Ordering potential and the structural properties of binary Yukawa mixtures

Abstract

The authors present the results of numerical calculations, in the mean spherical approximation (MSA), for model liquid binary alloys interacting via Yukawa potentials, namely phi ij(r)=Aijexp(- lambda r)/r. They have chosen parameters which allow the description of the structural properties of liquids Li-Na and Li-Pb at different concentrations and Li4Pb at three temperatures. They show: (i) that once the ordering potential, nu (r)=1/2( phi 11(r)+ phi 22(r)-2 phi 12(r)), is specified the total structure factor S(k), the concentration-concentration partial structure factor Scc(k) and the number-number partial structure factor SNN(k) are insensitive to changes in the pair interactions phi ij(r); and (ii) that the thermodynamic properties-specifically Scc(0) and the correlation energy-are sensitive to changes in phi ij(r).