Elastic Properties of Boron-Nitride Nanotubes through an Atomic Simulation Method

摘要

The elastic properties of the boron-nitride nanotubes are studied based on an atomic simulation method that is called atomic-scale finite element method. The Tersoff-Brenner potential is used to describe the interaction between boron and nitrogen atoms, and the computational method is established in an atomic-scale scheme similar to the classical finite element method. Young's modulus is evaluated for the boron-nitride nanotubes, and their buckling behavior is analyzed. It is shown that the diameter has an obvious influence on Young's modulus of BNNTs, and the buckling is little related to the length of the nanotubes.