How glass breaks -- Damage explains the difference between surface and fracture energies in amorphous silica

Abstract

The difference between free surface energy and fracture toughness in amorphous silica is studied via multi-scale simulations. We combine the homogenization of a molecular dynamics fracture model with a phase-field approach to track and quantify the various energy contributions. We clearly separate free surface energy localized as potential energy on the surface and damage diffusion over a 16-23 A range around the crack path. The plastic contribution is negligible. These findings, which clarify brittle fracture mechanisms in amorphous materials, align with toughness measurements in silica.