Effects of temperature and torsion speed on torsional properties of single-walled carbon nanotubes

Khoei, A. R ; Sharif University of Technology | 2011

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  1. Type of Document: Article
  2. DOI: 10.1016/j.msec.2010.11.002
  3. Publisher: 2011
  4. Abstract:
  5. Carbon nanotubes (CNTs) are excellent candidates for torsional elements used in nanoelectro-mechanical systems (NEMS). Simulations show that after being twisted to a certain angle, they buckle and lose their mechanical strength. In this paper, classical molecular dynamics simulations are performed on single-walled carbon nanotubes (CNTs) to investigate the effects of torsion speed and temperature on CNT torsional properties. The AIREBO potential is employed to describe the bonded interactions between carbon atoms. The MD simulations clearly show that the buckling of CNTs in torsion is a reversible process, in which by unloading the buckled CNT in opposite direction, it returns to its original configuration. In addition, the numerical results reveal that the torsional shear modulus of CNTs increases by increasing the temperature and decreasing the torsion speed. Furthermore, the buckling torsion angle of CNTs increases by increasing the torsion speed and decreasing the temperature. Finally, it is observed that torsional properties of CNTs are highly affected by speed of twist and temperature of the nanotubes
  6. Keywords:
  7. Bonded interactions ; Carbon atoms ; Classical molecular dynamics ; Effects of temperature ; MD simulation ; Mechanical strength ; Nano electromechanical systems ; Numerical results ; Reversible process ; Temperature effect ; Torsion angle ; Torsion speed ; Torsional buckling ; Torsional properties ; Torsional shear ; Buckling ; Carbon nanotubes ; Dynamics ; Molecular dynamics ; Speed ; Temperature ; Torsional stress ; Unloading ; Single-walled carbon nanotubes (SWCN)
  8. Source: Materials Science and Engineering C ; Volume 31, Issue 2 , March , 2011 , Pages 452-457 ; 09284931 (ISSN)
  9. URL: http://www.sciencedirect.com/science/article/pii/S0928493110002766