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dc.contributor.author
Soldano, Germán
dc.contributor.author
Zanotto, Franco Martín
dc.contributor.author
Mariscal, Marcelo
dc.date.available
2018-06-06T14:44:04Z
dc.date.issued
2015-04-21
dc.identifier.citation
Soldano, Germán; Zanotto, Franco Martín; Mariscal, Marcelo; Mechanical stability of zinc oxide nanowires under tensile loading: Is wurtzite stable at the nanoscale?; Royal Society of Chemistry; RSC Advances; 5; 54; 21-4-2015; 43563-43570
dc.identifier.issn
2046-2069
dc.identifier.uri
http://hdl.handle.net/11336/47460
dc.description.abstract
The mechanical response of zinc oxide nanowires under uniaxial tensile loading is investigated by molecular dynamics and supported by density functional calculations. Previous theoretical works predict a stress-induced phase transition which has not been observed experimentally in zinc oxide nanowires up to date. Here, we report an explanation for such a discrepancy. Our simulations reveal brittle failure at room temperature without phase transformation, in agreement with experiments. Interestingly, we also find that if the temperature is raised to 600 K, the phase transition occurs. A detailed reaction mechanism is proposed. For the first time, the associated rate constant has been calculated. Based on these results we propose an experimental procedure to finally observe the predicted phase transformation.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.subject
Zno Nanowires
dc.subject
Mechanical Stress
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Phase Transition
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Rate Constant
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Density Functional Theory
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Molecular Dynamics
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Otras Ciencias Químicas
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Mechanical stability of zinc oxide nanowires under tensile loading: Is wurtzite stable at the nanoscale?
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-04-26T17:54:38Z
dc.journal.volume
5
dc.journal.number
54
dc.journal.pagination
43563-43570
dc.journal.pais
Reino Unido
dc.description.fil
Fil: Soldano, Germán. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Zanotto, Franco Martín. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.description.fil
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
dc.journal.title
RSC Advances
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2015/RA/C5RA04518E
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C5RA04518E
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