Modeling of nano-reinforced polymer composites: Microstructure effect on Young’s modulus

A computational numerical-analytical model of nano-reinforced polymer composites is developed taking into account the interface and particle clustering effects. The model was employed to analyze the interrelationships between microstructures and mechanical properties of nanocomposites. An improved effective interface model which is based on Mori–Tanaka approach and includes the nanoparticle geometry and clustering effects was developed.

A program code for the automatic generation of two-dimensional multiparticle unit cell models of nanocomposites and finite element meshes on the basis of “grid method” algorithm was developed in the ABAQUS Scripting Interface. In the computational studies, it was observed that the elastic modulus increases with the increasing the aspect ratio of nanoparticles.

The thickness and properties of effective interface layers and the shape and degree of particles clustering have strong influence on the mechanical properties of nanocomposite.