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Axial Force Change Due to Axial-Strain-Induced Torsional Rotation of Single-Walled Carbon Nanotubes

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We investigated the torsional deformations of single-walled carbon-nanotubes under axial strains via an atomistic simulation method. The simulation cases with fixed edges were compared to those with relaxed edge in order to investigate the effect due to the axial-strain-induced torsion response. The strain energy and the axial force changes due to the axial-strain-induced torsion response were greatly influenced on the chirality of chiral single-walled carbon-nanotubes but were negligible for achiral single-walled carbon-nanotubes. The axial-force differences due to the axial-strain-induced torsion response for the chiral single-walled carbon-nanotubes increased with increasing axial strain.


Document Type: Research Article


Publication date: 2010-11-01

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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