EFFECT OF CHIRALITY ON THE STABILITY OF CARBON NANOTUBES: MOLECULAR-DYNAMICS SIMULATIONS

Şakir Erkoç () and Osman Bariş Malcioğlu
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Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
Osman Bariş Malcioğlu: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2001, vol. 12, issue 06, 865-870

Abstract: The effect of chirality on the structural stability of single-wall carbon nanotubes have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that carbon nanotube in chiral structure is more stable under heat treatment relative to zigzag and armchair models. The diameter of the tubes is slightly enlarged under heat treatment.

Keywords: Molecular-Dynamics; Empirical Potential; Carbon Nanotubes; 31.15.Qg; 31.15.Ct; 61.48.+c (search for similar items in EconPapers)
Date: 2001
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DOI: 10.1142/S0129183101002036

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