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Influence of oriented topological defects on the mechanical properties of carbon nanotube heterojunctions

TitleInfluence of oriented topological defects on the mechanical properties of carbon nanotube heterojunctions
Publication TypeJournal Article
Year of Publication2013
AuthorsLee, WJ, Chang, JG, Yang, AC, Wang, YT, Su, WS, Wang, CZ, Ho, KM
JournalJournal of Applied Physics
Volume114
Pagination144306
Date Published10
Type of ArticleArticle
ISBN Number0021-8979
Accession NumberWOS:000325780400047
Keywordsalgorithm, devices, dynamics, intramolecular junctions, simulations, temperature
Abstract

The mechanical properties of finite-length (5,0)/(8,0) single-walled carbon nanotube (SWCNT) heterojunctions with manipulated topological defects are investigated using molecular dynamics simulation calculations. The results show that the mechanical properties and deformation behavior of SWCNT heterojunctions are mainly affected not only by the diameter of the thinner segment of the SWCNT heterojunction but also by the orientation of the heptagon-heptagon (7-7) pair in the junction region. Moreover, the orientation of the 7-7 pair strongly affects those properties in the compression loading than those in tensile loading. Finally, it is found that the location of buckling deformation in the heterojunctions is dependent on the orientation of the 7-7 pair in the compression. (C) 2013 AIP Publishing LLC.

DOI10.1063/1.4824539
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Exploratory Theory