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Buckling and Postbuckling Behavior of Carbon Nanocones

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In order to systematically investigate the buckling and postbuckling behavior of carbon nanocones (CNCs), classic molecular dynamics simulations have been conducted to examine the nanomechanical characteristics of the graphenic conical nanostructures under compressive strains. The deformation patterns during the buckling and postbuckling stages have been extensively explored to fully understand the mechanical behavior of carbon nanostructures made from single-layer graphene. The influences of the apex angle and cone height on the deformation patterns have been analyzed. The effects of different defects such as monovacancy, bivacancies, and SW defect on the buckling behavior have also been investigated to obtain the key enabling knowledge of such kinds of graphenic nanostructures. From the computational analyses, it is noted that the deformation patterns are trilateral symmetry and bilateral symmetry with two orthogonal mirror planes during the buckling and postbuckling stages, respectively. The first deformation pattern can gradually transform to the second pattern during the postbuckling stage. With the increase of the apex angle, the critical axial force and strain energy per atom will decrease. Furthermore the buckling strain for the second deformation pattern will significantly enlarge. The increased cone height can also decrease the critical force and strain energy per atom. Compared to pristine CNCs, the three kinds of defects can significantly reduce the critical force and strain energy per atom.
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Keywords: BUCKLING; CARBON NANOCONES; MOLECULAR DYNAMICS; POSTBUCKLING

Document Type: Short Communication

Publication date: August 1, 2012

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  • Nanoscience and Nanotechnology Letters (NNL) is a multidisciplinary peer-reviewed journal consolidating nanoscale research activities in all disciplines of science, engineering and medicine into a single and unique reference source. NNL provides the means for scientists, engineers, medical experts and technocrats to publish original short research articles as communications/letters of important new scientific and technological findings, encompassing the fundamental and applied research in all disciplines of the physical sciences, engineering and medicine.
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