Finite element modeling of single-walled carbon nanotubes

Tserpes, KI; Papanikos, P

dc.contributor.author	Tserpes, KI	en
dc.contributor.author	Papanikos, P	en
dc.date.accessioned	2014-03-01T01:22:25Z
dc.date.available	2014-03-01T01:22:25Z
dc.date.issued	2005	en
dc.identifier.issn	1359-8368	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/16557
dc.subject	A. Nano-structures	en
dc.subject	B. Mechanical properties	en
dc.subject	C. Finite element analysis (FEA)	en
dc.subject	Carbon nanotubes	en
dc.subject.classification	Engineering, Multidisciplinary	en
dc.subject.classification	Materials Science, Composites	en
dc.subject.other	Chemical bonds	en
dc.subject.other	Continuum mechanics	en
dc.subject.other	Elastic moduli	en
dc.subject.other	Finite element method	en
dc.subject.other	Mathematical models	en
dc.subject.other	Mechanical properties	en
dc.subject.other	Nanostructured materials	en
dc.subject.other	Stiffness matrix	en
dc.subject.other	Chirality	en
dc.subject.other	Elastic beam elements	en
dc.subject.other	Multi-walled carbon nanotubes (MWCNT)	en
dc.subject.other	Single-walled carbon nanotubes (SWCNT)	en
dc.subject.other	Carbon nanotubes	en
dc.title	Finite element modeling of single-walled carbon nanotubes	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.compositesb.2004.10.003	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.compositesb.2004.10.003	en
heal.language	English	en
heal.publicationDate	2005	en
heal.abstract	A three-dimensional finite element (FE) model for armchair, zigzag and chiral single-walled carbon nanotubes (SWCNTs) is proposed. The model development is based on the assumption that carbon nanotubes, when subjected to loading, behave like space-frame structures. The bonds between carbon atoms are considered as connecting load-carrying members, while the carbon atoms as joints of the members. To create the FE models, nodes are placed at the locations of carbon atoms and the bonds between them are modeled using three-dimensional elastic beam elements. The elastic moduli of beam elements are determined by using a linkage between molecular and continuum mechanics. In order to evaluate the FE model and demonstrate its performance, the influence of tube wall thickness, diameter and chirality on the elastic moduli (Young's modulus and shear modulus) of SWCNTs is investigated. The investigation includes armchair, zigzag and chiral SWCNTs. It is found that the choice of wall thickness significantly affects the calculation of Young's modulus. For the values of wall thickness used in the literature, the obtained values of Young's modulus agree very well with the corresponding theoretical results and many experimental measurements. Dependence of elastic moduli to diameter and chirality of the nanotubes is also obtained. With increased tube diameter, the elastic moduli of the SWCNTs increase. The Young's modulus of chiral SWCNTs is found to be larger than that of armchair and zigzag SWCNTs. The presented results demonstrate that the proposed FE model may provide a valuable tool for studying the mechanical behavior of carbon nanotubes and their integration in nano-composites. &COPY; 2005 Elsevier Ltd. All rights reserved.	en
heal.publisher	ELSEVIER SCI LTD	en
heal.journalName	Composites Part B: Engineering	en
dc.identifier.doi	10.1016/j.compositesb.2004.10.003	en
dc.identifier.isi	ISI:000229063600011	en
dc.identifier.volume	36	en
dc.identifier.issue	5	en
dc.identifier.spage	468	en
dc.identifier.epage	477	en