Отправить статью по E-mail Thermal annealing of Stone–Wales defects in fullerenes and nanotubes
- Авторы: Podlivaev A.I.1,2, Openov L.A.1
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Учреждения:
- National Research Nuclear University “MEPhI,”
- Research Institute of Problems in the Development of Scientific and Educational Potential of Young People
- Выпуск: Том 60, № 1 (2018)
- Страницы: 162-166
- Раздел: Low-Dimensional Systems
- URL: https://ogarev-online.ru/1063-7834/article/view/201944
- DOI: https://doi.org/10.1134/S1063783418010183
- ID: 201944
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Аннотация
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.
Об авторах
A. Podlivaev
National Research Nuclear University “MEPhI,”; Research Institute of Problems in the Development of Scientific and Educational Potential of Young People
Автор, ответственный за переписку.
Email: AIPodlivayev@mephi.ru
Россия, Moscow; Moscow
L. Openov
National Research Nuclear University “MEPhI,”
Email: AIPodlivayev@mephi.ru
Россия, Moscow
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