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.