Model for nonequilibrium computer simulation methods

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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.