Authors: V.M. Burlakov, A.P. Sutton, G.A.D. Briggs and Y. Tsukahara
Affilation: University of Oxford, United Kingdom
Pages: 95 - 97
Keywords: Monte Carlo simulation, amorphous silica, porosity, radial distribution function, bond angle distribution function
Monte Carlo simulation of deposition of amorphous SiOx layer on a polymer surface is reported. The model developed is based on the network properties of silica and takes into account dangling bonds arising during the real process of deposition. Porosity of the simulated amorphous layer is characterized by the porous relative volume and relation of the porous surface to their volume. The results are presented for different nucleation sites densities (NSD) on the polymer surface and for various energies of arriving Si and O atoms. We found the porosity decreases as the NSD increases. At low NSD values < 1 site/nm2 porosity can be remarkably decreased by an increase of the energy of deposited particles.