Reproduce of Mixed-Alkali Effect in Na₂O-K₂O-SiO₂ Glasses by Molecular Dynamics Simulations

Abstract

Molecular dynamics simulation of y{(1−x)Na₂O-xK₂O}-(1−y)SiO₂ glasses used an improved interatomic potential was performed to investigate the mixed alkali effect. The relation of self-diffusion coefficient of potassium and of sodium was improved, but the trend with x of the self-diffusion coefficient of potassium has become worse than the previous work.