S.J. Zhao
,
Y.C. Wang
,
J.Q. You
,
Q.B. Yang
,
L.G. Zhou and H.Q. Ye (Department of Physics
,
Xiangtan University
,
Xiangtan 411105
,
China)(Laboratory of Atomic Imaging of Solids
,
Institute of Metal Research
,
The Chinese Academy of Sciences
,
Shenyang 110015
,
China)(Department of Materials Science
,
Northeastern University
,
Shenyang 110006
,
China)
金属学报(英文版)
A structural transition in the fcc ∑=5 (120)/[001] high-angle tilt grain-boundary(GB)is investigated by molecular-dynamics simulation. The calculations have been performed at various temperutures and the thermodynamic melting point Tm of the model system is determined by using a many-body potential fitted to copper. A thermal disorder transition in the GB region occurs well below the melting point. Our results indicate that such a transition is a continuous process and there is no evidence of premelting, which is entirely in accord with experiment results and theoretical prediction.Moreover we also observed that melting initiated at the interface and then propagated into the bulk quickly at or above Tm.
关键词:
moleculandynamics
,
null
,
null
