|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||High Entropy Alloys VI
||Effect of Extreme Chemical Disordering on Vacancies in a High Entropy Alloy
||Congyi Li, George Malcolm Stocks, Brian Wirth, Steve Zinkle
|On-Site Speaker (Planned)
Thanks to their promising mechanical properties, high entropy alloys (HEAs) are potential candidates for applications in nuclear energy systems. It is hypothesized that radiation resistance of HEAs is closely related to their extreme chemical disordering. Nevertheless, only limited theoretical work has been conducted to understand the effect of extreme chemical disordering on defects, which are crucial to both HEA’s radiation effects and diffusion kinetics. In this study, ab initio modeling is utilized to compute properties of vacancy-type of defects in CrMnFeNi HEA. Our calculation results suggest that magnetic interaction may not be as crucial as chemical disordering at elevated temperature. Vacancy formation energy is found to be weakly dependent upon the chemical identities of the removed atoms. Vacancy migration energies are also calculated, and these parameters will be ultimately used in a kinetic Monte Carlo model for single vacancy kinetics in a HEA lattice, providing insights on HEA diffusion mechanisms.
||Planned: Supplemental Proceedings volume