|About this Abstract
||1st World Congress on High Entropy Alloys (HEA 2019)
||High Entropy Alloys 2019
||Lattice Distortion of High-entropy Alloys
||Michael C. Gao, Zongrui Pei, Chanho Lee, Peter K. Liaw, Mike Widom, Jeffrey Hawk, David Alman
|On-Site Speaker (Planned)
||Peter K. Liaw
Lattice distortion is one of the four core effects of high entropy alloys first envisioned by Prof. J.W. Yeh, and it plays a crucial role in intrinsic materials properties (physical, mechanical and environmental). This talk first reviews the current understanding of lattice distortion in the high entropy alloys community. The second part of the talk presents our ongoing computational modeling research to predict lattice distortion in a large number of “virtual” single-phase high entropy alloys in the structures of FCC, BCC and HCP using density functional theory. The atomic structures are generated using both special quasi-random structures and hybrid Monte Carlo/molecular dynamics. The effect of atomic position permutation is examined on example alloys. The relation between lattice distortion and electronic structures and elastic properties are discussed. Finally, the impact of lattice distortion on the intrinsic yield strength of materials is presented using continuum model and dislocation theory.