Modal analysis of multi-walled carbon nanocones using molecular dynamics simulation

A Narjabadifam and F Vakili-Tahami and M Zehsaz, COMPUTATIONAL MATERIALS SCIENCE, 137, 55-66 (2017).

DOI: 10.1016/j.commatsci.2017.05.031

To design carbon nanocone-based sensing and actuating nanodevices, it is necessary to study their vibrational behavior. For this purpose, modal analysis of multi-walled carbon nanocones are performed using molecular dynamics simulation. Initial closed-tip atomic structures of the carbon nanocones with different apex angles are modeled through a proposed method which is based on the molecular dynamics simulation. The dependency of the resonant frequencies and their corresponding three- dimensional mode shapes on different geometric parameters of multi- walled carbon nanocones are investigated. The results indicate that the order of mode shapes is influenced by the number of layers and apex angle of the multi walled carbon nanocones. The results also show that the variation of the resonant frequencies with the number of layers depends on the apex angle and shape of the modal displacement. The vibrational behavior of the multi-walled carbon nanocones is also compared with that of the multi-walled carbon nanotubes. (C) 2017 Elsevier B.V. All rights reserved.

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