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

Autor:	Olga E Glukhova
Přispěvatelé:	Peertechz Publications Pvt. Ltd.
Rok vydání:	2018
Předmět:	Carbon nanotorus Unfolding Deforma- tion wave Energy stability Molecular currents Local stresses
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=od______2659::037b40b5e92174820735791645983eba https://zenodo.org/record/1781065 Zobrazit plný text záznamu