Principal Investigators

enology and Metrology. ” Nano-structured materials are extremely attractive for applications requiring high strength and ductility. Two such areas are: (1) nano-layered composites for future aerospace applications demanding high strength-to-weight ratios; and (2) next-generation interconnect and pack-aging components in future electronic devices. While atomistic Molecular Dynamics (MD) simulations are the most reliable tools for investigating deformation phenomena at the nano-scale (in absence of electronic structure considerations, and with well-calibrated interatomic potentials), they are limited to very small volumes and short simulation times. Likewise, dislocation dynamics simulations are limited in the ability to resolve the core structure of defects and to incorporate dislocation nucleation events without ad hoc assumptions. We plan to develop an adaptive hierarchical multiscale frame-work (AHMF), where appropriate computational methods and physics models are selected adaptively based on error estimators. Using this framework, we plan to investigate the deformation characteris-tics of two classes of nano-structured materials: polycrystalline nano-twinned copper inter-connects, and multi-layer nano-composites. We will apply these new tools to the design of bcc/fcc nano-layered materials, and the development of nano-twinned Cu interconnect lines with ultra-high strength and normal conductivity so that they can act as free standing interconnects. The models will be validate