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1

Information Dimensions of Simple Four-Dimensional Flows

Hoover William Graham, Hoover Carol Griswold, Travis Karl Patrick

Computational Methods in Science and Technology

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2023

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Vol. 29, No. 1-4

21--26

EN

Baker Maps have long served as pedagogical tools for understanding chaos and fractal phase-space distributions. Recent work [1], following earlier efforts from 1997 [2], shows that the Kaplan-Yorke formula for information dimension disagrees with direct computation for some simple compressible Baker Maps. Here we extend this map work to simple continuous flows. We compare pointwise information dimensions to the Kaplan-Yorke dimension for a simple four-dimensional flow [3] controlling both ⟨p 4 ⟩ and ⟨p 2 ⟩: { q˙ = p ; ˙p = −q − ξp3 − ζp ; ˙ξ = p 4 − 3p 2 ; ˙ζ = p 2 − T }. Precisely similar sets of Gaussian points could be generated with Metropolis’ Monte-Carlo simulations of harmonic oscillators in Gibbs’ canonical ensemble with f(q) = e −q 2/2 / p (2π). Remarkably, we show that the dependence of the pointwise information dimension for the Gaussian distribution is linear in the inverse of the logarithm of the mesh spacing, ∝ 1/ ln(1/δ). The Hoover-Holian Gaussian oscillator problem [3] can be generalized [2–4] to some nonequilibrium steady-state problems by introducing a temperature-gradient parameter ϵ. In that case the temperature T varies from 1 − ϵ to 1 + ϵ : T = 1 + ϵ tanh(q) so that both conservative (ϵ = 0) and dissipative (ϵ > 0) flows result.

2

A Quarter Century of Baker-Map Exploration

Hoover William Graham, Hoover Carol Griswold

Computational Methods in Science and Technology

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2023

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Vol. 29, No. 1-4

5--16

EN

25 years ago the June 1998 Focus Issue of “Chaos” described the proceedings of a workshop meeting held in Budapest and called “Chaos and Irreversibility”, by the organizers, T. Tél, P. Gaspard, and G. Nicolis. These editors organized the meeting and the proceedings’ issue. They emphasized the importance of fractal structures and Lyapunov instability to modelling nonequilibrium steady states. Several papers concerning maps were presented. Ronald Fox considered the entropy of the incompressible Baker Map B(x, y), shown here in Fig. 1. He found that the limiting probability density after many applications of the map is ambiguous, depending upon the way the limit is approached. Harald Posch and Bill Hoover considered a time-reversible version of a compressible Baker Map, with the compressibility modelling thermostatting. Now, 25 years later, we have uncovered a similar ambiguity, with the information dimension of the probability density giving one value from pointwise averaging and a different one with areawise averaging. Goldstein, Lebowitz, and Sinai appear to consider similar ambiguities. Tasaki, Gilbert, and Dorfman note that the Baker Map probability density is singular everywhere, though integrable over the fractal y coordinate. Breymann, Tél, and Vollmer considered the concatenation of Baker Maps into MultiBaker Maps, as a step toward measuring spatial transport with dynamical systems. The present authors have worked on Baker Maps ever since the 1997 Budapest meeting described in “Chaos”. This paper provides a number of computational benchmark simulations of “Generalized Baker Maps” (where the compressibility of the Map is varied or “generalized”) as described by Kumicák in 2005.

3

Aspects of Dynamical Simulations, Emphasizing Nosé and Nosé-Hoover Dynamics and the Compressible Baker Map

Hoover W. G., Hoover C. G.

Computational Methods in Science and Technology

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2019

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Vol. 25, No. 3

125--141

EN

Aspects of the Nosé and Nosé-Hoover dynamics developed in 1983–1984 along with Dettmann’s closely related dynamics of 1996, are considered. We emphasize paradoxes associated with Liouville’s Theorem. Our account is pedagogical, focused on the harmonic oscillator for simplicity, though exactly the same ideas can be, and have been, applied to manybody systems. Nosé, Nosé-Hoover, and Dettmann flows were all developed in order to access Gibbs’ canonical ensemble directly from molecular dynamics. Unlike Monte Carlo algorithms dynamical flow models are often not ergodic and so can fail to reproduce Gibbs’ ensembles. Accordingly we include a discussion of ergodicity, the visiting of all relevant microstates corresponding to the desired ensemble. We consider Lyapunov instability too, the usual mechanism for phasespace mixing. We show that thermostated harmonic oscillator dynamics can be simultaneously expanding, incompressible, or contracting, depending upon the chosen “phase space”. The fractal nature of nonequilibrium flows is also illustrated for two simple two-dimensional models, the hard-disk-based Galton Board and the time-reversible Baker Map. The simultaneous treatment of flows as one-dimensional and many-dimensional suggests some interesting topological problems for future investigations.