Tailoring sodium silicophosphate glasses containing SiO₆-octahedra through structural rules and topological principles

J Chem Phys. 2014 Sep 28;141(12):124506. doi: 10.1063/1.4896150.

Abstract

SiO4 tetrahedra in certain sodium silicophosphate glasses can be transformed into SiO6 octahedra that determine the macroscopic properties of silicophosphate glasses to a large extent. In this study, we develop the quantitative evolution rule of each network former. In addition, based on the underlying structure and topology, temperature-dependent topological constrain theory is used to elucidate the composition dependence of glass transition temperature and hardness. The properties of sodium silicophosphate glasses have been accurately predicted. These understandings will help us design new type of silicophosphate glasses containing unique SiO6 octahedra.