The effect of Stone-Wales defect on the tensile behavior and fracture of single-walled carbon nanotubes

Tserpes, KI; Papanikos, P

dc.contributor.author	Tserpes, KI	en
dc.contributor.author	Papanikos, P	en
dc.date.accessioned	2014-03-01T01:27:24Z
dc.date.available	2014-03-01T01:27:24Z
dc.date.issued	2007	en
dc.identifier.issn	0263-8223	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/18437
dc.subject	Carbon nanotubes	en
dc.subject	Finite element analysis	en
dc.subject	Interatomic potential	en
dc.subject	Progressive fracture analysis	en
dc.subject	Stone-Wales defect	en
dc.subject.classification	Materials Science, Composites	en
dc.subject.other	Chirality	en
dc.subject.other	Finite element method	en
dc.subject.other	Fracture	en
dc.subject.other	Reinforcement	en
dc.subject.other	Tensile properties	en
dc.subject.other	Topology	en
dc.subject.other	Interatomic potential	en
dc.subject.other	Nanotube chirality	en
dc.subject.other	Stone-Wales defect	en
dc.subject.other	Single-walled carbon nanotubes (SWCN)	en
dc.subject.other	carbon	en
dc.subject.other	finite element analysis	en
dc.subject.other	fracture	en
dc.subject.other	nanotube	en
dc.subject.other	reinforcement	en
dc.subject.other	tensile property	en
dc.title	The effect of Stone-Wales defect on the tensile behavior and fracture of single-walled carbon nanotubes	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.compstruct.2006.02.020	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.compstruct.2006.02.020	en
heal.language	English	en
heal.publicationDate	2007	en
heal.abstract	The effectiveness of carbon nanotubes as reinforcements in the next generation of composites is designated by their mechanical behavior as standalone units. One of the most commonly present topological defects, whose effect on the mechanical behavior of carbon nanotubes needs to be clarified, is the Stone-Wales (SW) defect. In this paper, the effect of SW defect on the tensile behavior and fracture of armchair, zigzag and chiral single-walled carbon nanotubes (SWCNTs) was studied using an atomistic-based progressive fracture model. The model uses the finite element method for analyzing the structure of SWCNTs and the modified Morse interatomic potential for describing the nonlinear force-field of the C-C bonds. In all cases examined, the SW defect serves as nucleation site for fracture. its effect on the tensile behavior of the SWCNTs depends solely on nanotube chirality. In armchair SWCNTs, contrary to zigzag ones, a significant reduction in failure stress and failure strain was predicted; ranging from 18% to 25% and from 30% to 41%, respectively. In chiral SWCNTs, the effect of the defect is between those of the armchair and zigzag SWCNTs, depending on chiral angle. The stiffness of the nanotubes was not affected. The nanotube size was found to play a minimal role in the tensile behavior of SW-defected SWCNTs; only in cases of very small nanotube diameters, where the fraction of defect area to the nanotube area is high, was a larger decrease in the failure stress predicted. (C) 2006 Elsevier Ltd. All rights reserved.	en
heal.publisher	ELSEVIER SCI LTD	en
heal.journalName	Composite Structures	en
dc.identifier.doi	10.1016/j.compstruct.2006.02.020	en
dc.identifier.isi	ISI:000246900000013	en
dc.identifier.volume	79	en
dc.identifier.issue	4	en
dc.identifier.spage	581	en
dc.identifier.epage	589	en