Molecular dynamics simulation for the bonding energy of metal-SWNT interface

For this paper, we carried out molecular dynamics simulation to calculate the bonding energy of the metal-SWNT interface. Three kinds of metal, namely iron, nickel and gold, were studied. The results show that the iron-SWNT interface has the strongest bonding energy, and then nickel and gold. To confirm these results, tensile loading tests were also performed to study the breaking force of the metal-SWNT interface. The force needed to debond the metal-SWNT interface is at the order of nano-newton. The more adhesion energy the interface has, the bigger force that must be loaded to break the joint.