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Non-local viscosity from the Green–Kubo formula

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dc.contributor.authorDuque Zumajo, Diego
dc.contributor.authorTorre Rodríguez, Jaime Arturo de la
dc.contributor.authorEspañol Garrigos, José
dc.contributor.orcidhttps://orcid.org/0000-0001-7055-5835
dc.contributor.orcidhttps://orcid.org/0000-0002-1657-0820
dc.date.accessioned2024-11-29T08:23:02Z
dc.date.available2024-11-29T08:23:02Z
dc.date.issued2020-05-07
dc.descriptionThe registered version of this article, first published in “The Journal of Chemical Physics Volumen: 152", is available online at the publisher's website: AIP Publishing, https://doi.org/10.1063/5.0006212 La versión registrada de este artículo, publicado por primera vez en “The Journal of Chemical Physics Volumen: 152", está disponible en línea en el sitio web del editor: AIP Publishing, https://doi.org/10.1063/5.0006212
dc.description.abstractWe study through MD simulations the correlation matrix of the discrete transverse momentum density field in real space for an unconfined Lennard-Jones fluid at equilibrium. Mori theory predicts this correlation under the Markovian approximation from the knowledge of the non-local shear viscosity matrix, which is given in terms of a Green–Kubo formula. However, the running Green–Kubo integral for the non-local shear viscosity does not have a plateau. By using a recently proposed correction for the Green–Kubo formula that eliminates the plateau problem [Español et al., Phys. Rev. E 99, 022126 (2019)], we unambiguously obtain the actual non-local shear viscosity. The resulting Markovian equation, being local in time, is not valid for very short times. We observe that the Markovian equation with non-local viscosity gives excellent predictions for the correlation matrix from a time at which the correlation is around 80% of its initial value. A local in space approximation for the viscosity gives accurate results only after the correlation has decayed to 40% of its initial value.en
dc.description.versionversión final
dc.identifier.citationD Duque-Zumajo, JA De La Torre, Pep Español, 2020. Non-local viscosity from the Green–Kubo formula, The Journal of Chemical Physics Volumen: 152 Número: 17, https://doi.org/10.1063/5.0006212
dc.identifier.doihttps://doi.org/10.1063/5.0006212
dc.identifier.issn0021-9606 | eISSN 1089-7690
dc.identifier.urihttps://hdl.handle.net/20.500.14468/24577
dc.journal.issue17
dc.journal.titleThe Journal of Chemical Physics
dc.journal.volume158
dc.language.isoen
dc.page.initial174108
dc.publisherAmerican Institute of Physics (AIP)
dc.relation.centerFacultad de Ciencias
dc.relation.departmentFísica Fundamental
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
dc.subject.keywordsMolecular dynamicsen
dc.subject.keywordsFinite-element analysisen
dc.subject.keywordsOperator theoryen
dc.subject.keywordsNanofluidicsen
dc.subject.keywordsLennard-Jones fluiden
dc.subject.keywordsHydrodynamicsen
dc.subject.keywordsViscosityen
dc.subject.keywordsStatistical thermodynamicsen
dc.titleNon-local viscosity from the Green–Kubo formulaen
dc.typeartículoes
dc.typejournal articleen
dspace.entity.typePublication
relation.isAuthorOfPublicationc1a506e5-c37a-4d9c-a63a-5809431cb24c
relation.isAuthorOfPublication.latestForDiscoveryc1a506e5-c37a-4d9c-a63a-5809431cb24c
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