物理化学学报 >> 1995, Vol. 11 >> Issue (08): 755-757.doi: 10.3866/PKU.WHXB19950818

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液态金属结构变化的分子动力学模拟研究

刘让苏,周群益,李基永   

  1. 湖南大学应用物理系|化学化工系|长沙 410012
  • 收稿日期:1994-09-07 修回日期:1994-11-07 发布日期:1995-08-15
  • 通讯作者: 刘让苏

A Molecular Dynamics Simulartion Study on the Structural Transitions in Liquid Metals

Liu Rang-Su,Zhou Qun-Yi,Li Ji-Yong   

  1. Department of Physics,Department of Chemistry,Hunan University,Changsha 410012
  • Received:1994-09-07 Revised:1994-11-07 Published:1995-08-15
  • Contact: Liu Rang-Su

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关键词: 液态金属, 结构转变, 分子动力学模拟

Abstract:

In this paper, a simulation study on the structural transitions of liquid metal Al at high temperature has been made by molecular dynamics (MD) method. It is demonstrated that with the increase of temperature, various types of bond have different variation rules, the numbers of the bonds related to the structures possessing high degree of order are decreased, namely, the degree of disorder of the system is increased. However, even the temperature is increased to 1773K (1.9Tm) the number of bonds being in nearly free state in the system is still only 8% of the total number of bonds.

Key words: Liquid metal, Structural transition, Molecular dynamics simulation