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Molecular dynamics simulations of the phase transformation from bodycentered-cubic (bcc) to face-centered-cubic (fcc) structures were performed. A Morse-type function was applied, and the parameters were determined so that both fcc and bcc structures were stable for the perfectcrystal model. When the fcc structure was superior to the bcc structure, the bcc model transformed to fcc. Two mechanisms, based on the Bain and Nishiyama-Wasserman (NW) relationships, were considered. Then, point ordoi:10.4236/msa.2019.109042 fatcat:v4kqizqhnbehlfhmttc3fgapya