Abstract
The self-diffusion coefficients of the two ionic species in the melt are evaluated using the Green - Kubo formulae. The evaluation is based on a simple model wherein the dynamics of a two-component system is made use of, which relates the self-diffusion coefficients to the pair potential and partial structure factor of the melt through frequency sum rules of the velocity auto-correlation function. Results thus obtained convincingly explain the increase in difference between the two diffusion coefficients with increasing x as observed in a molecular dynamics study. This difference is explicitly related to the different structural back-scattering of ions influenced by their screening due to the presence of valence electrons.
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