Molecular dynamics study of multi-walled carbon nanotubes under uniaxial loading

C. C. Hwang, Y. C. Wang, Q. Y. Kuo, J. M. Lu

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30 引文 斯高帕斯(Scopus)

摘要

The mechanical behavior of multi-walled carbon nanotubes (MWNTs), being fixed at both ends under uniaxial tensile loading, is investigated via the molecular dynamics (MD) simulation with the Tersoff interatomic potential. It is found that Young's modulus of the MWNTs is in the range between 0.85 and 1.16 TPa via the curvature method based on strain energy density calculations. Anharmonicity in the energy curves is observed, and it may be responsible for the time-dependent properties of the nanotubes. Moreover, the number of atomic layers that is fixed at the boundaries of the MWNTs will affect the critical strain for jumps in strain energy density vs. strain curves. In addition, the boundary conditions may affect "yielding" strength in tension. The van der Waals interaction of the double-walled carbon nanotube (DWNT) is studied to quantify its effects in terms of the chosen potential.

原文English
頁(從 - 到)775-778
頁數4
期刊Physica E: Low-Dimensional Systems and Nanostructures
42
發行號4
DOIs
出版狀態Published - 2010 二月

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics

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