Analysis of the Effective Interatomic Interactions in Metallic Alloys

ANALYSIS OF THE EFFECTIVE INTERATOMIC INTERACTIONS IN METALLIC ALLOYS 

Na Slovance 2, 180 40 Praha 8, Czech Republic Institute of Technical Electrochemistry, Technical University Vienna, 

It turns out that for some systems the GPM yields the pair interactions, particularly those between first neighbors, which do not correspond to experimental phase diagrams. It is the purpose of the present work to show some of these cases and make a comparison with results obtained by other methods, particularly by the CWIS. 

Let us consider a binary system A — B. Its particular configuration is determined by a set of occupation indices rji, where rji = 1 if the site i is occupied by an atom of the type A, and r = 0 otherwise. This form corresponds to the lattice gas model. The effective concentration-independent Islng Hamiltonian reads 

Eq is the total energy per atom of the pure system B, and V, T, (J, etc., denote the interactions of a pair, triplet, quadruplet, etc. of atoms, respectively. The other form, explicitly dependent on the concentration c can be written as 

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