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Simulation of the Behavior of Carbon Nanotori during Unfolding: A Study of Stability and Electronic Structure

Journal: International Journal of Nanomaterials, Nanotechnology and Nanomedicine (Vol.4, No. 2)

Publication Date:

Authors : ; ;

Page : 004-008

Keywords : Carbon nanotorus; Unfolding; Deforma-tion wave; Energy stability; Molecular currents; Local stresses.;

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In this work, we present an in silico study of the dynamic behavior of a carbon nanotorus during the localized breaking of the C-C bonds in its atomic network. It is shown that the unfolding of a carbon nanotorus is accompanied by the appearance of deformation waves running along the atomic network of the carbon structure. We estimate energy stability of a carbon nanotorus under deformations using the original method for calculating the local stresses of an atomic network. A new physical phenomenon of the molecular current fl ow in the most deformed sites of the torus atomic network is discovered.

Last modified: 2019-04-20 19:18:48