Abstract
Interatomic potentials for the Co–Ti and Co–V binary alloy systems have been developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potential formalism. Newly developed potentials reproduce various structural and thermodynamic properties of the binary alloys in reasonable agreement with experiments, first-principles calculations, and CALPHAD-type thermodynamic assessments. It is emphasized that these potentials can serve as groundwork for atomistic studies on the design of highly efficient trimetallic noble metal catalysts.
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