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Computing bulk and shear viscosities from simulations of fluids with dissipative and stochastic interactions

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arxiv 1605.03011 v1 pith:4HLJ5KDT submitted 2016-05-10 cond-mat.soft

Computing bulk and shear viscosities from simulations of fluids with dissipative and stochastic interactions

classification cond-mat.soft
keywords bulkdissipativesimulationsviscositiesdynamicsfluidforcesparticle
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Exact values for bulk and shear viscosity are important to characterize a fluid and they are a necessary input for a continuum description. Here we present two novel methods to compute bulk viscosities by non-equilibrium molecular dynamics (NEMD) simulations of steady-state systems with periodic boundary conditions -- one based on frequent particle displacements and one based on the application of external bulk forces with an inhomogeneous force profile. In equilibrium simulations, viscosities can be determined from the stress tensor fluctuations via Green-Kubo relations; however, the correct incorporation of random and dissipative forces is not obvious. We discuss different expressions proposed in the literature and test them at the example of a dissipative particle dynamics (DPD) fluid.

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