The Study of Dynamics Heterogeneity in SiO2 Liquid

Abstract

A molecular dynamics simulation has been carried out to investigate the dynamics heterogeneity SiO2 liquid at 2600 K and ambient pressure. We indicate that the diffusion in the liquid is realized by the rate of effective reaction, SiOx®SiOx’ and OSiy®OSiy’. Moreover, the reactions are non-uniform happened, but they are spatially clustered. In addition, we found the clustering from different sets of atoms specified by the mobility of atom or frequency of reactions. We found that the clustering become more pronounced at ambient pressure. This evidences the dynamics heterogeneity in the SiO2 liquid.

Keywords

• wolf pack algorithm
• improvement
• adaptive
• levy flight
• structural optimization.