At present, the structural, electronic and mechanical properties of various nanotubes in particular carbon and boron nitride are being actively explored. These tubes are isoelectronic to each other and have the same hexagonal structure, therefore they can be compared with each other.
Carbon nanotubes are popular study objects since the 1990s: progress in their synthesis and unusual properties leaded to relevance of their theoretic exploration. BN nanotubes also exhibit the unique properties due to thermal and chemical stabilities in comparison with well-studied carbon nanotubes. Recent advances in the synthesis of boronitride nanotubes increased attention of researchers to them. Exploration of mechanical properties of these nanotubes is especially important, because they are specially rigid and durable material and can be used structural composite materials.
Research of mechanical properties represents study of deformation on the nanotubes and further impact of the distortions of the geometry on the energy performance. Objects are exploring using density functional theory simulation, molecular dynamics simulation, structural mechanics model and atomic simulation Method.
Were presented the results of exploration of changes in the the energy, structural, electronic and mechanical properties of the single-one carbon and BN nanotubes under axial and torsion distortions using DFR simulation. The crystal 17 software package was used for the study.