Nonequilibrium Molecular Dynamics, Fractal Phase-Space Distributions, the Cantor Set, and Puzzles Involving Information Dimensions for Two Compressible Baker Maps
2020, Volume 25, Number 5, pp. 412-423
Author(s): Hoover W. G., Hoover C. G.
Author(s): Hoover W. G., Hoover C. G.
Deterministic and time-reversible nonequilibrium molecular dynamics simulations
typically generate “fractal” (fractional-dimensional) phase-space distributions. Because these
distributions and their time-reversed twins have zero phase volume, stable attractors “forward
in time” and unstable (unobservable) repellors when reversed, these simulations are consistent
with the second law of thermodynamics. These same reversibility and stability properties can
also be found in compressible baker maps, or in their equivalent random walks, motivating their
careful study. We illustrate these ideas with three examples: a Cantor set map and two linear
compressible baker maps, N2$(q, p)$ and N3$(q, p)$. The two baker maps’ information dimensions
estimated from sequential mappings agree, while those from pointwise iteration do not, with the
estimates dependent upon details of the approach to the maps’ nonequilibrium steady states.
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