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dc.contributor.authorCui, Bingyu
dc.contributor.authorGebbia, Jonathan Fernando
dc.contributor.authorRomanini, Michela
dc.contributor.authorFernandez Perea, Ricardo
dc.contributor.authorBermejo, F. J.
dc.contributor.authorTamarit Mur, José Luis
dc.contributor.authorZaccone, Asessio
dc.contributor.otherUniversitat Politècnica de Catalunya. Doctorat en Física Computacional i Aplicada
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament de Física
dc.date.accessioned2021-01-27T14:14:51Z
dc.date.available2021-01-27T14:14:51Z
dc.date.issued2020-03-20
dc.identifier.citationCui, B. [et al.]. Secondary relaxation in the terahertz range in 2-adamantanone from theory and experiments. "Physical review. B.", 20 Març 2020, vol. 101, núm. 10, p. 1-8.
dc.identifier.issn2469-9950
dc.identifier.urihttp://hdl.handle.net/2117/336105
dc.description.abstractWe applied the recently developed Generalized Langevin equation (GLE) approach for dielectric response of liquids and glasses to link the vibrational density of states (VDOS) to the dielectric response of a model orientational glass. The dielectric functions calculated based on the GLE, with VDOS obtained in experiments and simulations as input, are compared with experimental data for the paradigmatic case of 2-adamantanone at various temperatures. The memory function is related to the integral of the VDOS times a spectral coupling function ¿(¿p), which tells the degree of dynamical coupling between molecular degrees of freedom at different eigenfrequencies. With respect to previous empirical fittings, the GLE-based fitting reveals a broader temperature range over which the secondary relaxation is active. Furthermore, the theoretical analysis provides clear evidence of secondary relaxation being localized within the THz (0.5-1 THz) range of eigenfrequencies, and thus not too far from the low-energy modes involved in a relaxation. In the same THz region, the same material displays a crowding of low-energy optical modes that may be related to the secondary relaxation.
dc.format.extent8 p.
dc.language.isoeng
dc.publisherAmerican Physical Society (APS)
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Física
dc.subject.lcshThermodynamics
dc.subject.lcshMetallic glasses
dc.titleSecondary relaxation in the terahertz range in 2-adamantanone from theory and experiments
dc.typeArticle
dc.subject.lemacTermodinàmica
dc.subject.lemacVidres metàl·lics
dc.contributor.groupUniversitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
dc.identifier.doi10.1103/PhysRevB.101.104202
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttps://journals.aps.org/prb/abstract/10.1103/PhysRevB.101.104202
dc.rights.accessOpen Access
local.identifier.drac28686885
dc.description.versionPostprint (published version)
local.citation.authorCui, B.; Gebbia, J. F.; Romanini, M.; Fernandez- Perea, R.; Bermejo, F. J.; Tamarit, J. Ll.; Zaconne, A.
local.citation.publicationNamePhysical review. B.
local.citation.volume101
local.citation.number10
local.citation.startingPage1
local.citation.endingPage8


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