Email this article Thermal annealing of Stone–Wales defects in fullerenes and nanotubes
- Authors: Podlivaev A.I.1,2, Openov L.A.1
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Affiliations:
- National Research Nuclear University “MEPhI,”
- Research Institute of Problems in the Development of Scientific and Educational Potential of Young People
- Issue: Vol 60, No 1 (2018)
- Pages: 162-166
- Section: Low-Dimensional Systems
- URL: https://journal-vniispk.ru/1063-7834/article/view/201944
- DOI: https://doi.org/10.1134/S1063783418010183
- ID: 201944
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Abstract
The thermally activated annealing of topological Stone–Wales defects in carbon fullerenes and nanotubes is studied via molecular dynamics. The temperature dependences of characteristic times are shown to obey the Arrhenius law. The values of the relevant activation energies and frequency factors are found. The results are compared with the simulated potential energy surface data.
About the authors
A. I. Podlivaev
National Research Nuclear University “MEPhI,”; Research Institute of Problems in the Development of Scientific and Educational Potential of Young People
Author for correspondence.
Email: AIPodlivayev@mephi.ru
Russian Federation, Moscow; Moscow
L. A. Openov
National Research Nuclear University “MEPhI,”
Email: AIPodlivayev@mephi.ru
Russian Federation, Moscow
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