CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2001, Vol. 18 ›› Issue (4): 356-359.

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MOLECULAR DYNAMICS SIMULATIONS OF THE CRYSTALLIZATION OF LIQUID Au AND Ag

GUAN Li, WU Ai-ling, ZHANG Xiao-ru   

  1. College of Physics and Microelectronics, Shandong University, Jinan 250061, P R China
  • Received:1999-12-21 Revised:2000-05-18 Online:2001-07-25 Published:2001-07-25

Abstract: Based on many body potential model,the crystallizing processes of Au and Ag are investigated by means of molecular dynamics simulation technique.The pairs analysis method is applied to compare the difference of the local symmetry of molecular cluster between both atoms.In the process of crystallization, the rebuild of the local cluster and the transformation of pairs is found to be from 1661、1441 to 1421、1422.The other important information given is about the microstructure of Au,Ag.

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

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