Study of mechanical properties and subsurface damage of quartz glass at high temperature based on MD simulation

Abstract

The mechanical properties (hardness, elastic modulus) and subsurface damage of quartz glass at high temperature are studied by nanoindentation simulation based on molecular dynamics (MD). By heating the quartz crystal model to 3000[Formula: see text]K and annealing to 300[Formula: see text]K twice, the quartz glass model is prepared. According to the nanoindentation simulation results, the hardness of quartz glass decreases by 53.6% and the elastic modulus increases by 10.9% at 1500[Formula: see text]K compared to those at 300[Formula: see text]K. When the temperature rises from 300[Formula: see text]K to 1500[Formula: see text]K, the critical grinding depth of quartz glass increases from nanoscale to micron-scale. The investigation of subsurface damage shows that the damaged layer thickness decreases slightly with the increase of temperature. The damaged layer extends downward under the indenter at lower temperature and extends along the indenter at higher temperature.