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The Effect of Boundary Conditions on a Theoretical Analysis of Axial Buckling in a Chiral Single-Wall Carbon Nanotube

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Using molecular dynamics simulation, we predict that under fixed-end boundary condition, for an unsymmetrical chiral single-wall carbon nanotubes (SWCNTs), helix-like stripes would appear on the nanotube shell, and torsional buckling could occur. At the same time, buckling critical strains would be greatly reduce (e.g., ∼20% for a (8,3) SWCNT) compared with those under simply supported boundary conditions. The mechanism for this decrease is not understood.
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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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