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Stochastic rotation dynamics
Christopher Pooley Norio Kikuchi Jennifer Ryder Matthew Webster Julia Yeomans Rudolf Peierls Centre for Theoretical Physics University of Oxford
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The stochastic rotation algorithm
Streaming step Collision step
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Deriving the transport coefficients
Write down evolution equations for the conserved quantities Calculate the fluxes in terms of the moments of the distribution function Work out steady state values for the moments Read off the transport coefficients Add the collisional contribution to the viscosity
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1. Evolution equations for the conserved quantities
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2. Fluxes in terms of the moments of the distribution function
y x
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The momentum flux tensor
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3. Steady state values for the moments (i) streaming
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3. Steady state values for the moments (ii) collisions
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Average over the number of particles per cell
where
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3. Steady state values for the moments
collision streaming steady state moment
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1.Write down evolution equations for the conserved quantities
2. Calculate the fluxes in terms of the moments of the distribution function 3. Work out steady state values for the moments 4. Read off the transport coefficients
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4.The transport coefficients
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Kinetic viscosity in two dimensions
rotation angle
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Kinetic viscosity in three dimensions
rotation angle
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5.The collisional contribution to the viscosity
position of measurement plane
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Coupling to polymers
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Polymer collapse: the role of backflow
radius of gyration time
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A scaling argument Brownian Hydrodynamic
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A scaling argument Brownian Hydrodynamic
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Shear Thinning
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Tethered Polymers in Flow
100 Beads Coil Configuration 100 Beads Trumpet Configuration 100 Beads Flower Configuration Across flow Profile 100 Beads Flower Configuration Normal to flow profile
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Distance along flow axis
Radius of polymer plotted against distance along flow axis for different flow velocities Radial span Distance along flow axis
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Stochastic rotation dynamics
Exact expressions can be obtained for the transport coefficients. Easy to couple to a polymer evolving through molecular dynamics. Can turn off the hydrodynamics. Mapping onto real systems?
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Length of polymer as a function of peak flow velocity
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Change in peak flow velocity when polymer is present plotted against forcing pressure
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Thermal conductivity 3d
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Collisional viscosity 3d
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