Evolution of the Single-Wall Carbon Nanotubes Bundle Structure under Compressive Deformation

The change in the structure and properties of a carbon nanotube (CNT) bundle under the action of uniaxial compression deformation in the framework of a quasi-three-dimensional computer experiment is investigated. The equilibrium configurations of the CNT bundle cross section are considered and their energetic properties are analyzed. It is found that up to a compression strain of 12% the bundle deformation develops almost homogeneously, while at higher strains a number of structural rearrangements begin in the bundle and regions with different degrees of ellipticity of CNT cross sections are formed. When the compression strain reaches 24%, even more significant structural changes are observed, including the formation of collapsed CNTs. The presented results reveal the mechanisms of absorption of external impact energy by the CNT bundle, which is important for the development of materials damping shock and vibration loads.