Molecular-dynamics Simulations of Carbon Ordering in bcc Fe and its Impact on Martensite Transition

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• 作者：P.V. Chirkov ; ^{p.chirkov@physics.susu.ac.ru" class="auth_mail" title="E-mail the corresponding author} ; A.A. Mirzoev ; D.A. Mirzaev
• 关键词：molecular dynamics ; martensite tetragonality ; order-disorder transition
• 刊名：Materials Today: Proceedings
• 出版年：2015
• 出版时间：2015
• 年：2015
• 卷：2
• 期：supp_S3
• 页码：S553-S556
• 全文大小：287 K

文摘

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.