Structural phase transition and densification in lead silicate melt under high pressure

Structural phase transition and densification in lead silicate melt (Pb₂SiO₄) were investigated by molecular dynamics simulation. Visual analysis methods in 3D space were applied to clarify the short-range order and intermediate-range order. Structural characteristics, densification mechanism and phase transformation were determined via pair correlation function, local structure environment, glassy network topology as well as their change under pressure. The size distribution of clusters, microphase separation as well as compositional and structural heterogeneities are also investigated and discussed in detail. (author)