Statistical description of hydrodynamic processes in ionic melts while taking into account polarization effects

Abstract

A statistical description of hydrodynamic processes for molten salts is proposed taking into account polarization effects caused by the deformation of external ionic shells. This description is conducted by means of the Zubarev nonequilibrium statistical operator method, appropriate for researches of both strong and weak nonequilibrium processes. The nonequilibrium statistical operator and the generalized hydrodynamic equations that take into account the polarization processes are acquired for the ion-polarization model of ionic molten salts when the nonequilibrium averaged values of densities of ions number, their momentum, dipole momentum, and total energy are chosen for the reduced description parameters. A spectrum of collective excitations is investigated within the viscoelastic approximation for the ion-polarization model of ionic melts.

Ab initio study of collective excitations in a disparate mass molten salt

“…Polarization effects should play an important role in the mode contributions. 32 This can be illustrated by Fig. 1 where we show the partial S LiLi (k, ω) and total S tt (k, ω) dynamic structure factors (left frame) and concentration dynamic structure factor S cc (k, ω), obtained from AIMD data for wave-number k = 0.543 Å −1 .…”

Effect of ion polarization on longitudinal excitations in ionic melts

“…Recently, based on the polarizable point dipole model the spectrum of collective modes in ionic melts was theoretically investigated in the limit of small wave vector in Ref. 28 , where the contributions to acoustic collective excitations due to ion polarization were obtained.…”