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| Molecular Dynamics Simulation and Analysis of Bulk and Surface Melting Processes for Metal Cu |
| WANG Hailong; WANG Xiuxi; LIANG Haiyi |
| CAS Key Laboratory of Mechanical Behavior and Design of Materials; University of Science and Technology of China; Hefei 230026 |
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Cite this article:
WANG Hailong; WANG Xiuxi; LIANG Haiyi. Molecular Dynamics Simulation and Analysis of Bulk and Surface Melting Processes for Metal Cu. Acta Metall Sin, 2005, 41(6): 568-572 .
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Abstract Molecular dynamics simulations of the bulk and surface melting processes
were performed for metal Cu. The variations of the structure and energy in
the system during bulk melting process were analyzed. The movement of the
solid/liquid interface position during surface melting process was
observed. The interaction between atoms in the system adopts the
embedded atom potential proposed by Mishin. The simulation results show
that the structure and energy in the system vary discontinuously at 1585 K
in bulk melting process and the solid/liquid interface remains
unchanged at 1380 K in the surface melting process. The different
mechanisms of the two melting processes induce lower thermodynamic
melting point (1380 K) than the bulk melting point (1585 K). Surface
melting is significant in real melting process, so the experimental
datum measured is the thermodynamic melting point. The simulated melting
point coincides well with the experimental one, thus it can be concluded that
the present melting point simulation method is correct and effective,
and the Mishin's embedded atom potential is suitable
for dealing with complicated and disordered systems.
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Received: 27 August 2004
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