Multiscale modeling of polymer-matrix composites

A multi-scale method to predict mechanical properties of polymer-matrix composites is proposed. The polyethylene (PE) matrix is reinforced with carbon nanotubes (CNT) in order to improve the mechanical properties of the composite. The method bridges three different models over two different length scales: from nano-scale to macro-scale. Molecular dynamics simulation are carried out to obtain the interface properties between PE and CNT. This interface behavior is included on the micro-scale where the composite is model by continuum mechanics. The micro-scale model is coupled to the macro-scale by the FE2 method. The approach is applied to predict the macroscopic Young's modulus.