A multiscale mechanical model for the effective interphase of SWNT/epoxy nanocomposite

摘要: Abstract In this study, a multiscale model fully representing mechanical deformation is developed for the identification of geometrical and properties interfacial layer in single-walled carbon nanotube (SWNT)-epoxy nanocomposite. The nanocomposite reinforced with SWNTs are derived using all-atom molecular dynamics (MD) simulations different diameter nanotubes under constant composition conditions. A size effect on axial stiffness along alignment direction clearly observed, whereas transverse shear components less than corresponding values neat polymer. Through analysis energy its distribution inside unit cell, presence an inner soft slippery polymer at vicinity nanocarbon surface revealed. Taking account unusual reinforcing finite element (FE) model, we implicitly solve effective interphase, which has equivalent around nanotube, as well global elastic that to value from MD simulations. continuum thus properly predicts local stress adsorbed polymer-SWNT interface overall nanocomposite, their inherent effect.