Strain-rate dependent shear viscosity of the Gaussian core model fluid.
Nonequilibrium molecular dynamics simulations are reported for the shear viscosity of the Gaussian core model (GCM) fluid over a wide range of densities, temperatures and strain rates. A transition from Newtonian and non-Newtonian behavior is observed in all cases for sufficiently high strain rates. On the high-density side of the solid region where re-entrant melting occurs, the shear viscosity decreases significantly when the density is increased at constant temperature and Newtonian behavior persists until very high strain rates. This behavior, which is attributed to particle overlap, is in contrast to the monotonic increase in shear viscosity with density observed for the Lennard-Jones potential. Contrary to the behavior of normal fluids, the viscosity is observed to increase with increasing temperatures at high densities. This reflects a peculiarity of the GCM, namely the approach to the "infinite-density ideal-gas limit." The behavior is also consistent with viscosity measurements of cationic surfactant solutions. In contrast to other potentials, the shear viscosities for the Gaussian core potential at low to moderate strain rates are obtained with modest statistical uncertainties. Zero shear viscosities extrapolated from the nonequilibrium simulations are in good agreement with equilibrium Green-Kubo calculations.
Ahmed
Alauddin
A
Centre for Molecular Simulation, Swinburne University of Technology, P.O. Box 218, Hawthorn, Victoria 3122, Australia.
Mausbach
Peter
P
Sadus
Richard J
RJ