Recalculations of Mechanical Properties of Carbon Nanotube Bundle
In most carbon nanotube-reinforced composites, nanotubes tend to form bundles instead of separating into individual nanotubes. The properties of these bundles play important roles in the ultimate properties of nanotubes-reinforced composites. Many researchers have attempted to predict
these properties based on theoretical models and experimental measurements. However, some ambiguities exist in the bundle definition and the data reductions. In this paper, we first defined the bundle geometry and the mechanical model parameters for underlying data reductions. We then calculated
the elastic modulus of carbon nanotube bundles under tension and bending based on the molecular dynamics simulations. From the results, we discovered that (1) the Young's modulus of an ideal bundle under axial tension does not change as its diameter changes; (2) the twisting of a bundle results
in decreasing its Young's modulus; (3) the elastic modulus of a bundle under bending deceases with increase of its diameter; and (4) the data reduction methods or the macroscopic mechanical models adopted in the calculations have a direct effect on the predictions of the bundle properties
and warrant special attentions.
Keywords: CARBON NANOTUBE; MOLECULAR DYNAMICS; NANOTUBE-REINFORCED COMPOSITES
Document Type: Research Article
Publication date: 01 April 2008
- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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