Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance Studies.

The structure of strontium glasses with the composition (SiO)(AlO) (SrO) ( R = [SrO]/[AlO] = 1) and (SiO)(AlO) (SrO) ( R = 3) has been explored experimentally over both short- and intermediate-length scales using neutron diffraction, Al and Si nuclear magnetic resonance, and classical molecular dynamics simulations in model systems containing around 10 000 atoms. We aim at understanding the structural role of aluminum and strontium as a function of the chemical composition of these glasses. The short- and medium-range structure such as aluminum coordination, bond angle distribution, Q distribution, and oxygen speciation have been systematically studied.