Scale bridging method to characterize mechanical properties of nanoparticle/polymer nanocomposites

Multiscale analysis to characterize the size effect of silica nanoparticles on the mechanical properties of nanoparticle/polymer nanocomposites is developed and verified through a molecular dynamics simulation and continuum micromechanics model. In the micromechanics model, the particle-matrix interface mechanical property is incorporated, and the thickness and elastic properties of the interface are extracted from the atomistic structures. The proposed multiscale micromechanics model accurately reflects the size effect of the nanoparticle. The prediction by the current multiscale model at various volume fractions is compared to the results of the molecular dynamics simulations in order to validate the present multiscale analysis model.