Molecular dynamics simulations on surface properties of silicon dioxide melts

In the present thesis the surface properties of a silicon dioxide melt were studied. As first systems drops (i.e. sytems without periodic boundary conditions) of N=432, 1536, as well as 4608 atoms were considered. The second analyzed geometry corresponds to that of a thin film, i. e. periodic boundary conditions in x- and y-direction were present, while in z-direction one had a free surface. In this case a system of N=1152 atoms was considered. As model potential the two-body potential proposed by Beest, Kramer, and van Santen was applied. For both geometries five temperatures were considered, which lied in the range of 3000 K<T<4700 K for the drops and 3400 K<T<5200 K for the thin film