A Quasi-Static Study of the Mechanical Properties of Carbon Nanotubes Using Molecular Dynamics
A quasi-static technique is developed to study the mechanical behavior of single-walled carbon nanotubes (SWNTs) at the feasible experimental strain rate. The Young's modulus and shear modulus at the quasi-static condition are investigated and compared with experimental results. The third-order elastic modulus of –2.34 TPa calculated using the simulations shows a good accordance with the most recent experimental measurements. We show that this approach can overcome the negative influence of high loading rates in the classical molecular dynamics (MD). The buckling strain and buckling modes obtained under quasi-static conditions show good agreement with those from continuum mechanics, which implies that conventional continuum mechanics can be valid in predicting the mechanical response of nanotubes.
Keywords: BUCKLING; MODULUS; MOLECULAR DYNAMICS; NANOTUBE; QUASI-STATIC
Document Type: Research Article
Publication date: 01 October 2009
- 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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