Frequency dependent specific heat of amorphous silica: A molecular dynamics computer simulation

Abstract

We use molecular dynamics computer simulations to calculate the frequency\ndependence of the specific heat of a SiO_2 melt. The ions interact with the BKS\npotential and the simulations are done in the NVE ensemble. We find that the\nfrequency dependence of the specific heat shows qualitatively the same behavior\nas the one of structural quantities, in that at high frequencies a microscopic\npeak is observed and at low frequencies an alpha-peak, the location of which\nquickly moves to lower frequencies when the temperature is decreased.\n