电邮这篇文章 Thermal annealing of Stone–Wales defects in fullerenes and nanotubes
- 作者: Podlivaev A.I.1,2, Openov L.A.1
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隶属关系:
- National Research Nuclear University “MEPhI,”
- Research Institute of Problems in the Development of Scientific and Educational Potential of Young People
- 期: 卷 60, 编号 1 (2018)
- 页面: 162-166
- 栏目: 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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详细
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.
作者简介
A. Podlivaev
National Research Nuclear University “MEPhI,”; Research Institute of Problems in the Development of Scientific and Educational Potential of Young People
编辑信件的主要联系方式.
Email: AIPodlivayev@mephi.ru
俄罗斯联邦, Moscow; Moscow
L. Openov
National Research Nuclear University “MEPhI,”
Email: AIPodlivayev@mephi.ru
俄罗斯联邦, Moscow
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