Identification of elastic properties of interphase and interface in graphene-polymer nanocomposites by atomistic simulations

This article tackles the problem of identification elastic continuum model by atomistic simulations for graphene polymer nanocomposite. The Atomistic Local IdentificAtion Stiffness method, so-called ALIAS is developed to estimate local stiffness tensor at all points laminate Results suggest that can be modeled scale a general imperfect interface with zero thickness. Moreover, procedure reveals existence interphase on either side thickness 1 nm, which one and half times stiffer than bulk matrix. identified used study effective properties nanocomposites sandwich microstructure. softening effect due very low slip along plane. interfaces preponderant in relation stiffening. Finally, also suggests wrinkling increases nanocomposites.