Time-Symmetry Breaking in Hamiltonian Mechanics. II. A Memoir for Berni Julian Alder [1925-2020]

TL;DR

This paper explores time-reversal symmetry in Hamiltonian mechanics through shockwave simulations, revealing irreversibility and symmetry-breaking phenomena that support the Second Law of Thermodynamics.

Contribution

It introduces a reversible many-body algorithm and demonstrates symmetry-breaking in shockwave and rarefaction simulations, linking microscopic reversibility to macroscopic irreversibility.

Findings

Reversed shockwave simulations produce nonsteady rarefaction waves.

Lyapunov instabilities reveal symmetry-breaking in time-reversible models.

Development of a precisely-reversible many-body simulation algorithm.

Abstract

This memoir honors the late Berni Julian Alder, who inspired both of us with his pioneering development of molecular dynamics. Berni's work with Tom Wainwright, described in the 1959 Scientific American[1], brought Bill to interview at Livermore in 1962. Hired by Berni, Bill enjoyed over 40 years' research at the Laboratory. Berni, along with Edward Teller, founded UC's Department of Applied Science in 1963. Their motivation was to attract bright students to use the laboratory's unparalleled research facilities. In 1972 Carol was offered a joint LLNL employee-DAS student appointment at Livermore. Bill, thanks to Berni's efforts, was already a Professor at DAS. Carol became one of Bill's best students. Berni's influence was directly responsible for our physics collaboration and our marriage in 1989. The present work is devoted to two early interests of Berni's, irreversibility and shockwaves. Berni and Tom studied the irreversibility of Boltzmann's "H function" in the early 1950s[2]. Berni called shockwaves the "most irreversible" of hydrodynamic processes[3]. Just this past summer, in simulating shockwaves with time-reversible classical mechanics, we found that reversed Runge-Kutta shockwave simulations yielded nonsteady rarefaction waves, not shocks. Intrigued by this unexpected result we studied the exponential Lyapunov instabilities in both wave types. Besides the Runge-Kutta and Leapfrog algorithms, we developed a precisely-reversible manybody algorithm based on trajectory storing, just changing the velocities' signs to generate the reversed trajectories. Both shocks and rarefactions were precisely reversed. Separate simulations, forward and reversed, provide interesting examples of the Lyapunov-unstable symmetry-breaking models supporting the Second Law of Thermodynamics. We describe promising research directions suggested by this work.