Interatomic Pair Potentials for Metallic Alloy Glasses

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Abstract
The derivation of interatomic potentials for metallic alloy glasses is discussed. First, a comparison is made between the derivation of the radial distribution function RDF (and its associated curves) and that of the interatomic pair potential ⊘(r), starting from the same structure factor S(Q). This comparison illustrates how different components of the S(Q) curve influence the course of the two derivations. A determination of the three interatomic pair potentials ⊘NiNi(r), ⊘ Nir (r), ⊘PP(r) for a Ni80P20 metallic glass is then given to illustrate the method. The use of such potentials in structural relaxation calculations is then discussed for both single component and binary cases. Comparison is made between calculated and experimental structure factor S(Q) curves with very encouraging results. Finally, the possible future extension of these calculations is examined.