| Abstract Scope |
Refractory multicomponent alloys with a BCC/B2 microstructure have emerged as promising candidates to push the temperature limits of current Ni-based superalloys. Realizing this potential requires resolving two key questions: whether the B2 phase can form among refractory elements, and whether the resulting microstructure provides the desired balance of high-temperature strength and room-temperature ductility. This talk presents the computational component of an integrated computational/experimental effort to address these questions. Using the Multi-Cell Monte Carlo method, we explore the vast composition space to identify B2-forming chemistries and guide experimental synthesis. We then develop machine-learning interatomic potentials, for a carefully selected subset of these alloys, to simulate dislocations and understand the deformation mechanisms in the BCC/B2 alloys. These insights provide mechanistic understanding that complements experimental characterization and feeds directly into alloy design iterations, enabling predictive, physics-based pathways towards design of new high-temperature materials. |