Effect of agglomeration and dispersion on the elastic properties of polymer nanocomposites: A Monte Carlo finite element analysis

Abstract

Abstract Owing to their superior mechanical and physical properties, carbon nanotubes (CNT) seem to hold a great promise as an ideal reinforcing material for composites of high-strength and low-density. In most of the experimental results up to date, however, only modest improvements in the strength and stiffness have been achieved by incorporating carbon nanotubes in polymers. In the present paper, the influence of single wall carbon nanotube agglomeration on the effective stiffness is analyzed by using an Eshelby’s inclusion model. Analytical expressions are derived for the effective elastic stiffness of single wall carbon nanotubereinforced composites with the effects of agglomeration. The present study not only provides the important relationship between the effective properties and the morphology of CNT-reinforced composites, but also may be useful for improving and tailoring their mechanical properties. In addition, a multiscale Monte Carlo finite element method (MCFEM) was used for determining mechanical properties of polymer nanocomposites (PNC) that consist of polymers reinforced with single-walled carbon nanotubes (SWCNT). Specifically, the method uses a multiscale homogenization approach to link the structural variability at the nano/micro scales with the local constitutive behavior. Subsequently, the method incorporates a FE scheme to determine the Young’s modulus and Poisson ratio of PNC. The use of the computed properties in macroscale modeling is validated by comparison with experimental tensile test data.