ABSTRACT
The micromechanics model incorporates the molecular structures of the nanoparticle, polyimide, and interfacial regions, which are determined using a molecular modeling method that involves coarse-grained and reverse-mapping techniques. The micromechanics model includes an effective interface between the polyimide and nanoparticle with properties and dimensions that are determined using the results of molecular dynamics simulations. The use of nanostructured reinforcement in polymers has the potential to provide increases in the mechanical properties relative to larger-scale reinforcements that are currently used for aerospace applications, such as carbon fibers. A considerable amount of research has been conducted to examine the modeling of mechanical properties of polymer composites with nanoscale reinforcement. Several efforts have focused on the modeling of mechanical properties of nanoclay-reinforced polymer composites and nanoparticle-reinforced polymer composites. The polymer was modeled as having an amorphous molecular structure. Atomistic molecular modeling techniques have been in use for several decades to calculate mechanical properties of polymers.
