Dominant-pair free energy model reduces multicomponent B2 ordering to a pseudo-binary Bragg-Williams system and achieves 77.9% accuracy on a three-class phase prediction task using 269 experimental samples, outperforming the valence electron concentration criterion.
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Dominant-pair free energies predict phase selection in high-entropy alloys
Dominant-pair free energy model reduces multicomponent B2 ordering to a pseudo-binary Bragg-Williams system and achieves 77.9% accuracy on a three-class phase prediction task using 269 experimental samples, outperforming the valence electron concentration criterion.