Possible SRD parameters for modeling a Lennard-Jones fluid with and at for: (green dashed), (blue solid), (red dotted), and (black dotted-dashed).
Values of Schmidt Number for various SRD parameters in modeling a Lennard-Jones fluid with and at for: (green dashed), (blue solid), (red dotted), and (black dotted-dashed).
Possible SRD parameters for , and , (blue solid), , (red dotted), and , (black dotted-dotted).
Velocity profile for MP reverse perturbation method.
Linear response relation between the shear rate and momentum flux for a Lennard-Jones fluid (open symbols) and SRD fluid with parameter set 1 (closed symbols).
Effect of the momentum exchange rate and particle velocity on the momentum transfer and resulting viscosity—multiple exchanges per time step of low velocity particles (square, dashed line), varied exchange frequencies of high velocity particles (triangle, dotted line), single exchange per time step of increasing velocity particles (circle), and varied exchange frequencies of high velocity particles using the smaller SRD time step (diamonds, solid line).
Effect of a finite sized simulation box on the shear viscosity for various parameters: set 1 (diamonds), set 2 (triangle), set 3 (circle), set 4 (square), and set 5 (inverted triangle). The viscosity values of the various sets are bounded by the dotted lines.
Portion of a 2d simulation box, owned by processor 0, 1, 2, and 3. The heavy lines represent processor boundaries; the light lines are the grid of SRD bins. The shaded bin overlaps the subdomains owned by all four processors.
Parallel efficiency of an SRD simulation of particles running on different numbers of processors (cores) of a Cray XT3. The three curves are for running 1, 2, and 4 cores/node. The one-core timing was 207 s for 1050 time steps.
Parallel efficiency of an explicit LJ simulation of particles running on a Cray XT3, analogous to the SRD model of Fig. 9. The one-processor timing was 9567 seconds for 1050 time steps.
SRD solvent parameters used in Sec. III such that , , and .
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