Macroscopic properties of carbon nanotubes from molecular-mechanics simulations

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dc.contributorVirginia Techen
dc.contributor.authorSears, A.en
dc.contributor.authorBatra, Romesh C.en
dc.contributor.departmentBiomedical Engineering and Mechanicsen
dc.date.accessed2014-04-23en
dc.date.accessioned2014-05-07T15:37:01Zen
dc.date.available2014-05-07T15:37:01Zen
dc.date.issued2004-06-01en
dc.description.abstractResults of molecular-mechanics simulations of axial and torsional deformations of a single wall carbon nanotube are used to find Young's modulus, the shear modulus, and the wall thickness of an equivalent continuum tube made of a linear elastic isotropic material. These values are used to compare the response of the continuum tube in bending and buckling with that obtained from the molecular mechanics simulations. It is found that the strain energy of bending deformation computed from the Euler-Bernoulli beam theory matches well with that obtained from the molecular-mechanics simulations. The molecular-mechanics predictions of the critical strains for axial buckling and shell wall buckling do not match well with those derived from the Euler buckling formula and the Donnell shell theory.en
dc.description.sponsorshipAFOSR MURI grant to Georgia Institute of Technologyen
dc.description.sponsorshipONR Grant No. N00014-98-1-0300en
dc.description.sponsorshipARO Grant No. DAAD19-01-1-0657en
dc.description.sponsorshipNASA Space Consortium grant to Virginia Polytechnic Institute and State Universityen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationSears, A.; Batra, R. C., "Macroscopic properties of carbon nanotubes from molecular-mechanics simulations," Phys. Rev. B 69, 235406 DOI: http://dx.doi.org/10.1103/PhysRevB.69.235406en
dc.identifier.doihttps://doi.org/10.1103/PhysRevB.69.235406en
dc.identifier.issn1098-0121en
dc.identifier.urihttp://hdl.handle.net/10919/47861en
dc.identifier.urlhttp://journals.aps.org/prb/abstract/10.1103/PhysRevB.69.235406en
dc.language.isoen_USen
dc.publisherAmerican Physical Societyen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectNanoscale graphitic tubulesen
dc.subjectElastic propertiesen
dc.subjectYoungs modulusen
dc.subjectHydrocarbonsen
dc.subjectStrengthen
dc.subjectStrainen
dc.subjectPhysicsen
dc.subjectCondensed matteren
dc.titleMacroscopic properties of carbon nanotubes from molecular-mechanics simulationsen
dc.title.serialPhysical Review Ben
dc.typeArticle - Refereeden
dc.type.dcmitypeTexten

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