Wang Hailong, Wang Xiuxi, Liang Haiyi. Molecular Dynamics Simulation of Crystallizing and Vitrifying Processes for Metal Cu[J]. Chinese Journal of Chemical Physics , 2005, 18(6): 987-992. doi: 10.1088/1674-0068/18/6/987-992
Citation: Wang Hailong, Wang Xiuxi, Liang Haiyi. Molecular Dynamics Simulation of Crystallizing and Vitrifying Processes for Metal Cu[J]. Chinese Journal of Chemical Physics , 2005, 18(6): 987-992. doi: 10.1088/1674-0068/18/6/987-992

Molecular Dynamics Simulation of Crystallizing and Vitrifying Processes for Metal Cu

doi: 10.1088/1674-0068/18/6/987-992
Funds:  Project supported by the National Natural Science Foundation of China (10172081).
  • Received Date: 2004-12-29
  • A series of simulations of the crystallization and vitrification processes for metal Cu were carried out by means of the molecular dynamics technique. The radial distribution function, common neighbors, internal energy and volume of the system were recorded during the processes. The atomic internal energy, atomic Voronoi volume and atomic stress field of the relax system were analyzed at zero temperature. The interaction between atoms in the system is described using the embedded atom potential as proposed by Mishin. The simulation results show that crystalline and non-crystalline phases form at lower and higher cooling rates respectively. In comparison to nanocrystals, it is found that metallic glass has higher internal energy and larger volume. The intrinsic stress field is induced by distortion of the lattice.
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Molecular Dynamics Simulation of Crystallizing and Vitrifying Processes for Metal Cu

doi: 10.1088/1674-0068/18/6/987-992
Funds:  Project supported by the National Natural Science Foundation of China (10172081).

Abstract: A series of simulations of the crystallization and vitrification processes for metal Cu were carried out by means of the molecular dynamics technique. The radial distribution function, common neighbors, internal energy and volume of the system were recorded during the processes. The atomic internal energy, atomic Voronoi volume and atomic stress field of the relax system were analyzed at zero temperature. The interaction between atoms in the system is described using the embedded atom potential as proposed by Mishin. The simulation results show that crystalline and non-crystalline phases form at lower and higher cooling rates respectively. In comparison to nanocrystals, it is found that metallic glass has higher internal energy and larger volume. The intrinsic stress field is induced by distortion of the lattice.

Wang Hailong, Wang Xiuxi, Liang Haiyi. Molecular Dynamics Simulation of Crystallizing and Vitrifying Processes for Metal Cu[J]. Chinese Journal of Chemical Physics , 2005, 18(6): 987-992. doi: 10.1088/1674-0068/18/6/987-992
Citation: Wang Hailong, Wang Xiuxi, Liang Haiyi. Molecular Dynamics Simulation of Crystallizing and Vitrifying Processes for Metal Cu[J]. Chinese Journal of Chemical Physics , 2005, 18(6): 987-992. doi: 10.1088/1674-0068/18/6/987-992

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