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Meeting 6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
Symposium 6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
Presentation Title Exploring the Vast Refractory-HEAs Composition Space: CALPHAD Database Development and Alloy Optimization
Author(s) Aurelien Perron, Joel Berry, Brandon Bocklund, Richard Otis, Alexander Landa, Charles Tong, Amit Samanta, Hunter Henderson, Zachary Sims, Thomas Voisin, Scott McCall, Joseph McKeown, Vincenzo Lordi
On-Site Speaker (Planned) Aurelien Perron
Abstract Scope Refractory high-entropy alloys (RHEAs)–encompassing refractory multi-principal element and complex concentrated alloys–are gaining attention as structural materials due to their promising high-temperature properties. However, the fundamental understanding of the complex behavior of RHEAs remains unclear, leading to inefficient design of new high-performance RHEAs. One criterion to be considered during alloy optimization is the phase stability (solid solutions, long/short-range order, miscibility gap, Laves phases, etc.), since properties stem from microstructure and thus phase composition of the alloy. We will present CALPHAD assessments with uncertainty quantification of binary systems from groups 5-6 elements {V, Nb, Ta, Mo, W} based on literature review and new experimental and ab initio data. Extrapolations to multicomponent systems for RHEAs will be discussed with a focus on bcc miscibility gaps and ordering. Finally, TAOS (The Alloy Optimization Software) will be presented, with RHEA optimization used as a case study. Prepared by LLNL under Contract DE-AC52-07NA27344.
Proceedings Inclusion? Definite: Other

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