Sodium ion diffusion in a sodium silicate glass (22Na2O-53SiO2) was studied using molecular dynamics. The sodium diffused by hopping from one interstitial site to another. Reliable sodium diffusion coefficients and activation energies were determined at high temperatures. These were in good agreement with those extrapolated from experimental data. It was suggested that simple Born-Mayer potentials for describing ionic bonding could be used for estimating transport properties.

Sodium Diffusion in Alkali Silicate Glass by Molecular Dynamics. Soules, T.F., Busbey, R.F.: The Journal of Chemical Physics, 1981, 75[2], 969-75