Space-dependent self-diffusion processes in molten copper halides: a molecular dynamics study
Tipus de documentArticle
Condicions d'accésAccés obert
This work is concerned with single ion dynamics in molten copper halides (CuI and CuCl) which exhibit fast ionic conduction before melting. The self-dynamic structure factor of the two ionic species in each melt have been calculated by molecular dynamics simulations and the corresponding effective wavelength-dependent self-diffusion coefficients have been studied. The results have been compared with those obtained for molten alkali halides (KCl and RbCl).
CitacióAlcaraz, O.; Trullas, J. Space-dependent self-diffusion processes in molten copper halides: a molecular dynamics study. "Journal of chemical physics", 2001, vol. 115, núm. 15, p. 7071-7075.