Multiscale Modeling of Nanocomposites

In view of the fact that the atomisticAtomistic basic length is the Angstrom and the basic time scale is femtosecond, material characterization necessitates the building up of hierarchal length and time scales. Each scale is treated differently and is governed by the physics of that particular scale. Typically, length scale hierarchy in material characterization would trigger quantum mechanics, density functional theory, molecular dynamicsMolecular dynamics (MD), micromechanicsMicromechanics, finite element and continuum mechanicsContinuum mechanics. The objective of multiscale endeavors is to bridge these different scales to facilitate either the prediction of the effective properties of a complexComplex material system(s) or provide the atomic hierarchal structure necessary to achieve specific properties. The main focus of this chapter is to provide a fundamental understanding of the concepts and principles upon which multiscale modelingMultiscale modeling is based and demonstrate its applicability by examining three case studies.