Multiscale modeling of deformation in polycrystalline thin metal films on substrates

The time-dependent irreversible deformation of a thin metal film constrained by a substrate is investigated by a mesoscopic discrete dislocation simulation scheme incorporating information from atomistic studies of dislocation nucleation mechanisms. The simulations take into account dislocation climb along the grain boundaries in the film as well as dislocation glide along slip planes inclined and parallel to the film/substrate interface. The calculated flow stress and other features are compared with relevant experimental observations. The work is focused on deformation of a polycrystalline film without a cap layer, for which diffusive processes play an important role. The dislocation-based simulations reveal information on the prevailing deformation mechanisms under different conditions and for different film thicknesses. Despite of the limitations of the two-dimensional dislocation model, the simulations exhibit a film thickness dependent transition between creep dominated and dislocation glide dominated deformation, which is in good agreement with experimental observations.