Partial structure factors and self-diffusion in liquid copper-lead alloys

Abstract

The three partial structure factors, S₁₁(k), S₂₂(k) and S₁₂(k) and also the Bhatia-Thornton structure factors, S_NN(k), S_CC(k) and S_NC(k) are computed for liquid copper-lead alloys at various concentrations and at different temperatures with a square-well potential. The total structure factor obtained from these partials compares satisfactorily with the experimental results. The isothermal compressibilities have been calculated from the partial structures in the long wave limit. The self-diffusion coefficients D_i have also been calculated at those concentrations of Cu for this alloy in the linear trajectory approximation of Helfand. From the self-diffusion coefficients, an estimate of the mutual diffusion coefficients is made to a good approximation.