Verification of the Stokes-Einstein relation in liquid noble metals over a wide range of temperatures

The validity of Stokes-Einstein (SE) relations in liquid noble metals namely Cu, Ag and Au over a wide temperature range has been studied using Dzugutov's scaling scheme and Faber's hard-sphere (HS) theory of transport coefficients. Basic ingredients of those theories are the temperature-dependent effective HS diameter and excess entropy. To determine them, we have applied variational modified hypernetted chain theory in conjunction with effective interionic interaction derived from embedded atomic method (EAM) with both temperature-dependent and independent adjustable parameters a and b. Obtained ingredients using alpha(T) and b(T) are close to the available experimental data than those obtained using fixed a and b with an empirical relation. Calculated transport coefficients are in good agreement with experimental data when scaling scheme with alpha(T) and b(T) has been considered. Simplified SE relations from transport coefficients hold when scaling scheme has been applied with alpha(T) and b(T) and lies around the slip boundary line. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

The validity of Stokes-Einstein relations in liquid noble metals Cu, Ag, and Au over a wide temperature range has been studied using Dzugutov's scaling scheme and Faber's hard-sphere theory. The temperature-dependent effective hard-sphere diameter and excess entropy were determined, with results closer to experimental data when using alpha(T) and b(T). Calculated transport coefficients were in good agreement with experimental data when the scaling scheme with alpha(T) and b(T) was considered.