|About this Abstract
||3rd World Congress on High Entropy Alloys (HEA 2023)
||Computational Discovery of B2 Phases in the Refractory High Entropy Alloys
||Junxin Wang, Maryam Ghazisaeidi
|On-Site Speaker (Planned)
The Multi-Cell Monte Carlo method for phase prediction for multicomponent alloys has demonstrated great potential in simulating coexisting phases in many-component crystalline systems. To find potential B2 structures in high entropy alloys, this method is applied to composition space, spanning through the refractory element range in the periodic table. First, we explore the refractory elements with BCC ground state structures (MoNbTaWV) and then the ones with HCP ground state structures (TiZrHfOsReRu). Ordered structures are found in both systems and their thermal stability are analyzed. We further look into the combination of all the refractory elements (both HCP and BCC elements) and try to identify the most possible groups to form a B2 structure.
||Planned: Metallurgical and Materials Transactions