1. Managing A Computer Simulation of Gravity-Driven Granular Flow The University of Western Ontario Department of Applied Mathematics John Drozd and Dr. Colin Denniston Scientific Computing Seminar, May 29, 2007

2. Event-driven Simulation

3. Collision Time Algorithm Tree data structure for collision times –Ball with smallest collision time value kept at bottom left Sectoring –Time complexity O (log n) vs O (n) –Buffer zones

5. Domain Sectoring Collision Times: O(log n) vs O(n) Racking balls (use MPI or OpenMP ) Staggered in front and back as well We only update interacting balls locally in adjacent sectors, and we only do periodic global updates for output.

6. Ball-Ball Collisions Treat as smooth disk collisions Calculate Newtonian trajectories Calculate contact times Adjust velocities

8. A Smooth Ball Collision

9. Numerical Tricks Avoid catastrophic cancellation, by rationalizing the numerator in solving the quadratic formula for: When comparing floating point numbers, take their difference and compare to float epsilon:

10. Coefficient of Restitution µ is calculated as a velocity-dependent restitution coefficient to reduce inelastic collapse and overlap occurrences as justified by experiments and defined below Here v n is the component of relative velocity along the line joining the disk centers, B = (1  )v 0 ,  = 0.7, v 0 =  g  and  varying between 0 and 1 is a tunable parameter for the simulation.

13. Velocity q Collision rules for dry granular media as modelled by inelastic hard spheres As collisions become weaker (relative velocity v n small), they become more elastic. C. Bizon et. al., PRL 80, 57, 1997. Savage and Jeffrey J. Fluid Mech. 130, 187, 1983.

14. 300 (free fall region) 250 (fluid region) 200 (glass region) 150 Polydispersity means Normal distribution of particle radii y xz vyvy dv y /dt P  Donev et al PRL96 "Do Binary Hard Disks Exhibit an Ideal Glass Transition?"  monodisperse polydisperse y

15.  0 = 0.9  0 = 0.95  0 = 0.99 The density in the glassy region is a constant. In the interface between the fluid and the glass does the density approach the glass density exponentially? Interface width seems to increase as  0  1 y  vyvy How does depend on (1   0 ) ?

16. Density vs Height in Fluid-Glass Transition

17. Length Scale in Transition "interface width diverges" Slope = 0.42 poly Slope = 0.46 mono

18. 300 (free fall region) 250 (fluid region) 200 (glass region) 150 Y Velocity Distribution Plug flow snapshot Mono kink fracture Poiseuille flow y z x Mono-disperse (crystallized) only

19. 300 (free fall region) 250 (fluid region) 200 (glass region) 150 Granular Temperature 235 (At Equilibrium Temperature) fluid equilibrium glass y xz

20.  Experiment by N. Menon and D. J. Durian, Science, 275, 1997.  Simulation results Fluctuating and Flow Velocity vv vfvf In Glassy Region ! Europhysics Letters, 76 (3), 360, 2006 J.J. Drozd and C. Denniston 16 x 16 32 x 32 "questionable" averaging over nonuniform regions gives 2/3

21.  1 in fluid glass transition For  0 = 0.9,0.95,0.96,0.97,0.98,0.99 Subtracting of T g and v c and not averaging over regions of different  v x 2  Slope = 1.0 Down centre

22. Experiment: (W. Losert, L. Bocquet, T.C. Lubensky and J.P. Gollub) Physical Review Letters 85, Number 7, p. 1428 (2000) "Particle Dynamics in Sheared Granular Matter"

23. Velocity Fluctuations vs. Shear Rate Physical Review Letters 85, Number 7, (2000) From simulation Experiment Must Subtract T g ! Slope = 0.406  0.018 Slope = 0.4 U

24. Shear Stress q x y

25. Viscosity vs Temperature …can do slightly better… …"anomalous" viscosity. Is a fluid with "infinite" viscosity a useful description of the interior phase? Slope ~ 2  1 1.92  0.084 Transformation from a liquid to a glass takes place in a continuous manner. Relaxation times of a liquid and its Shear Viscosity increase very rapidly as Temperature is lowered.

26. Experimental data from the book: “Sands, Powders, and Grains: An Introduction to the Physics of Granular Materials” By Jacques Duran.

27. Simulation  Experiment  Quasi-1d Theory  (Coppersmith, et al) (Longhi, Easwar) Impulse defined: Magnitude of momentum after collision minus momentum before collision. Related to Forces: Impulse Distribution Most frequent collisions contributing to smallest impulses

28. Power Laws for Collision Times Similar power laws for 2d and 3d simulations! Collision time = time between collisions 1) spheres in 2d 2) 2d disks 3) 3d spheres

29. Comparison With Experiment  Figure from experimental paper: “Large Force Fluctuations in a Flowing Granular Medium” Phys. Rev. Lett. 89, 045501 (2002) E. Longhi, N. Easwar, N. Menon  : experiment 1.5 vs. simulation 2.8 Discrepancy as a result of Experimental response time and sensitivity of detector.  Experiment “Spheres in 2d”: 3d Simulation with front and back reflecting walls separated one diameter apart  Pressure Transducer

30.  = 2.75  = 1.50 Probability Distribution for Impulses vs. Collision Times (log scale)

31.  random packing at early stage  = 2.75 crystallization  at later stage  = 4.3 Is there any difference between this glass and a crystal? Answer: Look at Monodisperse grains Disorder has a universal effect on Collision Time power law.

32. Radius Polydispersity 2d disksSpheres in 2d 3d spheres 0 % (monodisperse) 4 4.3 4 15 % (polydisperse) 2.75 2.85 2.87 Summary of Power Laws

33. Conclusions A gravity-driven hard sphere simulation was used to study the glass transition from a granular hard sphere fluid to a jammed glass. We get the same 2/3 power law for velocity fluctuations vs. flow velocity as found in experiment, when each data point is averaged over a nonuniform region. When we look at data points averaged from a uniform region we find a power law of 1 as expected. We found a diverging length scale at this jamming (glass) to unjamming (granular fluid) transition. We compared our simulation to experiment on the connection between local velocity fluctuations and shear rate and found quantitative agreement. We resolved a discrepancy with experiment on the collision time power law which we found depends on the level of disorder (glass) or order (crystal).

34. Normal Stresses Along Height Weight not supported by a pressure gradient. Momentum Conservation  k  ik +  g i = 0

35. Momentum Conservation