The collective motion of carbon atoms in a (10,10) single wall carbon nanotube under axial tensile strain

摘要

Molecular dynamics is employed to investigate the collective motion of carbon atoms of a (10,10) single walled carbon nanotube under tensile loading. The "slip vector" parameter is used to study the collective motion of a group of atoms and deformation behavior in three different directions (axial, tangential, and radial directions). According to the variations in the slip vectors in different directions and the stress-strain profile, the axial tensile process can be divided into three stages. In tensile loading process, two local deformation types (symmetrical and nonsymmetrical deformations) are observed before reaching the maximum stress. The variations in the slip vector values of each atom indicate a symmetrical rupture which is oriented 45° to the axis of the nanotube after reaching the maximum stress. By tensile loading, chainlike structures can be formed before the breaking of the nanotube.