Space-dependent self-diffusion processes in molten copper halides: A molecular dynamics study

This work is concerned with single ion dynamics in molten copper halides (C uI and CuCl) which exhibit fast ionic conduction before melting. The self-d ynamic structure factor of the two ionic species in each melt have been cal culated by molecular dynamics simulations and the corresponding effective w avelength-dependent self-diffusion coefficients have been studied. The resu lts have been compared with those obtained for molten alkali halides (KCl a nd RbCl). (C) 2001 American Institute of Physics.