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dc.contributor.author
Caballero, Nirvana Belén
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Zuriaga, Mariano Jose
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Tamarit, Josep Lluís
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Serra, Pablo
dc.date.available
2018-11-28T17:46:02Z
dc.date.issued
2017-11
dc.identifier.citation
Caballero, Nirvana Belén; Zuriaga, Mariano Jose; Tamarit, Josep Lluís; Serra, Pablo; Dynamic heterogeneity in an orientational glass; American Institute of Physics; Journal of Chemical Physics; 147; 18; 11-2017; 1-8; 184501
dc.identifier.issn
0021-9606
dc.identifier.uri
http://hdl.handle.net/11336/65458
dc.description.abstract
The family of compounds CBrnCl4-n has been proven helpful in unraveling microscopic mechanisms responsible for glassy behavior. Some of the family members show translational ordered phases with minimal disorder which appears to reveal glassy features, thus deserving special attention in the search for universal glass anomalies. In this work, we studied CBrCl3 dynamics by performing extensive molecular dynamics simulations. Molecules of this compound perform reorientational discrete jumps, where the atoms exchange equivalent positions among each other revealing a cage-orientational jump motion fully comparable to the cage-rototranslational jump motion in supercooled liquids. Correlation times were calculated from rotational autocorrelation functions showing good agreement with previous reported dielectric results. From mean waiting and persistence times calculated directly from trajectory results, we are able to explain which microscopic mechanisms lead to characteristic times associated with α- and β-relaxation times measured experimentally. We found that two nonequivalent groups of molecules have a longer characteristic time than the other two nonequivalent groups, both of them belonging to the asymmetric unit of the monoclinic (C2/c) lattice.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Institute of Physics
dc.rights
info:eu-repo/semantics/embargoedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Heterogeneidad
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Dinamica
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Vidrios
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Dinamica Molecular
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Astronomía
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Dynamic heterogeneity in an orientational glass
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-10-23T21:21:26Z
dc.journal.volume
147
dc.journal.number
18
dc.journal.pagination
1-8; 184501
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Nueva York
dc.description.fil
Fil: Caballero, Nirvana Belén. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
dc.description.fil
Fil: Zuriaga, Mariano Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
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Fil: Tamarit, Josep Lluís. Universidad Politécnica de Catalunya; España
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Fil: Serra, Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
dc.journal.title
Journal of Chemical Physics
dc.rights.embargoDate
2018-12-01
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/full/10.1063/1.5004671
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1063/1.5004671
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