Molecular Dynamics Simulation of Metal Cu During Melting and Crystallizing Process
- Received Date: 1999-11-15
- Molecular dynamics simulation, EAM potential function, Heating process, Cooling process, Liquid metal /
Abstract: By means of constant-temperature, constant-pressure molecular dynamics simulation tech-nique, the melting, process of the model system made of 864 Cu particles has been studied with the period boundary condition. The atoms interact via EAM potential function. In the heating process, the Cu system become the liquidat 1520K. The twodifferent coolingrateswere adopted inthesimulations, andthesystem became its crystalline state with the relatively slow cooling rate, while the glass transition of Cu systemwas performed withthe relativelyrapidcoolingrate. The changeof paircorrectionfunction, volumeof atom, in-ternal energy, and MSD were also studied with the heating and cooling process.
|Citation:||Wang Li, Bian Xiufang, Li Hui. Molecular Dynamics Simulation of Metal Cu During Melting and Crystallizing Process[J]. Chinese Journal of Chemical Physics , 2000, 13(5): 544-550. doi: 10.1088/1674-0068/13/5/544-550|