The glass transition in a model silica glass: evolution of the local structure

We use molecular dynamics simulations and the Voronoi tessellation to study the geometrical modifications as a function of temperature in a model sili ca glass. The standard deviation of the cell volumes, which is a measure of the local density fluctuations, decreases with decreasing temperature, as if it would like to vanish at zero temperature. This evolution towards an o rdered state is frozen out at the grass transition and consequently an amor phous sample is obtained at low temperature. This structural freezing follo wing upon the glass transition is noticeable in all the other geometric cha racteristics of the Voronoi' cells and a possible interpretation in terms o f geometrical frustration is proposed.