Single-walled carbon nanotube modelling based on Cosserat surface theory

Zhang, Yu and Sansour, Carlo and Bingham, Chris (2013) Single-walled carbon nanotube modelling based on Cosserat surface theory. In: 12th WSEAS International Conference on Applications of Electrical Engineering (AEE '13), January 30th - February 1st 2013, Cambridge, Mass..

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Abstract

This paper studies the mechanical properties of single-walled carbon nanotubes (SWCNTs). In order to overcome the difficulty of spanning multi-scales from atomistic field to macroscopic space, the Cauchy-Born rule is applied to link the deformation of atom lattice vectors at the atomic level with the material deformation at a macro continuum level. SWCNTs are modelled as Cosserat surfaces, and the modified shell theory is adopted where a displacement field-independent rotation tensor is introduced, which describes the rotation of the inner structure of the surface, i.e. the micro-rotation. Empirical interatomic potentials are employed, so that the force and modulus fields can be computed by the derivations of potential forms from the displacement and rotation fields. A finite element approach is implemented. The Young’s modulus is predicted for SWCNTs in the paper.

Additional Information:RECENT ADVANCES IN ELECTRICAL AND COMPUTER ENGINEERING Proceedings of the 12th WSEAS International Conference on Applications of Electrical Engineering (AEE '13). Cambridge, Ma, January 30th - February 1st 2013
Keywords:Single-walled carbon nanotube, Cauchy-Born rule, Cosserat surface, Empirical interatomic potential
Subjects:H Engineering > H143 Structural Mechanics
Divisions:College of Science > School of Engineering
ID Code:12550
Deposited On:15 Nov 2013 11:01

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