Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5106
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dc.contributorDepartment of Mechanical Engineering-
dc.creatorMeng, FY-
dc.creatorShi, SQ-
dc.creatorXu, DS-
dc.creatorChan, CT-
dc.date.accessioned2014-12-11T08:29:03Z-
dc.date.available2014-12-11T08:29:03Z-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10397/5106-
dc.language.isoenen_US
dc.publisherAmerican Institute of Physicsen_US
dc.rights© 2006 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in F. Y. Meng et al., J. Chem. Phys. 124, 024711 (2006) and may be found at http://link.aip.org/link/?jcp/124/024711.en_US
dc.subjectCarbon nanotubesen_US
dc.subjectSurface reconstructionen_US
dc.subjectTopologyen_US
dc.subjectMolecular dynamics methoden_US
dc.subjectBonds (chemical)en_US
dc.subjectAnnealingen_US
dc.titleSurface reconstructions and stability of X-shaped carbon nanotube junctionen_US
dc.typeJournal/Magazine Articleen_US
dc.description.otherinformationAuthor name used in this publication: S. Q. Shien_US
dc.identifier.spage1-
dc.identifier.epage4-
dc.identifier.volume124-
dc.identifier.issue2-
dc.identifier.doi10.1063/1.2150210-
dcterms.abstractA complete surface reconstruction takes place after a local connection between two crossed tubes is established, leading to the creation of an extended X-shaped junction constituted by topological defects with smooth negative curvature. Molecular-dynamics simulations show that the surface reconstructions occur through (1) generalized Stone-Wales transformation and (2) the movement of sp and sp³ atoms and their transformation to sp² atoms by bond rearrangement. Based on both the principle of energy minimization and a generalized Euler’s rule, it is demonstrated that the most stable structure for X junctions contains only 12 heptagons. The annealing temperature influences the topological structure and stability of junctions.-
dcterms.accessRightsopen accessen_US
dcterms.bibliographicCitationJournal of chemical physics, 14 Jan. 2006, v. 124, no. 2, 024711, p. 1-4-
dcterms.isPartOfJournal of chemical physics-
dcterms.issued2006-01-14-
dc.identifier.isiWOS:000234607700071-
dc.identifier.scopus2-s2.0-30744464565-
dc.identifier.eissn1089-7690-
dc.identifier.rosgroupidr27848-
dc.description.ros2005-2006 > Academic research: refereed > Publication in refereed journal-
dc.description.oaVersion of Recorden_US
dc.identifier.FolderNumberOA_IR/PIRAen_US
dc.description.pubStatusPublisheden_US
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