Multilevel modeling of the mechanical properties of graphene nanocomposites/polymer composites

Reinforcement of polymer matrices with nanosized objects contributes to the improvement of the mechanical properties of matrices, which strongly depend on the distribution of nanoinclusions in the matrix. In this paper, a new multilevel modeling method has been proposed for estimating the Young's modulus of polymers reinforced with graphene nanoplatelets. The developed methodology covered sequential modeling from nano to macro scale. To describe the elastic responses of each system, a molecular dynamics model was used at nano and micro scales and a micromechanical model was applied for meso and macro levels. To eliminate uncertainties of the size, volume fraction and spatial orientation of a nanoplatelet, a stochastic approach was applied. Results of the technique approbation were in good agreement with the experimental data presented in scientific literature. The developed assessment method is valuable both from scientific and practical points of view. Modeling with this technique can predict how the mechanical properties of nanocomposites manifest themselves at different levels, which makes possible the expansion of the scope of its application.