A practical method to determine glass transition temperature in molecular dynamics simulation of mixed ionic glasses

A practical method to determine glass transition temperature Tg in molecular dynamics (MD) simulation is proposed. The method is applied for a fluorozirconate glass under various pressures. The values of Tg are `kineticallyʹ determined as the temperature at which the arrested time of constituting ions reaches to a predefined value. The arrested time is estimated as the time at which the mean-square displacement (MSD) exceeds a predefined value. The scatter of `kineticʹ Tg is obviously smaller than that of `thermodynamicʹ Tg. The present method is practically useful in order to determine Tg in the MD simulations of multi-component ionic glasses.