Self-intermediate scattering functions of the two ionic species in CuI and CuCl, as well as the corresponding self-dynamic structure factor, were calculated using molecular dynamics simulations. The self-dynamic structure factors in molten KCl and RbCl were also calculated. Self-diffusion in these two alkali halides was compared with that in systems where the size difference played an important role.

Space-Dependent Self-Diffusion Processes in Molten Copper Halides: a Molecular Dynamics Study. Alcaraz, O., Trullàs, J.: Journal of Chemical Physics, 2001, 115[15], 7071-5