Vacancy-induced densification of silica glass

Abstract

We investigate vacancy-induced densification of silica glass using molecular dynamics simulations. Equilibration of defective glasses initially with various concentrations of vacancies yields glasses denser than the intact glass. The structural and vibrational properties of the densified glasses are characterized. Densification is related to structural changes induced by atomic rearrangement near vacancies, and increases with the concentration of vacancies. Vacancies may cluster and form voids, and the maximum densification for void-structured glasses occurs at a critical radius of about 0.44nm. The glasses densified by vacancies and by simulated UV-laser irradiation display nearly identical structural and vibrational properties. These results appear to support the Douillard–Duraud point defect model as a common mechanism for radiation densification of silica glass.