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A molecular structural mechanics model applied to the static behavior of single-walled carbon nanotubes: New general formulation

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A molecular structural mechanics model applied to the static behavior of single-walled carbon nanotubes: New general formulation

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dc.contributor.author Merli Gisbert, Rafael es_ES
dc.contributor.author Lazaro, Carlos es_ES
dc.contributor.author Monleón Cremades, Salvador es_ES
dc.contributor.author Domingo Cabo, Alberto es_ES
dc.date.accessioned 2014-12-15T08:44:41Z
dc.date.available 2014-12-15T08:44:41Z
dc.date.issued 2013-10
dc.identifier.issn 0045-7949
dc.identifier.uri http://hdl.handle.net/10251/45424
dc.description.abstract A new general formulation for the mechanical behavior of Single-Walled Carbon Nanotubes is presented. Carbon atoms are located at the nodes of an hexagonal honeycomb lattice wrapped into a cylinder. They are linked by covalent C C bonds represented by a truss or spring element, and the three-body interaction among two neighboring covalent bonds is reproduced by a rotational spring. The main advantage of our approach is to allow general load conditions (and any chirality) with no need of specific formulation for each load case, in contrast with previous works [26], [27] and [31]. Four load configurations are adopted: tension, compression, bending and torsion of cantivelered SWCNTs. Calculations with our own codes for both AMBER and Morse potential functions have been carried out, aimed to compare their final results. Initial positions of the atoms (nodes) into nanotube cylindrical geometry has been reproduced in great detail by means of a conformal mapping from the planar graphene sheet. Therefore, the effect of initial SWCNTs curvature has been introduced explicitly through a system of initial stresses (prestressed state) which contribute to maintain their circular cross-section. Numerical results and deformed shapes for nanotubes with several diameters and chiralities under each load case are used to obtain their mechanical parameters with the only objective of checking the present formulation with previous works [28], [30], [20] and [24]. Also, the significance of the atomistic discrete simulations at the nano-scale size against other continuum models is underlined. es_ES
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Computers and Structures es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Single-walled carbon nanotubes es_ES
dc.subject Molecular structural mechanics es_ES
dc.subject AMBER potential es_ES
dc.subject Morse potential es_ES
dc.subject Prestressed state es_ES
dc.subject Graphene sheet es_ES
dc.subject.classification MECANICA DE LOS MEDIOS CONTINUOS Y TEORIA DE ESTRUCTURAS es_ES
dc.subject.classification INGENIERIA DE LA CONSTRUCCION es_ES
dc.title A molecular structural mechanics model applied to the static behavior of single-walled carbon nanotubes: New general formulation es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.compstruc.2012.11.023
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Mecánica de los Medios Continuos y Teoría de Estructuras - Departament de Mecànica dels Medis Continus i Teoria d'Estructures es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Ingeniería de la Construcción y de Proyectos de Ingeniería Civil - Departament d'Enginyeria de la Construcció i de Projectes d'Enginyeria Civil es_ES
dc.description.bibliographicCitation Merli Gisbert, R.; Lazaro, C.; Monleón Cremades, S.; Domingo Cabo, A. (2013). A molecular structural mechanics model applied to the static behavior of single-walled carbon nanotubes: New general formulation. Computers and Structures. 127:68-87. doi:10.1016/j.compstruc.2012.11.023 es_ES
dc.description.accrualMethod Senia es_ES
dc.relation.publisherversion http://dx.doi.org/10.1016/j.compstruc.2012.11.023 es_ES
dc.description.upvformatpinicio 68 es_ES
dc.description.upvformatpfin 87 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 127 es_ES
dc.relation.senia 249884


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