Model for nonequilibrium computer simulation methods

James W. Dufty, Andrés Santos, J. Javier Brey, and Rosalío F. Rodríguez
Phys. Rev. A 33, 459 – Published 1 January 1986
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Abstract

Several methods for nonequilibrium computer simulation of plane Couette flow are analyzed by kinetic theory. The boundary-value problem for the nonlinear Boltzmann equation is related to the stochastic, Lees-Edwards, and ‘‘non-Newtonian’’ dynamics methods. It is found that the kinetic-theory and computer simulation methods can be put into close correspondence, except for one form of the non-Newtonian equations of motion. The effects of homogeneous, nonconservative forces used to maintain constant temperature are also studied. For a special interatomic force law exact scaling relations are obtained to relate isothermal and nonisothermal solutions to the Boltzmann equation. For other force laws this scaling relationship is only approximate.

  • Received 11 July 1985

DOI:https://doi.org/10.1103/PhysRevA.33.459

©1986 American Physical Society

Authors & Affiliations

James W. Dufty and Andrés Santos

  • Department of Physics, University of Florida, Gainesville, Florida 32611

J. Javier Brey

  • Departamento de Física Teórica, Facultad de Física, Universidad de Sevilla, Apartado Correos 1065, Sector Sur, Sevilla, Spain

Rosalío F. Rodríguez

  • Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, México, Distrito Federal, México

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Vol. 33, Iss. 1 — January 1986

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