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Advanced Simulation and Computing (ASC) Academic Strategic Alliances Program (ASAP) Center at The University of Chicago The Center for Astrophysical Thermonuclear Flashes FLASH Code Validation LANL Shock-Cylinder Experiment Tomek Plewa Greg Weirs, Todd Dupont, Vikram Dwarkadas

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Page 1: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

Advanced Simulation and Computing (ASC) Academic Strategic Alliances Program (ASAP) Center

at The University of Chicago

The Center for Astrophysical Thermonuclear Flashes

FLASH Code ValidationLANL Shock-Cylinder Experiment

Tomek Plewa

Greg Weirs, Todd Dupont, Vikram Dwarkadas

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 2

The FLASH Center

Target ApplicationsCompact accreting stars (white dwarf, neutron star)Reactive hydrodynamics (DNS or subgrid model)Initial conditions close to hydrostatic equilibrium (self-gravity)Complex EOS (dense nuclear matter)

Example: Type Ia SupernovaMassive white dwarfSubgrid model for nuclear flameSelf-gravityDegenerate EOS

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 3

Past Validation of Computational Modules

Access to experiments: collaborations with LANL (shock-tube) and LLNL (high-energy density laser) experiments.

Initial program: alpha-group collaboration on RTI (Labs & AWE)

Page 4: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 4

Past Validation of Computational Modules

Initial program: alpha-group collaboration on RTI (Labs & AWE)

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 5

Verification of Low Mach Number Flow Solver

Motivationgravity waves, nova pre-TNR, WD pre-ignition

Low speed projection method (Colella and Pao,1999)Based on projection method for incompressible flowsValid for subsonic or weakly compressible flowVelocity field decomposition

Incompressible part: explicit solverAcoustic part: implicit solver

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 6

Current Validation of Computational Modules

Access to experiments: collaborations with LANL (shock-tube) and LLNL (high-energy density laser) experiments

Current program: shock-tube shock-cylinder experiment (LANL)

Presentations at the AMR Chicago workshop and HEDLA (posters), and La Jolla V&V workshop and IWPCTM9 (talks); working towards the refereed journal publication

Page 7: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 7

A column of sulfur hexafluoride (SF6) falls through the air-filled test section; MSF6 ~ 5 Mair

A Mach 1.2 shock traverses the cylinder and continues down the tunnelIndirect SF6 visualization, by visible-light scattering water/glycol “fog”Direct SF6 visualization, by Rayleigh-scattering off SF6 moleculesParticle Image Velocimetry (PIV) with fogOne image per experiment; time sequence can be constructed because of repeatability

Case Study: LANL Shock-Cylinder Experiment

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 8

Flowfield Development

Phase I: shock-interactionMisalignment of pressure and density gradients results in baroclinic vorticity deposition at the interface as the shock traverses the cylinderCompressible, wave dominatedFast, < 50 μs

Phase II: instability growthA counter-rotating vortex pair forms, and secondary instabilities (Kelvin-Helmholtz) develop on the interfaceWeakly compressible, dominated by viscosity, instabilities, vortex dynamicsSlow, ~800 μsHighly sensitive to conditions established in Phase I

Page 9: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 9

Flowfield Development

Experimental time series, water/glycol fog visualization of SF6 mole fraction.Images correspond to 50, 190, 330, 470, 610, and 750 μs after shock impactComposite image does not preserve time-distance relationship

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 10

Past Focus

Aspects considered in depth:Initial conditionsSensitivity to simulation parameters:

Resolution (numerical viscosity)Adaptive Mesh Refinement (AMR)Courant numberMesh refinement criteria

Velocity fieldsDouble cylinder configurationSpeculative 3-D calculation

Other possible aspects:Shock strengthEquation of state

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 11

Initial Conditions: Cylinder Cross-section

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 12

CFL dependency

CFL=0.8

CFL=0.2

CFL=0.4

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 13

FLASH Code is the AMR code

Page 14: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 14

3-D Shock-Cylinder Interaction (speculative)

.

Page 15: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 15

Initial Observations

Close interaction with experimentalists, understanding of experimental parameters

Exercising the code in less violent regime has a potential of exposing higher-order numerical errors

Lack of tools aiding data analysis in validation

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 16

Current Focus

Initial conditionsBetter metricsThree-dimensional effects

Page 17: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 17

Simulations of Initial Conditions

Axisymmetric code (Todd Dupont)Motivation: Determine XSF6

Motivation: Initialize three-dimensional flowfieldSolve (single) species and momentum equations and elliptic equation for pressureConvection, gravity, constant viscosity, constant binary diffusion, variable density, isothermalRun until steady state is achieved

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 18

Simulations of Initial Conditions

Axisymmetric code input parameters:Inlet velocity (parabolic profile)

LANL estimate: 10 cm/sInlet mass fraction of SF6

LANL estimate: 1.0Simulation Parameters

dimensions of domainresolution

Code output:SF6 mole fraction profile

Fit to experimental imageXSF6 in the image plane

LANL estimate: 0.8

Inlet YSF6 = 1.0Inlet vz = 10.0 cm/s

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 19

Gravity-Diffusion Competition

Inlet velocity too lowthe profile is too narrow (closer to the centerline than the experimental data): gravitational acceleration of SF6 leads to necking

Inlet velocity too highthe profile is too steep: diffusion does not have enough time to act

The inlet mass fraction affects the gravitational acceleration and the output XSF6

SF6 molefraction

vz

Inlet vz = 15.0 cm/sInlet YSF6 = 1.0

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 20

Simulations of Initial Conditions

Inlet YSF6 = 1.0Inlet vz = 15.0 cm/s

Inlet YSF6 = 0.8Inlet vz = 15.0 cm/s

Inlet YSF6 = 0.95Inlet vz = 22.50 cm/s

Inlet YSF6 = 0.9315Inlet vz = 21.85 cm/s

Inlet YSF6 = 1.0Inlet vz = 25.0 cm/s

Inlet YSF6 = 0.9685Inlet vz = 23.43 cm/s

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 21

Initial Vertical Velocity: Comparison

simulation Spanwise (mm)

Ver

tical

(mm

)

20 40 60-60

-50

-40

-30

-20

-10

0

-0.1-0.2-0.3-0.4-0.5-0.6-0.7-0.8

Vertical velocity(m/s)

experiment

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 22

Simulations of Initial Conditions

It’s not so easy to determine the initial conditions!Profile “matches” collapse on a line on the plane: one parameter familyShould quantify error in matching experimental fit

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 23

The Need For A Better Metric

While visual comparisons were ok to start with, we need a better basis for comparison to experimental data.

A new metric should be:QuantitativeWell-definedPhysically meaningful

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 24

Possible Metrics

Some possibilitiesSelf-induced vortex velocityCirculation

PropertiesInsensitive to small scale structureInsensitive to numerical (and physical) viscosity

ApplicationA way to probe the initial composition gradients (XSF6), a necessary step before studying evolution on small scales (secondary instabilities, turbulence, diffusion)

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 25

Induced Velocity vs. Initial Composition

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 26

Circulation

Circulation is the integral of vorticity:

∫∫ ⋅=Γ dAω

We consider only the z-component of vorticityWe integrate over the lower-y half of the domain (lower half in the spanwise dimension)

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 27

Circulation Sensitivity

Initial SF6 Mole Fraction

Domain Size

Resolution, Ref. Frame

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 28

3-D Simulations

Are three-dimensional effects important?SF6 and air diffuse as the SF6 flows through the tunnel, leading to vertically varying composition, and thus density, gradientsInstability growth and small scale structure are generally three-dimensional

We have left the validation program proper – no experimental data.

Page 29: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 29

2-D vs. 3-D Flow Morphology

2-D3-D

Page 30: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 30

2-D vs. 3-D Flow Morphology

2-D, t = 750 μs 3-D, t = 750 μs

…simulation demonstrates that nature is…Oops!

Page 31: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 31

Circulation: 2-D vs. 3-D

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 32

3-D Simulation: Circulation

Page 33: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 33

3-D Simulation: SF6 Density Morphology

XSF6 = 0.69t = 750 μs

Mild structures are visible on the back of the cylinder

XSF6 = 0.97t = 750 μs

More structure is visible near the top wall than the bottom

The top of the cylinder has a higher self-induced velocity, resulting in a slight tilt

Page 34: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 34

3-D Simulation: Vertical Velocity Morphology

XSF6 = 0.69t = 750 μs

Note vertical tubes of positive z-velocity, associated with the two primary vortex cores

Spreading as the top wall is approached indicates acceleration

XSF6 = 0.97t = 750 μs

Note vertical tubes of positive z-velocity, associated with the two primary vortex cores

Page 35: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 35

3-D Simulation: Vertical Velocity Flowfield

Page 36: FLASH Code Validation: LANL Shock-Cylinder Experimenttplewa/Presentations/PDF/Plewa_PI2005.… · Experimental time series, water/glycol fog visualization of SF 6 mole fraction. Images

The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 36

3-D Simulation: Flow Visualization

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The ASC/Alliances Center for Astrophysical Thermonuclear FlashesThe University of Chicago 37

Summary and Future Plans

Initial validation for the shock-cylinder interaction was qualitativeand focused on the influence of simulation parameters

Led to a discovery of time-dependent error component in the AMR-aided simulations allowing for possible code improvement

Attracted interest of experimentalists, led to the modifications of the experimental setup

This will offer us data allowing for making quantitative comparison and optimizing future experiments