Multiscale modeling of nanocomposite materials

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Composite and nanocomposite materials have the potential to provide significant increases in specific stiffness and specific strength relative to materials used for many engineering structural applications. To facilitate the design and development of nanocomposite materials, structure-property relationships must be established that predict the bulk mechanical response of these materials as a function of the molecular-and micro-structure. Although many multiscale modeling techniques have been developed to predict the mechanical properties of composite materials based on the molecular structure, all of these techniques are limited in terms of their treatment of amorphous molecular structures, time-dependent deformations, molecular behavior detail, and applicability to large deformations. The proper incorporation of these issues into a multiscale framework may provide efficient and accurate tools for establishing structure-property relationships of composite materials made of combinations of polymers, metals, and ceramics. The objective of this chapter is to describe a general framework for multiscale modeling of composite materials. First, the fundamental aspects of efficient and accurate modeling techniques will be discussed. This will be followed by a review of current state-of-the-art modeling approaches. Finally, a specific example will be presented that describes the application of the approach to a specific nanocomposite material system. © 2009 Springer-Verlag US.

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Virtual Testing and Predictive Modeling: For Fatigue and Fracture Mechanics Allowables