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

Authors :
Jung, Gerhard
Schmid, Friederike
Source :
Journal of Chemical Physics; 2016, Vol. 144 Issue 20, p1-7, 7p, 7 Graphs
Publication Year :
2016

Abstract

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 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 fluid. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
144
Issue :
20
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
115875751
Full Text :
https://doi.org/10.1063/1.4950760