On the atomic-scale design of metal-metal heterointerfaces

I will describe a multiscale modeling effort to understand and control the properties of heterointerfaces in metal-metal nanocomposites, using their effect on radiation response as an example. For selected model interfaces, atomistic simulations are used to characterize interface structure and to determine the mechanisms of interface-point defects interactions, including trapping, diffusion, and defect reactions. This information is then incorporated into mesoscale dislocation-based and continuum approaches to investigate the steady-state interface response to radiation-induced defect fluxes. With insights gained from studying this ``forward'' problem of predicting radiation response of selected model interfaces, one may attempt to solve the ``inverse'' problem of determining what interfaces will yield desired radiation response.