Molecular dynamics investigation of carbon nanotube resonance

研究成果: Article

9 引文 (Scopus)

摘要

In this work, a methodology to directly extract resonant information from an equilibrium molecular dynamics simulation is proposed and demonstrated by analyzing the vibrational behavior of carbon nanotubes (CNTs). Different vibrational motions, i.e. longitudinal, transverse, rotational and radial, could be easily distinguished and computed through the time sequence of the velocity components of atoms at the equilibrating process. Fast Fourier transform is adopted to perform the transformation of vibration information from time to frequency domain. The effects of CNT length, radius and boundary condition on the resonant behaviors of CNTs are systematically investigated. Moreover, the simulation results are compared with those predicted based on the Euler-Bernoulli beam theory. Note that the simulated longitudinal and rotational resonant behaviors agree quite well with the theoretical prediction and a slight deviation is observed in the transverse prediction.

原文English
文章編號045011
期刊Modelling and Simulation in Materials Science and Engineering
21
發行號4
DOIs
出版狀態Published - 2013 六月 1

指紋

Carbon Nanotubes
Nanotubes
Molecular Dynamics
Molecular dynamics
Carbon nanotubes
Carbon
carbon nanotubes
molecular dynamics
Transverse
Euler-Bernoulli beams
Euler-Bernoulli Beam
Prediction
Fast Fourier transform
predictions
Fast Fourier transforms
Molecular Dynamics Simulation
Frequency Domain
Deviation
simulation
Vibration

All Science Journal Classification (ASJC) codes

  • Modelling and Simulation
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Computer Science Applications

引用此文

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