Molecular-dynamics Simulations of Carbon Ordering in bcc Fe and its impact on martensite transition

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Abstract

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.

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Chirkov, P. V., Mirzoev, A. A., & Mirzaev, D. A. (2015). Molecular-dynamics Simulations of Carbon Ordering in bcc Fe and its impact on martensite transition. Materials Today: Proceedings, 2, S553–S556. https://doi.org/10.1016/j.matpr.2015.07.345

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