Kinetic Monte Carlo simulation of chemical short-range order formation kinetics in high-entropy alloys


Authors:Jun-Ping Du, Yangen Li, Yuki Asazu, Jumpei Nakamura, Yiwen Fan, Heting Liao, Shuhei Shinzato, Yuji Sato, Peijun Yu, Shigenobu Ogata

Affiliation:Graduate School of Engineering Science, Osaka university

Abstract:In this study, we designed a simulation framework to obtain the time–temperature–CSRO degree (TTC) diagram in HEAs using the kinetic Monte Carlo (kMC) method based on the assumption of the vacancy diffusion dominated CSRO formation process.


Publication related to your research
(Journal paper)

  • Z. Shen, J.-P. Du, S. Shinzato, Y. Sato, P. Yu, S. Ogata, “Kinetic Monte Carlo simulation framework for chemical short-range order formation kinetics in a multi-principal element alloy”, Computational Materials Science, 198 (2021), 110670.


Posted : March 01,2022