Molecular dynamic simulation of oblique pullout of carbon nanotube from resin

In this study, a molecular dynamic model was employed to simulate oblique extraction of a multi-walled carbon nanotube (MWNT) from resin and to calculate the carbon nanotube’s (CNTs) deformation and stress distribution. Numerical results reveal the occurrence of elongation and necking in a CNT prior to the movement of its embedded end and of local buckling in a segment near where a CNT exits resin under large angle oblique extraction. Numerical results for the 0°, 15°, 30°, 45°, 60° and 75° oblique extractions reveal the effects of the oblique angle on the force–displacement curve and the tensile stress distribution over selected CNT cross-sections. Based on the simulation results, it is noted that CNT breakage in large-angle oblique extraction is mainly attributed to stress concentration caused by local buckling and it has a detrimental effect on the CNT toughening capacity.