Dataset of sodium borosilicate glass properties from molecular dynamics simulations

Description

This dataset contains structural, thermophysical, and mechanical properties of SiO₂-B₂O₃-Na₂O glasses obtained from Molecular Dynamics simulations. This includes the population of the different structural glass-forming units, glass densities, enthalpies of mixing, elastic moduli (Young, bulk, and shear), and Poisson's ratio. The data cover the whole glass-forming composition space of the SiO₂-B₂O₃-Na₂O pseudo-ternary system with a constant composition increment of 5%. Two different empirical potentials were used in the simulations to assess the potential-dependent character of the observations. The dataset includes experimental values for the density and mechanical properties of several glass compositions gathered from the literature, which were used to quantify the validity of the two potentials.

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