Voronoi polyhedra analysis of MD simulated silicate glasses

The relationship between the volume and the surface of Voronoi polyhedra (VP) appeared to be an effective tool for the characterization of the structure of MD simulated silicate glasses. This feature was demonstrated on the series of binary potassium-silicate glasses with the alkali content ranging from 5 to 20 mol%. Moreover, the temperature dependence of the slope of the above dependence, when expressed for various types of central atoms (Si, O and K in our case) was studied. Each type of central atom is characterised by its own iron line linearly relating the volume of VP to its properly powered surface, so that new geometrical constrains to the VP was found.