纳米材料与分子纳米技术杂志

Some Mechanical Properties of Carbon Nanotubes Heterojunctions

Dinesh Kumar, Veena Verma, Keya Dharamvir and HS Bhatti

Some Mechanical Properties of Carbon Nanotubes Heterojunctions

In the present research work, the structure of linear heterojunctions between two CNTs of different chirality’s, but similar radii, joined together through an interface that require more than one pentagon-heptagon defects have been studied. The elastic properties of carbon nanotube heterojunctions are investigated using secondgeneration improved reactive empirical bond order potential by Brenner and co-workers. In this study, the coordinates of carbon nanotube heterojunctions are generated. Each and every structure thus generated is allowed to relax till a minimum of energy is obtained. The requisite compressions, elongations and twists to the structures are applied and thus computed elastic moduli. Young’s Modulus increases with radius for small radii and attains a constant value of the order 1TPa. Poisson’s ratio and shear modulus have also been computed.