Molecular-dynamics simulations of carbon ordering in bcc Fe and its impact on martensite transition
PV Chirkov and AA Mirzoev and DA Mirzaev, MATERIALS TODAY-PROCEEDINGS, 2, 553-556 (2015).
We study formation of tetragonal martensite in Fe-C system using methods of atomistic simulation - energy minimization and molecular dynamic simulations with embedded atom method (EAM) potentials developed by T.T. Lau. Employing this approach we compute the concentration dependence of the cubic-tetragonal transition temperature and the parameters of thermodynamic ordering theory. These results are consistent with previous works of C. Zener and A. Khachaturyan. (C) 2015 The Authors. Published by Elsevier Ltd.
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