Atomistic Simulation on Fracture Mechanics of Oxide Glasses and Glass-Ceramics

Abstract

Experimental probing of fracture dynamics in oxide glasses and glass-ceramics is remarkably challenging. Whether involving subcritical crack growth, high-speed propagation, or contact damage, these processes occur on either very slow or very fast timescales. As an indispensable tool, molecular dynamics simulations complement experiments by providing unique atomic-scale insight into fracture mechanisms. In this work, we first review the influence of interatomic potentials, simulation protocols, and loading procedures on fracture behavior of glasses, establishing a solid methodological foundation. We then review crack propagation studies ranging from subcritical crack growth to dynamics of high-speed crack propagation, as well as the effect of ion exchange and phase separation–induced structural heterogeneity. Finally, nanoindentation simulations of glasses and glass-ceramics are discussed, with emphasis on factors governing the competition between densification and shear flow, including composition, ion exchange, indenter geometry, and crystalline phases in glass-ceramics.