STRUCTURAL PROPERTIES OF DIAMOND NANORODS: MOLECULAR-DYNAMICS SIMULATIONS

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

International Journal of Modern Physics C (IJMPC), 2003, vol. 14, issue 04, 441-447

Abstract: The structural properties of carbon nanorods obtained from diamond crystal have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. Diamond nanorods have been generated from three low-index planes of diamond crystal. It has been found that the average coordination number, cross-section geometry, and surface orientation from which the nanorod is generated play a role in the stability of diamond nanorods under heat treatment. The most stable diamond nanorod has been obtained from the (111) surface.

Keywords: Diamond nanorod; molecular-dynamics; empirical potential (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0129183103004644

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