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Local Order Average-Atom Interatomic Potentials

Zeller, Chloe A. et al.
arXiv (All) · Papers
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computational-physicsmaterials-science
This article describes an extension to the effective Average-Atom (AA) method for random alloys to account for local ordering (short-range order) effects by utilizing information from partial radial distribution functions. The new Local Order Average-Atom (LOAA) method is rigorously derived based on
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