Simulations were used to study fast-ion conduction in solid SrCl2 over a range of temperatures and densities. The simulations were performed on a system of 324 ions, interacting via rigid-ion potentials. The anion diffusion constant increased from a very low value, to a value typical of molten salts, over a range of about 200K. This was in qualitative accord with experiment, but the predicted transition temperature was about 20% higher than the experimental one. Analysis indicated that diffusion occurred via discrete hops between normal lattice sites; the ion residence time being an order of magnitude greater than the flight time. The diffusion could be described in terms of the motion of vacancy and interstitial defects. The concentration of defects above the transition temperature was approximately 3% of vacancies per regular site.

Molecular Dynamics Simulation of Fast-Ion Conduction in SrCl2. I. Self-Diffusion. Gillan, M.J., Dixon, M.:  Journal of Physics C, 1980, 13[10], 1901-17