|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Hume-Rothery Award Symposium: Computational Thermodynamics and Its Implications to Kinetics, Properties, and Materials Design
||Computational Design of High Entropy Alloys: CALPHAD and Atomistic Simulation
||Won-Mi Choi, Byeong-Joo Lee
|On-Site Speaker (Planned)
High-entropy alloys (HEAs) are attracting an explosive academic interest with promising and unique properties as structural materials. Particularly, the CoCrFeMnNi HEAs are reported to possess an excellent balance between strength and ductility, corrosion resistance and thermal stability. However, the materials property of the equiatomic CoCrFeMnNi alloy can be further improved by adjusting the composition or introducing new elements.
In the present talk, an alloy design procedure to improve the strength of the alloy will be outlined. The CALPHAD computational thermodynamics technique is used to predict the fcc single phase region in the multi-component system. Atomistic simulation based on a newly developed (semi-)empirical interatomic potential is used to estimate the effect of individual elements on the critical resolved shear stress of multi-component fcc alloy crystals. An experimental validation of the computational approaches will also be presented.
||Planned: Supplemental Proceedings volume