SiO2–Na2O–B2O3 density: A comparison of experiments, simulations, and theory

Marina Barlet (1, 2) , Ali Kerrache (3) , Jean-Marc Delaye (3) , Cindy L. Rountree (2, 1)

1 SPCSI - Service de Physique et de Chimie des Surfaces et Interfaces
2 SPHYNX - Systèmes Physiques Hors-équilibre, hYdrodynamique, éNergie et compleXes
3 SECM - Service d'Etudes du Comportement des Matériaux de Conditionnement

This paper is devoted to a comparison of experimental, simulation, and theoretical results on the density of SiO 2 – B 2 O 3 –Na 2 O glasses. It is found that theoretical and simulation densities do compare favorably with experimental values yet simulations give a better estimate of the density of the samples. Furthermore, the structural make-up (i.e. types of borate and silicate units) of the ternary glasses and the volume of the elementary units have also been investigated with simulations and compared to theory.

Keywords: Sodium borosilicate glasses; Density; Molecular dynamics; Glass structure

Domains: Physics [physics]

Marina Barlet, Ali Kerrache, Jean-Marc Delaye, Cindy L. Rountree. SiO2–Na2O–B2O3 density: A comparison of experiments, simulations, and theory. Journal of Non-Crystalline Solids, 2013, 382, pp.32 - 44. ⟨10.1016/j.jnoncrysol.2013.09.022⟩. ⟨cea-01507179⟩