Channel Formation and Intermediate Range Order in Sodium Silicate Melts and Glasses

TL;DR

This study combines neutron scattering and simulations to reveal how sodium-rich channels form in sodium silicates, facilitating ion diffusion and becoming fixed in the glass structure upon cooling.

Contribution

It uncovers the origin of intermediate range order in sodium silicates and links it to sodium channel formation and ion conduction pathways.

Findings

Prepeak around 0.9 A^-1 indicates sodium channel formation.

Channels serve as pathways for sodium ion diffusion.

Intermediate range order is frozen below the glass transition.

Abstract

We use inelastic neutron scattering and molecular dynamics simulation to investigate the interplay between the structure and the fast sodium ion diffusion in various sodium silicates. With increasing temperature and decreasing density the structure factors exhibit an emerging prepeak around 0.9 A^-1. We show, that this prepeak has its origin in the formation of sodium rich channels in the static structure. The channels serve as preferential ion conducting pathways in the relative immobile Si-O matrix. On cooling below the glass transition this intermediate range order is frozen in.