NIRT: Interphase Design for Extraordinary Nanocomposites: Multiscale Modeling and Characterization

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NIRT: INTERPHASE DESIGN FOR EXTRAORDINARY NANOCOMPOSITES: MULTISCALE MODELING AND CHARACTERIZATIONL. C. Brinson, Northwestern UniversityS.K. Kumar, L. Schadler, RPII. Beyerlein, Antonio Redondo, Los Alamos200 word abstract:We propose an integrated experimental and theoretical program to characterize and model the mechanical behavior of carbon nanotube (NT) reinforced polymer composites across length and time scales spanning from the atomic to macroscopic. Our focus is to understand the deformation and failure mechanism in these materials and specifically how those are impacted by the chemistry and morphology of the NTs. We will intertwine molecular scale models, coarse graining, micromechanics and continuum mechanics to address these issues. The models will be closely coupled to experiments at several length/time scales. A hierarchical approach will allow us to assess the importance of different types of chemical interactions between NT and polymer and different types of NT morphologies on deformation from the elastic range through fracture and failure. This work will help guide the design and development of nanocomposites in general. Applications of nano-composites with designer properties are far-reaching, including aerospace structures, medical devices, and coatings. Results from this work will define new durable, lightweight materials for use in structures from the very small (MEMS and chips) to the very large (spacecraft). Even more broadly, the techniques that are developed to link length scales will be applicable across a broad range of materials modeling.