Comparative studies of role of different structure factors in various physical properties of some simple liquid metals

Abstract

In the current work, the comparison of the structure factors and pair correlation functions produced by using eight different theoretical models based on the Perckus-Yevick Hard Sphere (PYHS), Hard Sphere Yukawa (HSY), Mean Spherical Approximation (MSA), Generalized Mean Spherical Approximation (GMSA), Soft Sphere (SS), One-Component Plasma (OCP), Optimized Random Phase Approximation (ORPA) and Charged Hard Sphere (CHS) models for liquid metals viz. Li, Na, K, Rb, Cs, Mg, Zn, Ca, Al, Ga, In, Pb, Sn, Bi and Sb are carried out. Our own model potential is used with the Taylor (TY) screening function in the present computation. With this, certain physical properties such as electrical transport (electrical resistivity), vibrational property (phonon dispersion), dynamical property (velocity autocorrelation function (VACF)) and static (long wavelength of structure factor) properties has also been calculated. When the several theoretical models of the structure factors of the researched simple liquid metals are compared, it is discovered that the experimental data is consistent and in good agreement with the theoretical models.