On measuring the fracture energy of model metallic glasses.

We report a heuristic approach to measure the fracture energy of model metallic glasses using molecular dynamics simulation. Specifically, we adopted the Rivlin-Thomas method, simplified by Suo et al., which is applicable even with the presence of plastic flow. We further modified the testing condition with semi-rigid holders in our molecular simulations, to avoid unintended fracture near the holders. This method was first applied in measuring the fracture energy of a brittle model glass, which agrees well with direct K I C and J I C measurements (both measurements are independent of the crack size). Furthermore, the fracture energy values of a family of model metallic glasses, ranging from brittle to ductile (BTD), were measured. The Poisson's ratio-fracture energy (v-G, or v-G/2γ, normalized by the surface energy) relation obtained here exhibits a BTD transition at a critical Poisson's ratio of 0.31–0.32, consistent with experimental results. [ABSTRACT FROM AUTHOR]