Structural properties of diamond nanorods: molecular-dynamics simulations

Malcioglu O., Malcioglu O. B.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.14, no.4, pp.441-447, 2003 (SCI-Expanded) identifier identifier


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.