Simulation Based Materials Design of Biomimetic Nanocomposites

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ABSTRACTFor complex nanocomposite systems, the modeling and prediction methodology must cover length scale from molecular (nanometer) to meso and macroscale. The goal of this proposal is to improve and expand computational mechanics of a nanocomposite system using the experimentally determined nanomechanical properties and incorporating them into meso and macroscale models. Specifically, we propose to develop a multiscale model to simulate mechanical responses of nacre, a biomimetic layered nanocomposite of organic and an inorganic components. Numerical models using three-dimensional finite element analysis will be developed for predicting nonlinear and time dependant response of the nanocomposite. Advanced computational facilities (NCSA supercomputers) and experimental facilities (high resolution scanning probe and transmission electron microscopy, vibrational spectroscopy) will be utilized for this research. Results of this research will result in potential criteria for practical, simulation-based materials design of scalable and complex (hybrid) composites containing both a soft and a hard component using the concepts of both biomimetics and nanotechnology.