COMPARISON BETWEEN BULK AND SURFACE SELF-DIFFUSION CONSTANTS OF SI AND O IN VITREOUS SILICA

The molecular dynamics (MD) computer simulation technique offers a method for studying the v- SiO//2 surface at an atomic level. In this article, this technique was used to simulate the motion of atoms in a pristine v-SiO//2 surface using a fifth order Nordsieck algorithm. A modified Born-Mayer-Huggins potential was used as the effective pairwise potential.