Ab initio simulations of the electrical and optical properties of shock-compressed SiO2 -: art. no. 165108

We calculate the optical properties of shock-compressed silica up to a pressure of 1200 GPa using ab initio molecular-dynamics simulations. The calculations show a significant rise in conductivity and reflectivity as both the pressure and temperature increase. This smooth increase in reflectivity up to a pressure of 500 GPa as well as the saturation value of about 35% given by the simulations are in near perfect agreement with recent shock compression measurements. The constituency analysis performed suggests that this increase in both conductivity and reflectivity can be attributed to the dissociation of molecular systems in the fluid.