Numerical study of the Steady State Fluctuation Relations Far from Equilibrium
| dc.contributor.author | Williams, Stephen R. | |
| dc.contributor.author | Searles, Debra J. | |
| dc.contributor.author | Evans, Denis J. | |
| dc.date.accessioned | 2015-10-07T00:30:31Z | |
| dc.date.available | 2015-10-07T00:30:31Z | |
| dc.date.issued | 2006-05-15 | |
| dc.date.updated | 2015-12-12T07:55:42Z | |
| dc.description.abstract | A 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.sponsorship | The 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.issn | 0021-9606 | en_AU |
| dc.identifier.uri | http://hdl.handle.net/1885/15787 | |
| dc.publisher | American Institute of Physics | |
| dc.rights | http://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.source | Journal of Chemical Physics | |
| dc.subject | Keywords: 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.title | Numerical study of the Steady State Fluctuation Relations Far from Equilibrium | |
| dc.type | Journal article | |
| local.bibliographicCitation.issue | 19 | en_AU |
| local.bibliographicCitation.lastpage | 9 | |
| local.bibliographicCitation.startpage | 194102 | en_AU |
| local.contributor.affiliation | Williams, Stephen, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | en_AU |
| local.contributor.affiliation | Searles, Debra, Griffith University, Australia | en_AU |
| local.contributor.affiliation | Evans, Denis, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | en_AU |
| local.contributor.authoruid | U4072500 | en_AU |
| local.description.notes | Imported from ARIES | en_AU |
| local.description.refereed | Yes | |
| local.identifier.absfor | 030704 | en_AU |
| local.identifier.ariespublication | MigratedxPub13702 | en_AU |
| local.identifier.citationvolume | 124 | en_AU |
| local.identifier.doi | 10.1063/1.2196411 | en_AU |
| local.identifier.scopusID | 2-s2.0-34547554530 | |
| local.publisher.url | https://www.aip.org/ | en_AU |
| local.type.status | Published Version | en_AU |
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