Mechanical modeling of a single-walled carbon nanotube using the finite element approach

摘要

An analytical procedure to determine the elastic modulus of a single-walled carbon nanotube of armchair type is presented. The interacting forces between atoms are determined based on potentials derived from auantum mechanics. For the axial stretching, the Morse potential parameters were used, along with the bending potential. The model associates a hexagonal lattice where the nodes correspond to atoms and bars to the links (bonds) between them. The finite element model considers fixed position of one end while the tension forces are applied at the other end. The result of the simulation is the shape of the deformed nanotube and its elastic modulus. The influence of the overall dimensions of the nanotube on the modulus of elasticity was also examined.