MOLECULAR-DYNAMICS SIMULATIONS OF CARBON NANOCAGE STRUCTURES: NANOBALLS AND NANOTOROIDS

Şakir Erkoç () and Derviş Can Vural
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Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
Derviş Can Vural: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2001, vol. 12, issue 05, 685-690

Abstract: The structural stability of carbon nanocages, fullerens and toroids, have been investigated by performing molecular-dynamics computer simulations. The systems considered areC120andC240in ball and toroidal structures. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found thatC120ball is very unstable, and the other structures are relatively more strong against heat treatment.

Keywords: Molecular-Dynamics; Empirical Potential; Carbon Nanoball; Carbon Nanotoroid; 31.15.Qg; 31.15.Ct; 61.48.+c (search for similar items in EconPapers)
Date: 2001
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DOI: 10.1142/S0129183101001924

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