Dynamical singularity of the glass transition in molten lithium iodide

Abstract The liquid-glass transition in molten lithium iodide has been investigated by means of constant-pressure and constant-temperature molecular dynamics. Both static and dynamic properties were calculated, with a microscopic analysis of the ionic motions. In the vicinity of the glass transition, the mean-square displacement shows a non-linear time dependence and the incoherent scattering function is well fitted by a ‘stretched exponential’ function. The maximum value of the non-Gaussian parameter increases drastically on approaching the glass transition. The glass transition temperature is estimated by trapping diffusion theory.