MOLECULAR DYNAMICS MODELLING OF LIFETIME AND DECAY OF METASTABLE CRYSTALS UNDER SUPERHEATING OR STRETCHING
In this work we consider the decay and stability boundary of metastable defect-free Lennard-Jones crystal. The developed approach allows us to calculate the lifetime of the metastable phase via molecular-dynamics simulation. We apply our approach to both types of metastable solid: superheated and stretched. Homogeneous nucleation of melt and voids is examined. The temperature dependence of nucleation rate is calculated and kinetic limit of stability is estimated. The results are compared with the recently published experimental-based solid Ar spinodal.
A. YU. KUKSIN G. E. NORMAN V. V. STEGAILOV
Institute for High Energy Densities of Russian Academy of Sciences,IHED-IVTAN, Izhorskaya, 13/19, Moscow 125412, Russia
国际会议
The Joint Conference of ICCP6 and CCP2003(第6届国际计算伦理会议)
北京
英文
126-129
2004-05-23（万方平台首次上网日期，不代表论文的发表时间）