|About this Abstract
||2020 TMS Annual Meeting & Exhibition
||High Entropy Alloys VIII
||First-principles prediction of the Phase Stability and Mechanical property of NbMoTaW High-entropy Alloy
||kaisheng Huang, Wen-Dung Hsu
|On-Site Speaker (Planned)
High-entropy alloy(HEA) is one of the most popular materials recently. It has received great interest worldwide owing to their exceptional mechanical properties compared to conventional alloys. The great properties of HEA depend on its characteristic of single phase solid solution. In general, people apply Special Quasi-random Structure(SQS) to simulate solid solution. However, we think the SQS is may not be experimentally. Therefore, we would like to discuss about how the atomic distribution of the NbMoTaW HEA has the lowest energy. We find there is indeed a structure with lower energy than SQS. In this work, we also calculate the mechanical properties of SQS and the most stable structure with first-principle density function theory(DFT).
||Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume