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

Zhang, Yu (2011) Single-walled carbon nanotube modelling based on one- and two-dimensional Cosserat continua. PhD thesis, University of Nottingham.

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Item Type:Thesis (PhD)
Item Status:Live Archive


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.

Keywords:Cauchy-Born rule, Cosserat theory, Atomistic potential, Continuum mechanics
Subjects:H Engineering > H142 Solid Mechanics
Divisions:College of Science > School of Engineering
ID Code:12543
Deposited On:20 Nov 2013 09:51

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