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Combination Effect of Waviness and Vacancy Defects on the Natural Frequency of Single Walled Carbon Nanotubes

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The combination effect of waviness and vacancy defects on the natural frequency of single walled carbon nanotubes (SWCNTs) is investigated. A model based on molecular dynamics and finite element method has been developed for simulation. For the first time, the effects of boundary condition and waviness shape on the vibrational behaviour of wavy-vacancy defected zigzag SWCNTs are presented. The results indicate that for longer SWCNTs, waviness affects the natural frequency more significantly than vacancy defects. Vacancy defects play a more important role in shifting the natural frequency in clamped-clamped SWCNT compared to the clamped-free structure. While the waviness shape drastically influences the effect of waviness on the natural frequency, it does not affect the effect of vacancy defects considerably.

Keywords: Molecular Dynamics; Natural Vibration; SWCNT; Vacancy Defects; Waviness

Document Type: Research Article

Affiliations: 1: Institute for Future Environments and School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Queensland, Australia 2: School of Engineering, Griffith University, Queensland, Australia

Publication date: 01 August 2016

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  • 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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