MOLECULAR-DYNAMICS SIMULATION OF LI-MG AND LI-NA ALLOYS

Static and dynamic properties of liquid Li-Mg and Li-Na alloys are cal culated by molecular dynamics (MD) simulation. As in recent studies of liquid Li, an interatomic potential with no adjustable parameters cal culated by the neutral pseudoatom method is used. Static structure fac tors obtained from the MD simulation are in agreement with available e xperimental data. In the case of Li-Na near the critical point, a tend ency to homocoordination is observed, Velocity autocorrelation functio ns and self diffusion coefficients are also analysed.