Design of Interface in Nanostructure

To achieve excellent properties of polymer nanocomposites by addresing functional organic nanofillers, various types of surface treatment of nanofillers including covalent and non-covalent grafting have been proposed. To provide a guideline for the desing of nanoparticulate composites, we focus on compuational interfacial desing of nanocomposites to promote interfacial load transfer mechanism and interfacial phonon scattering in thermal transport problem.