The investigation of dynamic heterogeneity in lead silicate liquid via molecular dynamic simulation

Abstract

Abstract The structure and dynamics of liquid lead silicate with a wide range of PbO ratio are done by molecular dynamics methods. The simulated result shows that the pair radial distribution functions (PRDFs) are in good agreement with the results of previous studies. Our calculated data indicates that the system exists regions of fast and slow atoms determined via the mean square displacement (MSD) in the same interval. The exhibition of dynamical heterogeneity (DH) is also found in this paper.