An atomistic method for slow structural deformations

We investigate the feasibility of applying a recent algorithm for sampling activation barriers in supercooled liquids to probe activated kinetics of solid-state deformation under stress. The basis for exploring this isomorphism is that the elementary processes of activation and relaxation in potential energy space are valid for any bulk system. Since the method is able to explain shear relaxation over a range of temperatures, it seems reasonable to expect the approach also can be useful for studying structural deformation over a range of applied stresses. We present preliminary results on time-dependent deformation of nanocrystalline structures to suggest a new way to probe structural relaxation at slow strain rates that retains atomistic details of individual and collective rearrangements.