Analytical and numerical techniques to predict carbon nanotubes properties
By A. Kalamkarov, A. Georgiades, Srujan Rokkam, V. Veedu, M. Ghasemi-Nejhad. 2006
309 citations recorded by the source corpus.
Abstract In this paper, two different approaches for modeling the behaviour of carbon nanotubes are presented. The first method models carbon nanotubes as an inhomogeneous cylindrical network shell using the asymptotic homogenization method. Explicit formulae are derived representing Young’s and shear moduli of single-walled nanotubes in terms of pertinent material and geometric parameters. As an example, assuming certain values for these parameters, the Young’s modulus was found to be 1.71 TPa, while the shear modulus was 0.32 TPa. The second method is based on finite element models. The inter-atomic interactions due to covalent and non-covalent bonds are replaced by beam and spring elements, respectively, in the structural model. Correlations between classical molecular mechanics and structural mechanics are used to effectively model the physics governing the nanotubes. Finite element models are developed for single-, double- and multi-walled carbon nanotubes. The deformations from the finite element simulations are subsequently used to predict the elastic and shear moduli of the nanotubes. The variation of mechanical properties with tube diameter is investigated for both zig-zag and armchair configurations. Furthermore, the dependence of mechanical properties on the number of nanotubules in multi-walled structures is also examined. Based on the finite element model, the value for the elastic modulus varied from 0.9 to 1.05 TPa for single and 1.32 to 1.58 TPa for double/multi-walled nanotubes. The shear modulus was found to vary from 0.14 to 0.47 TPa for single-walled nanotubes and 0.37 to 0.62 for double/multi-walled nanotubes.
Subfields: Biomedical Engineering, Materials Chemistry, Mechanical Engineering
View Paper: https://www.semanticscholar.org/paper/081c1b58561b947319d7d339526034d1ea3b78c5
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In Biomedical Engineering
In Materials Chemistry
In Mechanical Engineering
Citations in the corpus
- On the tensile behavior of an embedded carbon nanotube in polymer matrix with non-bonded interphase region (2010, background): “The vdW forces are most often modeled using Lennard–Jones ‘‘6–12” [34].”
- Prediction of Young's modulus of graphene sheets and carbon nanotubes using nanoscale continuum mechanics approach (2010, result): “results are in an acceptable agreement with published data [17,22,23,25,39,40–44].”
- On the modeling of carbon nanotubes: A critical review (2014, background): “[75] 2006 – Asymptotic homogenization, cylindrical network shell – 1.”
- A review of the mechanical properties of isolated carbon nanotubes and carbon nanotube composites (2010, methodology): “[ 65 ] 2006 Beam element and nonlinear spring — [31, 68, 58] Incr.”