Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua

This research aims to study the mechanical properties of single-walled carbon nanotubes. In order to overcome the difficulties 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...

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Main Author: Zhang, Yu
Format: Thesis (University of Nottingham only)
Language:English
Published: 2011
Online Access:https://eprints.nottingham.ac.uk/12211/
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author Zhang, Yu
author_facet Zhang, Yu
author_sort Zhang, Yu
building Nottingham Research Data Repository
collection Online Access
description This research aims to study the mechanical properties of single-walled carbon nanotubes. In order to overcome the difficulties 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 in a macro continuum level. Single-walled carbon nanotubes are modelled as Cosserat surfaces, and 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. micro-rotation. Empirical interatomic potentials are applied so that stress fields and modulus fields can be computed by the derivations of potential forms from displacement fields and rotation fields. A finite element approach is implemented. Results of simulations for single-walled carbon nanotubes under stretching, bending, compression and torsion are presented. In addition, Young’s modulus and Poisson ratio for graphite sheet and critical buckling strains for single-walled carbon nanotubes are predicted in this research.
first_indexed 2025-11-14T18:28:47Z
format Thesis (University of Nottingham only)
id nottingham-12211
institution University of Nottingham Malaysia Campus
institution_category Local University
language English
last_indexed 2025-11-14T18:28:47Z
publishDate 2011
recordtype eprints
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spelling nottingham-122112025-02-28T11:18:07Z https://eprints.nottingham.ac.uk/12211/ Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua Zhang, Yu This research aims to study the mechanical properties of single-walled carbon nanotubes. In order to overcome the difficulties 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 in a macro continuum level. Single-walled carbon nanotubes are modelled as Cosserat surfaces, and 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. micro-rotation. Empirical interatomic potentials are applied so that stress fields and modulus fields can be computed by the derivations of potential forms from displacement fields and rotation fields. A finite element approach is implemented. Results of simulations for single-walled carbon nanotubes under stretching, bending, compression and torsion are presented. In addition, Young’s modulus and Poisson ratio for graphite sheet and critical buckling strains for single-walled carbon nanotubes are predicted in this research. 2011-12-16 Thesis (University of Nottingham only) NonPeerReviewed application/pdf en arr https://eprints.nottingham.ac.uk/12211/1/thesis.pdf Zhang, Yu (2011) Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua. PhD thesis, University of Nottingham.
spellingShingle Zhang, Yu
Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua
title Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua
title_full Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua
title_fullStr Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua
title_full_unstemmed Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua
title_short Single-walled carbon nanotube modelling based on one-and two-dimensional Cosserat continua
title_sort single-walled carbon nanotube modelling based on one-and two-dimensional cosserat continua
url https://eprints.nottingham.ac.uk/12211/