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

Abstract

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.

Structure-dependent mechanical properties of ultrathin zinc oxide nanowires

“…However, the simulation result in this work shows a three stage stress-strain curve, which could result from the very low temperature, leading to the slow growth of phase transformation in stage II. The super ductility of the single atom chain and two atom row structures of ZnO have been observed in [0001] ZnO nanowire under tensile loading by Dai et al [ 29 ], as well as the carbon nanotube [ 45 ], and other metal nanowires [ 43 ]. In addition, Horlait and Coasne et al [ 39 , 40 ] present the diversified atomic structure and morphology of ZnO nanostructure confined in carbon nanotube and porous silicas, discussing the effect of pore size and degree of pore filling on the self-assembly structure.…”