Simulation of chemically bonded nanotube-polyethylene composites subjected to mechanical loading

Carbon nanotube polymer nano-composites are promising new materials with a combination of good mechanical, electrical and radiation detection properties. This paper reports the influence of covalent bonds at the carbon nanotube–polyethylene interface under different mechanical loading conditions. Interface covalent bonds were generated by incorporating carbon nanotubes into polyethylene matrix with radical centers on the polymer chains. The resulting nano-composite was then subjected to nano-impact and nano-sliding with the aid of molecular dynamics analysis. It was found that the load carrying capacity of the nano-composite was higher and the bending deformation of carbon nanotube was elastic. In addition, the covalent bonds at the interface were stable during the loading processes