Transport coefficients and validity of the Stokes-Einstein relation in metallic melts: From excess entropy scaling laws

Abstract

Using the pair correlation function obtained via square well (SW) model [Mishra et al., 2015 Chem. Phys. 457 13], we calculate the pair excess entropy of liquid metals and determined the diffusion coefficients via Dzugutov’s excess entropy-diffusivity scaling relation. Further, the applicability of the Stokes-Einstein relation for SW potential is validated by comparing the computed shear viscosity coefficients (ηV) of liquid metals with the available experimental data. Reduced ηV of considered systems has been derived and scaled with the excess entropy. We compute isothermal compressibility, surface tension and surface entropy of the investigated liquids by using diffusion coefficient data obtained from excess entropy scaling law. It is found that the computed values are in good agreement with the corresponding experimental data. Thus, we demonstrate that the Dzugutov scheme can be applied successfully to SW liquid metals to correlate their microscopic structural functions with their surface and thermodynamic properties.