“…Phase transition under high pressures has been attracting a great interest in condensed matter physics (Duvall and Graham, 1977;Kadau et al, 2002;Takahashi and Bassett, 1964), geophysics (Coppari et al, 2013;Shen et al, 2016), materials science (Li et al, 2014;Talonen and Hä nninen, 2007) and engineering mechanics (Guthikonda and Elliott, 2013). Recent breakthrough on the ultrafast X-ray diagnostics (Denoeud et al, 2016;Milathianaki et al, 2013) under dynamic loadings has prompted a renewed interest in phase transformation of iron from α (bcc) to ε (hcp) phase which is a prototype of martensite phase transition under high pressures. In the past thirty years, mechanical behaviors of materials exhibiting martensite phase transition have been simulated with methods at different hierarchical levels from macroscopic phenomenological models to microscopic-mechanism-based models.…”