Nonlocality and the energy of alloy formation

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, , Citation J A Alonso and L A Girifalco 1978 J. Phys. F: Met. Phys. 8 2455 DOI 10.1088/0305-4608/8/12/007

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1 Dept. of Metallurgy & Materials Sci., Univ. of Pennsylvania, Philadelphia, PA, USA

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0305-4608/8/12/2455

Abstract

It is demonstrated that, in order to account for alloy formation, nonlocal terms are needed in the energy density functional. A practical method to compute the heat of formation is presented, and connection is made with the empirical formula of Miedema et al. (1973).

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