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Rheology and thermodynamics from nonequilibrium molecular dynamics

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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.

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  1. Research School of Chemistry, Australian National University, GPO Box 4, 2601, Canberra, A.C.T., Australia

    Denis J. Evans

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  1. Denis J. Evans
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Evans, D.J. Rheology and thermodynamics from nonequilibrium molecular dynamics. Int J Thermophys 7, 573–584 (1986). https://doi.org/10.1007/BF00502391

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