Acta Phys. -Chim. Sin. ›› 2003, Vol. 19 ›› Issue (08): 681-685.doi: 10.3866/PKU.WHXB20030801

• ARTICLE •     Next Articles

Heating Rate Induced Melting and Superheating of Pb

Liu Xin;Meng Chang-Gong;Liu Chang-Hou   

  1. Department of Chemistry, Dalian University of Technology; School of Chemical Engineering, Dalian University of Technology, Dalian 116024
  • Received:2002-12-18 Revised:2003-02-27 Published:2003-08-15
  • Contact: Meng Chang-Gong E-mail:cgmeng@dlut.edu.cn

Abstract: Molecular dynamics simulations are employed to study heating rate induced superheating and melting behaviors of bulk Pb. Quantum Sutton-Chen many body potential is used for these simulations. The superheating and melting behavior are found to be strongly affected by the heating rate, the rapid the heating rate,the higher the melting temperature and there is an upper limit for the heating rate induce superheating. Stability study shows that heating rate induced randomization is the main reason to eliminate the energy barrier for phase transformation to occur. Not only Pb crystals but also Pb crystals with defects are studied. And the upper limit of heating rate induced superheating is determined to be around 780 K.

Key words: Molecular dynamics simulations, Melting, Superheating, Metal Pb