Lennard-Jones triple-point bulk and shear viscosities. Green-Kubo theory, Hamiltonian mechanics, and nonequilibrium molecular dynamics

William G. Hoover; Denis J. Evans; Richard B. Hickman; Anthony J. C. Ladd; William T. Ashurst; Bill Moran

doi:10.1103/PhysRevA.22.1690

Lennard-Jones triple-point bulk and shear viscosities. Green-Kubo theory, Hamiltonian mechanics, and nonequilibrium molecular dynamics

William G. Hoover, Denis J. Evans, Richard B. Hickman, Anthony J. C. Ladd, William T. Ashurst, and Bill Moran

Phys. Rev. A 22, 1690 – Published 1 October 1980

Abstract

A new Hamiltonian method for deformation simulations is related to the Green-Kubo fluctuation theory through perturbation theory and linear-response theory. Numerical results for the bulk and shear viscosity coefficients are compared to corresponding Green-Kubo calculations. Both viscosity coefficients depend similarly on frequency, in a way consistent with enhanced "long-time tails."

Received 24 March 1980

DOI:https://doi.org/10.1103/PhysRevA.22.1690

Authors & Affiliations

William G. Hoover

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

Denis J. Evans

Research School of Physical Sciences, Australian National University, Canberra, ACT 2600, Australia
National Bureau of Standards, Boulder, Colorado 80303

Richard B. Hickman

Lawrence Livermore National Laboratory, Livermore, California 94550

Anthony J. C. Ladd

Department of Applied Science, University of California at Davis/Livermore, Davis, California 95616

William T. Ashurst

Sandia Livermore Laboratory, Livermore, California 94550

Bill Moran

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

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Vol. 22, Iss. 4 — October 1980

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