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dc.contributor.authorBernardi, Stefano
dc.contributor.authorTodd, B.
dc.contributor.authorHansen, J.
dc.contributor.authorBernhardt, Debra
dc.contributor.authorFrascoli, Federico
dc.date.accessioned2017-05-03T12:18:50Z
dc.date.available2017-05-03T12:18:50Z
dc.date.issued2010
dc.date.modified2010-09-17T07:06:42Z
dc.identifier.issn00219606
dc.identifier.doi10.1063/1.3446809
dc.identifier.urihttp://hdl.handle.net/10072/34081
dc.description.abstractIn this work we present nonequilibrium molecular dynamics simulation results for the Lyapunov spectra of atomic fluids confined in narrow channels of the order of a few atomic diameters. We show the effect that realistic walls have on the Lyapunov spectra. All the degrees of freedom of the confined system have been considered. Two different types of flow have been simulated: planar Couette flow and planar Poiseuille flow. Several studies exist on the former for homogeneous flows, so a direct comparison with previous results is performed. An important outcome of this work is the demonstration of how the spectrum reflects the presence of two different dynamics in the system: one for the unthermostatted fluid atoms and the other one for the thermostatted and tethered wall atoms. In particular the Lyapunov spectrum of the whole system does not satisfy the conjugate-pairing rule. Two regions are instead distinguishable, one with negative pairs' sum and one with a sum close to zero. To locate the different contributions to the spectrum of the system, we computed "approximate" Lyapunov exponents belonging to the phase space generated by the thermostatted area and the unthermostatted area alone. To achieve this, we evolved Lyapunov vectors projected into a reduced dimensional phase space. We finally observe that the phase-space compression due to the thermostat remains confined into the wall region and does not significantly affect the purely Newtonian fluid region.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.publisher.placeUnited States
dc.relation.ispartofstudentpublicationN
dc.relation.ispartofpagefrom244508-1
dc.relation.ispartofpageto244508-11
dc.relation.ispartofissue24
dc.relation.ispartofjournalThe Journal of Chemical Physics
dc.relation.ispartofvolume132
dc.rights.retentionY
dc.subject.fieldofresearchSoft Condensed Matter
dc.subject.fieldofresearchSurfaces and Structural Properties of Condensed Matter
dc.subject.fieldofresearchTransport Properties and Non-Equilibrium Processes
dc.subject.fieldofresearchPhysical Sciences
dc.subject.fieldofresearchChemical Sciences
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchcode020405
dc.subject.fieldofresearchcode020406
dc.subject.fieldofresearchcode030607
dc.subject.fieldofresearchcode02
dc.subject.fieldofresearchcode03
dc.subject.fieldofresearchcode09
dc.titleLyapunov spectra and conjugate-pairing rule for confined atomic fluids
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.date.issued2010
gro.hasfulltextNo Full Text
gro.griffith.authorBernhardt, Debra J.
gro.griffith.authorBernardi, Stefano


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