Simulations of Polymer Nanocomposites

Simulations of polymer nanocomposites were undertaken in order to determine the effect of molecular structure on macroscopic properties. Due to the large amount of interfacial area present in nanostructured materials, the effect of structural details at this interface is influential in the resulting material properties. These simulations focus on variation in molecular structural details at this interface and the effect on the resulting macroscopic properties of the nanocomposite.