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Numerical study of the Steady State Fluctuation Relations Far from Equilibrium

dc.contributor.authorWilliams, Stephen R.
dc.contributor.authorSearles, Debra J.
dc.contributor.authorEvans, Denis J.
dc.date.accessioned2015-10-07T00:30:31Z
dc.date.available2015-10-07T00:30:31Z
dc.date.issued2006-05-15
dc.date.updated2015-12-12T07:55:42Z
dc.description.abstractA thermostatted dynamical model with five degrees of freedom is used to test the fluctuation relation of Evans and Searles (Ω-FR) and that of Gallavotti and Cohen (Λ-FR). In the absence of an external driving field, the model generates a time-independent ergodic equilibrium state with two conjugate pairs of Lyapunov exponents. Each conjugate pair sums to zero. The fluctuation relations are tested numerically both near and far from equilibrium. As expected from previous work, near equilibrium the Ω-FR is verified by the simulation data while the Λ-FR is not confirmed by the data. Far from equilibrium where a positive exponent in one of these conjugate pairs becomes negative, we test a conjecture regarding the Λ-FR [Bonetto et al., Physica D105, 226 (1997); Giuliani et al., J. Stat. Phys.119, 909 (2005)]. It was conjectured that when the number of nontrivial Lyapunov exponents that are positive becomes less than the number of such negative exponents, then the form of the Λ-FR needs to be corrected. We show that there is no evidence for this conjecture in the empirical data. In fact, when the correction factor differs from unity, the corrected form of Λ-FR is less accurate than the uncorrected Λ-FR. Also as the field increases the uncorrected Λ-FR appears to be satisfied with increasing accuracy. The reason for this observation is likely to be that as the field increases, the argument of the Λ-FR more and more accurately approximates the argument of the Ω-FR. Since the Ω-FR works for arbitrary field strengths, the uncorrected Λ-FR appears to become ever more accurate as the field increases. The final piece of evidence against the conjecture is that when the smallest positive exponent changes sign, the conjecture predicts a discontinuous change in the “correction factor” for Λ-FR. We see no evidence for a discontinuity at this field strength.
dc.description.sponsorshipThe authors wish to thank the Australian Research Council, The Queensland Parallel Computing Facility, and the Australian Partnership for Advanced Computing for support of this work.en_AU
dc.identifier.issn0021-9606en_AU
dc.identifier.urihttp://hdl.handle.net/1885/15787
dc.publisherAmerican Institute of Physics
dc.rightshttp://www.sherpa.ac.uk/romeo/issn/0021-9606..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 7/10/15). Copyright 2006 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics and may be found at https://doi.org/10.1063/1.2196411
dc.sourceJournal of Chemical Physics
dc.subjectKeywords: Approximation theory; Degrees of freedom (mechanics); Electron energy levels; Lyapunov methods; Arbitrary field strengths; Ergodic equilibrium state; Fluctuation relations; Thermostatted dynamical model; Molecular dynamics
dc.titleNumerical study of the Steady State Fluctuation Relations Far from Equilibrium
dc.typeJournal article
local.bibliographicCitation.issue19en_AU
local.bibliographicCitation.lastpage9
local.bibliographicCitation.startpage194102en_AU
local.contributor.affiliationWilliams, Stephen, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National Universityen_AU
local.contributor.affiliationSearles, Debra, Griffith University, Australiaen_AU
local.contributor.affiliationEvans, Denis, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National Universityen_AU
local.contributor.authoruidU4072500en_AU
local.description.notesImported from ARIESen_AU
local.description.refereedYes
local.identifier.absfor030704en_AU
local.identifier.ariespublicationMigratedxPub13702en_AU
local.identifier.citationvolume124en_AU
local.identifier.doi10.1063/1.2196411en_AU
local.identifier.scopusID2-s2.0-34547554530
local.publisher.urlhttps://www.aip.org/en_AU
local.type.statusPublished Versionen_AU

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