Structure–property relationships in nanocomposites

A numerical finite-difference model is presented for the study of the factors controlling the properties of composites reinforced with platelets and fiber-like nano-inclusions. The approach provides a comprehensive treatment of the dependence of composite modulus and strength on the shape of the inclusions and the interrelated effects of their orientation, volume fraction, aspect ratio, modulus and interfacial properties with the matrix. At the same volume fraction, we find that platelets are generally more efficient than fibers in improving composite modulus. This is rationalized through our model finding that fibers have a typically low critical aspect ratio value, which puts an upper limit to their reinforcement potential. Platelets also turn out to be superior to fibers in all nanocomposites characterized by a poor orientation of the inclusions. We also find that low interfacial adhesion and poor dispersion of the inclusions lead to a decrease in reinforcement efficiency. Turning to comparison with experiment, a good agreement is found between our model predictions and modulus data on nanocomposites reinforced with montmorillonite platelets and carbon nanotubes.