A multiscale Monte Carlo finite element method for determining mechanical properties of polymer nanocomposites

This paper introduces a multiscale Monte Carlo finite element method (MCFEM) for determining mechanical properties of polymer nanocomposites (PNC) that consist of polymers reinforced with single-walled carbon nanotubes (SWCNT). Note that several approaches discussed in the open literature suggest values for the mechanical properties of PNC that differ significantly from the corresponding ones derived by experimental procedures. This discrepancy is addressed by the proposed MCFEM which accounts for the effect of the non-uniform dispersion and distribution of SWCNT in polymers in the macroscopic mechanical behavior of PNC. 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.