A quantitative criterion for predicting solid-state disordering during biaxial, high strain rate deformation

Abstract

A criterion to predict the onset of disordering under biaxial loading based on a critical potential energy per atom was studied. In contrast to previous theories for disordering, this criterion incorporates the effects of strain rate and strain state. The strain state (or stress state) is defined by the combination of strain (or stress) magnitudes and directions that are applied to each sample during the simulation. The validity of this criterion was studied using molecular dynamic (MD) simulations of Ag conducted over a wide range of biaxial strain rates, strain configurations, and crystal orientations with respect to the applied stress state. Biaxial strains were applied in two different planes, () and (001) in eight directions in each plane. Results showed that, when larger strain rates were applied, there was a transition from plastic deformation driven by the nucleation and propagation of dislocations to disordering and viscous flow. Although the critical strain rate to initiate disorder was found to vary in the range of = 1 × 1011 s−1 to = 4 × 1011 s−1, a consistent minimum PE/atom of −2.7 eV was observed over a broad range of strain states and for both crystallographic orientations that were studied. This indicates that the critical PE/atom is a material property that can be used to predict the onset of disordering under biaxial loading. Further, the results showed that this criterion can be applied successfully even when non-uninform strain states arise in the crystal.