|About this Abstract
||1st World Congress on High Entropy Alloys (HEA 2019)
||High Entropy Alloys 2019
||Emerging Computational Tools for Exploring the Refractory Compositionally Complex Alloys
||Christopher F. Woodward, Satish I. Rao, Edwin Antillon, A Brahim, Triplicane A. Parthasarathy, Daniel B. Miracle, Oleg N. Senkov
|On-Site Speaker (Planned)
||Christopher F. Woodward
We review a range of computational methods for predicting fundamental properties and mechanisms controlling material response in Refractory Compositionally Complex alloys. A spreadsheet model of expected density, atomic size difference, mixing enthalpy, melting temperatures, cost, and CALculation of PHAse Diagram predictions of equilibrium phases can be used to narrow the pallet of possible elements for a specific application. Electronic structure methods can also be used to predict mean field properties such as elastic constants, as well as insights into deformation mechanisms. Atomistic methods have been used to better understand deformation over a wide range of temperatures, the role of chemical short range order, and inform analytic solution strengthening models. Also, new approaches for predicting phase stability for wide range of compositionally complex alloys are in development.