CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2001, Vol. 18 ›› Issue (1): 67-71.

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MOLECULAR DYNAMICS SIMULATIONS OF SOLIDIFICATION OF LIQUID Ni3Al

GU Ting-kun1, QI Yuan-hua2, QIN Jing-yu3   

  1. 1. Key Laboratory for Liquid Structure and Heredity of Material, Ministry of Education, Jinan 250061, P R China;
    2. Department of Math and Physics, Shandong University of Technology, Jinan 250061, P R China3. College of Material Science and Engineer, Shandong Uniuersity of Technology, Jinan 250061, P R China;
    3. College of Material Science and Engineer, Shandong Uniuersity of Technology, Jinan 250061, P R China
  • Received:1999-10-15 Revised:2000-02-16 Online:2001-01-25 Published:2001-01-25

Abstract: By means of molecular dynamics simulation technique, the rapid solidification processes of Ni3Al are studied with many body potential as atomic interaction.The orientation order parameters and pair analysis technique are used to reveal the structural features, The calculated results indicate that the cooling rate is very important for the liquid Ni3Al solidifies.

Key words: F SN-body potential, liquid metal, molecular dynamics simulation

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