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Bond-order bond energy model for alloys

Oberdorfer, C; Windl, W

Windl, W (reprint author), Ohio State Univ, Dept Mat Sci & Engn, 116 W 19Th Ave, Columbus, OH 43210 USA.

ACTA MATERIALIA, 2019; 179 (): 406

Abstract

We introduce a novel way to parameterize alloy energies in the form of a bond-order bond energy model. There, a bond order function models the transit......

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