MD simulation of carbon nanotube pullout behavior and its use in determining mode I delamination toughness

► Presents a parametric MD study of MWNT extraction from epoxy resin. ► MWNT extraction consists of progressive stretching, necking, debonding and pullout. ► The pull force-displacement curve is characterized by four distinct segments. ► A quadruple-linear model is proposed and validated by existing test result. ► The model is used as a traction law in for determining mode I delamination toughness.