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dc.contributor.authorGuo, J.
dc.contributor.authorWen, B.
dc.contributor.authorMelnik, R. 
dc.date.accessioned2017-02-21T08:16:48Z
dc.date.available2017-02-21T08:16:48Z
dc.date.issued2012-12-31
dc.identifier.issn1546-1955
dc.identifier.urihttp://hdl.handle.net/20.500.11824/419
dc.description.abstractUsing molecular dynamics simulations, strain rate, temperature, size and orientation dependent mechanical properties of zinc oxide (ZnO) nanowire are carried out with tensile loading. It is found that, for the same cross-sectional areas, strain rates have almost no effect on Young's modulus, provided strain rates are within the range from 0.001 to 0.03 ps-1. Our calculated results have also demonstrated that, as temperature ranging from 200 K to 1600 K, ZnO nanowires' Young's modulus are all monotonically decreasing with increasing temperature. Furthermore, at the temperature of 300 K, yield strength, Young's modulus, fracture strength and fracture strain increase dramatically with increasing cross sectional area. It is also demonstrated that, with increasing cross sectional area, the Young's modulus of ZnO nanowires eventually approaching that of bulk single-crystal ZnO. Finally, orientation dependent ZnO mechanical properties of nanowires have been studied at 300 K.
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dc.language.isoengen_US
dc.rightsReconocimiento-NoComercial-CompartirIgual 3.0 Españaen_US
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/3.0/es/en_US
dc.subjectAtomistic Methods
dc.subjectMechanical Properties
dc.subjectMolecular Dynamics
dc.subjectOrientation Dependent Properties
dc.subjectSize Effects
dc.subjectStrain Rates
dc.subjectTemperature Dependent Properties
dc.subjectZnO Nanowires
dc.titleMolecular dynamics study on ZnO nanowires mechanical properties: Strain rate, temperature and size dependent effects
dc.typeinfo:eu-repo/semantics/articleen_US
dc.identifier.doi10.1166/jctn.2012.2629
dc.relation.publisherversionhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-84876533201&doi=10.1166%2fjctn.2012.2629&partnerID=40&md5=d63de9ea833e232443bcfa8416359fd4
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessen_US
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersionen_US
dc.journal.titleJournal of Computational and Theoretical Nanoscienceen_US


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Reconocimiento-NoComercial-CompartirIgual 3.0 España
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