Structural properties of silica under the temperature

Abstract

The structure of the SiO2 system consisting of 12800 atoms is performed via molecular dynamics simulation with the Tersoff potential. Our simulation shows that the onset of the melting temperature is at 3450 K. This value is much higher than the previous result of Ringdalen and co-workers [26]. The structural evolution of the system is analyzed through the pair radial distribution function, the distribution of the bond length and the distribution of the bond angle. Structural parameters are compared with the previous experimental and simulated results. The mean square displacement is also discussed in this paper.