Stiffness constants prediction of nanocomposites using a periodic 3D‐FEM model

Predictive models, which enable the prediction of nanocomposite properties from their morphologies and account for polymer orientation, could greatly assist the exploitation of this new class of materials in more diversified and demanding market fields. This article focuses on the prediction of effective elastic properties (Young's moduli) of polymer nanocomposite films (copolyamide‐6/nanoclay) using 3D analytical (based on the Mori‐Tanaka theory) and 3D finite element (FE) models. The analytical model accounts for the orientation of polymer chains induced by drawing. 3D FE model exploits the representative volume element concept and accounts for the nanocomposite morphology as determined from transmission electron microscopy experiments. Model predictions were compared with experimental results obtained for nanocomposite films produced by means a pilot‐scale film blowing equipment and collected at different draw ratios. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012