An atomistic-based finite-deformation shell theory for single-wall carbon nanotubes |
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Authors: | J Wu Y Huang |
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Institution: | a FML, Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China b Department of Mechanical Science and Engineering, University of Illinois, Urbana, IL 61801, USA |
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Abstract: | A finite-deformation shell theory is developed for single-wall carbon nanotubes (CNTs) based on the interatomic potential. The modified Born rule for Bravais multi-lattice is used to link the continuum strain energy density to the interatomic potential. The theory incorporates the effect of bending moment and curvature for a curved surface, and accurately accounts for the nonlinear, multi-body atomistic interactions as well as the CNT chirality. It avoids the amibiguous definition of nanotube thickness, and provides the constitutive relations among stress, moment, strain and curvature in terms of the interatomic potential. |
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Keywords: | Carbon nanotube Interatomic potential Constitutive model Bending Curvature |
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