Molecular dynamics simulation of Li-Mg and Li-Na alloys

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