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Rheology and thermodynamics from nonequilibrium molecular dynamics
Authors:Denis J. Evans
Affiliation:(1) Research School of Chemistry, Australian National University, GPO Box 4, 2601 Canberra, A.C.T., Australia
Abstract:
We review some of the recent developments in nonequilibrium molecular dynamics (NEMD) simulations of fluids. One of the areas which has been profoundly influenced by this new technique is the study of systems undergoing steady planar Couette flow. Attention has been focused on developments which have taken place since the 1982 Conference on Nonlinear Fluid Behaviour. Since that time many questions concerning the formal justification of NEMD algorithms have been successfully answered. There have also been extensions of the range of properties studied by the technique.Invited paper presented at the Ninth Symposium on Thermophysical Properties, June 24–27, 1985, Boulder, Colorado, U.S.A.
Keywords:algorithms  Couette flow  nonequilibrium molecular dynamics  nonlinear fluid behavior  rheology  simulation
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