergoes a structure change,and there exists the crystal-melt coexistence in the grain boundary zone. The grain boundary structures can be changed by quenching,which are compared to those at the same temperatures by heating.
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Keywords:
- molecular dynamics /
- grain boundary /
- melt /
- solidification
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