Resolution of Loschmidt’s paradox: The origin of irreversible behavior in reversible atomistic dynamics

Brad Lee Holian, William G. Hoover, and Harald A. Posch
Phys. Rev. Lett. 59, 10 – Published 6 July 1987
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Abstract

We show that Nosromanē mechanics provides a link between computer simulations of nonequilibrium processes and real-world experiments. Reversible Nose¯ equations of motion, when used to constrain non- equilibrium boundary regions, generate stable dissipative behavior within an adjoining bulk sample governed by Newton’s equations of motion. Thus, irreversible behavior consistent with the second law of thermodynamics arises from completely reversible microscopic motion. Loschmidt’s reversibility paradox is surmounted by this Nose¯-Newton system, because the steady-state nonequilibrium probability density in the many-body phase space is confined to a zero-volume attractor.

  • Received 4 May 1987

DOI:https://doi.org/10.1103/PhysRevLett.59.10

©1987 American Physical Society

Authors & Affiliations

Brad Lee Holian

  • Theoretical Division, University of California, Los Alamos National Laboratory, Los Alamos, New Mexico 87545

William G. Hoover

  • Department of Applied Science, University of California at Davis/Livermore, and Department of Physics, Lawrence Livermore National Laboratory, Livermore, California 94550

Harald A. Posch

  • Institute for Experimental Physics, University of Vienna, A-1090 Vienna, Austria

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Vol. 59, Iss. 1 — 6 July 1987

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