|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Advances in Multi-Principal Elements Alloys X
||Developing Interatomic Potentials for High Entropy Alloys
||Diana Farkas, Alfredo Caro
|On-Site Speaker (Planned)
We discuss the development of Embedded Atom Method (EAM) model interatomic potentials is presented to represent a high entropy alloy with five components. The set is developed to resemble but not model precisely FCC near equiatomic mixtures of FCC complex alloys. The individual components have various atomic sizes and the heats of mixing of all binary equiatomic random FCC mixtures are also varied. We discuss cases that predict the random equiatomic FCC quinary mixture to be stable with respect to phase separation or ordering as well as cases where the precipitation of ordered phases is expected. The talk will discuss examples of the use of the potentials to better understand the role of compositional complexity in the mechanical and radiation resistance response of these complex alloys.
||Computational Materials Science & Engineering, High-Entropy Alloys, Modeling and Simulation