The structural and dynamical properties of aluminosilicate melts: Insight via molecular dynamic simulation

Abstract

Abstract We have studied the structural and dynamical characteristics of xAl2O3(1-x)SiO2 system by means of molecular dynamics simulation at 3000 K using the Born-Mayer potentials. The structural properties have been analysed through the radial distribution function and structural factor. The simulation shows that our results are in good agreement with previous experimental and simulated data. The dynamical heterogeneity (DH) is investigated via the analysis of mobile, immobile, and random atoms. Our simulation indicates that the liquids exists dynamical heterogeneity.