Simulation of the Behavior of Carbon Nanotori during Unfolding: A Study of Stability and Electronic Structure
<p>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...
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| Main Authors: | , |
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| Format: | Book |
| Published: |
International Journal of Nanomaterials, Nanotechnology and Nanomedicine - Peertechz Publications,
2018-01-29.
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| Online Access: | Connect to this object online. |
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| Summary: | <p>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.</p> |
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| DOI: | 10.17352/2455-3492.000024 |