A Multiscale Modelling Approach for the Design of new Polymer Materials

Abstract We report examples of industrial interests for which only multi-scale simulations are able to provide bridges between consecutive scales. We focus here on the transfer of information between the atomic and mesoscopic scales. We treat the impact of the architecture of the polymer chains and the nature of the surface. We also investigate the phenomena of crystallization under shear and complete by a study of the deformation of an elastomer network.