Atomistic Model Analysis of Deformation of Carbon Nanotubes under Axial Compression

Abstract:

We carried out molecular dynamics (MD) simulation and atomistic instability (ASI) analysis with carbon nanotubes (CNTs) under axial compression to reveal the mechanism of buckling. We investigated the development of instability mode until buckling of structure. For single-walled carbon nanotubes (SWCNTs), Euler-type buckling was found in relatively thin and long nanotubes, while buckling with deformation change of cross-sectional shape (radial buckling) was found in thick and short carbon nanotubes. The crossover between the Euler-type buckling modes and radial buckling modes was clearly seen in the ASI analysis.

• Periodical: Key Engineering Materials (Volume 725)
• Pages: 451-455
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.725.451
• Online since: December 2016
• Authors: Masanobu Sato*, Yoshitaka Umeno
• Keywords: Atomistic Model, Buckling, Carbon Nanotube, Deformation Mode, Structural Instability

References

[1] Y. Umeno, T. Kitamura and A. Kushima, Computational Materials Science 30 283-287(2004).

[2] Y. Umeno, T. Shimada and T. Kitamura, Phys. Rev. B 82 104108 (2010).

[3] D. W. Brenner, O. A. Shenderova, J. A. Harrison, S. J. Stuart, B. Ni and S. B. Sinnott, J. Phys.: Condens. Matter 14 pp.783-802, (2002).

DOI: 10.1088/0953-8984/14/4/312

[4] S. J. Stuart, A. B. Tutein and J. A. Harrison, J. Chem. Phys. 112 pp.6472-6486, (2000).