Deformation Mechanism of Carbon Nanotubes with Dislocation Array

Abstract

Carbon nanotubes (CNTs) have attracted attention as a nanocarbon material with excellent mechanical properties. The formation process of CNTs can not prevent the introduction of lattice defects. Various studies have conducted that the presence of lattice defects has a great influence on the properties of CNTs. In this study, we aim to elucidate the deformation mechanism of CNTs with dislocation arrays by fusing molecular dynamics simulation and differential geometry calculation, and investigate the possibility of controlling the mechanical properties by the lattice defects. The deformation of the models and simulation results show that the shape change is caused by the spontaneous deformation of lattice defects and the cylindrical shape of CNT. Using differential geometry, we discuss the bending of the curved surface, and the deformation mechanism was clarified by the mechanical properties expressed as equivalent bending stiffness. Furthermore, it was suggested that the deformation of CNTs could be designed by controlling the lattice defects and the size of CNT.