Insight into Microstructure of Lead Silicate Melts from Molecular Dynamics Simulation


Tran T.-N., Van Yen N., Van Dung M., Dung T.T., Van Van H., Vinh L.T.

Source title

Advances in Intelligent Systems and Computing

Publication year

In this study, the analysis on structure has been performed for lead silicate (PbSiO3) melt. The structural heterogeneity of the melt was analyzed via the void-simplex, cation-simplex and oxygen-simplex. The densification of the melt is obtained by decreasing the radius and changing the number of void-simplex. We show that a number of large interstitial site for oxygen and cation present in the liquid.