Structure of lead-silicate glasses via constant-pressure MD simulations Original Research Article

The structure of lead-silicate glasses xPbO(1 − x)SiO2, and reduced lead-silicate glasses xPb(1 − x)SiO2 have been studied in a wide range of compositions (0.1 < x < 0.9), using the molecular dynamics method. Various radial distribution functions, and the first coordination numbers in their dependence on the glass stoichiometry are presented. The short-range structure in both reduced, and unreduced systems is discussed, and some conclusions about the long-range structure are mentioned. The calculated coefficients of the isothermal compressibility, and of the isothermal expansion are compared to the experimental data.