|About this Abstract
||2020 TMS Annual Meeting & Exhibition
||High Entropy Alloys VIII
||J-67: The Prediction of Enthalpy and Elastic Properties of Fe-Cr-Co-Ni High Entropy Alloys by Using First Principles Methods
||Songge Yang, Mohammad Asadikiya, Vadym Drozd, Yu Zhong
|On-Site Speaker (Planned)
Equiatomic FeCrCoNi high entropy alloys (HEAs) have been studied extensively in the past decade, not only because of its special properties like high tensile ductility and fracture toughness but also because it is considered as a foundation system for the development of FeCrCoNi-based HEAs. In the project, the first principles calculations are proceeded to predict the elastic properties and enthalpy formations of fcc and bcc Fe-Cr-Co-Ni HEA single crystals by using special quasirandom structure (SQS) approach. The predictions will start with binaries of Fe-Cr-Co-Ni system and will be continued with ternaries and finally quaternary. After that, based on the calculation results from first principles, the CALPHAD-type descriptions for enthalpy and elastic moduli in Fe-Cr-Co-Ni system with full compositions range will be constructed.
||Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume