Acta Chimica Sinica ›› 2003, Vol. 61 ›› Issue (9): 1357-1361. Previous Articles     Next Articles

Original Articles

液铜快速冷却过程微观结构演变的计算机模拟

张弢;吴爱玲;管立;齐元华;徐昌业   

  1. 山东大学物理与微电子学院
  • 发布日期:2003-09-15

Molecular Dynamics Simulation in the Rapid Cooling Process of Liquid Cu

Zhang Tao;Wu Ailing;Guan Li;Qi Yuanhua;Xu Changye   

  1. School of Physics and Micro Electron, Shandong University
  • Published:2003-09-15

The molecular dynamics simulation has been adopted in the system consisting of 500 liquid Cu atoms and controlled by the period boundary condition at the rapid cooling rate of 4.2* 10~(13) K/s. The pair distributed function has been attained at different temperatures by means of Finnis-Sinclair N-body potential. The proportions of small atom groups of different types have been analyzed by adopting bond pair index method, and the important information of the microstructure transfer of the system has been obtained. The result of this simulation is perfect to the experiment. At the same time, the conclusion has been gained that the body center cubic structure can not be formed in the cooling process of liquid Cu system.

Key words: COPPER, COMPUTERIZED SIMULATION, INTERACTIONS, MICRO-STRUCTURE, DYNAMICS

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