Static and dynamics mapping of energy landscape in potassium-silicate glass structure

The structure of 5K2O · 85SiO2 (K05) and 15K2O · 75SiO2 (K15) glasses were obtained with help of molecular dynamics method. The relation between the glass structure in the vicinity of potassium ions and the potential-energy hypersurface was studied by means of the static and the dynamic approaches. The energy maps of ions in open and closed sites are presented up to 3.5 Å. Calculated activation energy distributions were compared for case of static and dynamic approaches and both glasses. The dynamic approach significantly decreased the activation energy due to the enabled relaxation of the surrounding glass. However, due to the neglecting of correlations in potassium transport the mean activation energy of potassium is still higher in glass with higher alkali content (K15).