PE COS

Predictive Engineering and

Computational Sciences

A WENO-Based Code for Investigating RANS Model Closures for

Multicomponent Hydrodynamic Instabilities

1 2
Rhys Ulerich Oleg Schilling

1
Institute for Computational Engineering and Sciences (ICES), The University of Texas at Austin
2
Lawrence Livermore National Laboratory

63rd Annual Meeting of the APS Division of Fluid Dynamics

Long Beach, California
21 November 2010

Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, CA 94551

This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344
and by the DOE National Nuclear Security Administration under Award Number DE-FC52-08NA286.

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 1/9

 Background and Objectives

A WENO-based code was developed to aid Reynolds-averaged

Navier–Stokes (RANS) model assessment for hydrodynamic instabilities

Rayleigh–Taylor instability impacts many applications such as

inertial confinement fusion and supernovae ∇ρ ∇ρ
• DNS of Navier–Stokes equations is accurate but expensive
• RANS inexpensively describes statistical moment evolution
∇p ∇p
• Instabilities challenging for RANS models due to variable
density, inhomogeneity, nonstationarity, and anisotropy

Develop a nonoscillatory, shock-capturing gasdynamics code to

• simulate multi-species hydrodynamic instabilities
• facilitate N -equation RANS model closure evaluation and
development

Investigate Rayleigh–Taylor instability and mixing, including

Baroclinic vorticity production
• comparing RANS models with self-similar solutions initiates the Rayleigh–Taylor
• measuring mixing statistics and DNS, RANS equation budgets instability shown here for
ρh −ρl
At = = 1/3
• assessing advanced model closures ρh +ρl

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 2/9

 Numerics and Code

Code uses high-order numerics for their efficiency and resolving capability

~t + F
Split system according to φ ~ ~x = V(
~ (φ) ~
~ φ) 2.2

0.2

~ computed using
Inviscid fluxes F 2

• Roe approximate Riemann solver [Roe, 1981]

3,2
• global Lax–Friedrichs (LF) flux splitting 1/240 1.8

• 9th -, 5th -, or 3rd -order weighted essentially

0.4

nonoscillatory (WENO) reconstruction [Shu, 2009] 1.6

~ use 8th -, 4th -, or 2nd -order

Viscous and diffusive terms V
5,4 1.4
centered finite differences 0.6
1/240

Total variation diminishing (TVD) 3rd - or 4th -order explicit 1.2

Runge–Kutta time stepping

Choices allow shock-capturing DNS, RANS, and LES 0.8 1

9,8
New, modular, parallel Fortran 95 code designed for 1/480 1/240
0 0.1
0.2
0.15 0.25
flexibility to allow rapid closure prototyping
(9,8) order method resolves sample flow
at 30% of cost of (3,2) order

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 3/9

 Large Atwood Number Single-Mode Rayleigh–Taylor Instability

DNS of single-mode Rayleigh–Taylor instability for γ = 5/3, µ = 10−4

0
0.007
0.0045 0.035
0.012

0.003
0.004 0.006 0.03

0.01
50

0.0035
0.005 0.025
0.0025

0.008
0.003
0.02
100 0.004

0.002
0.0025 0.006
0.015

0.003
0.002
0.004 0.01
150 0.0015

0.002
0.0015

0.005
0.002

0.001 0.001
0.001
200
At .5 At .6 At .7 At .8 At .9
0 25

Non-diffuse (sharp) initialization using velocity perturbation. No filtering necessary. 8192 × 1024 grid.

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 4/9

 Argon–Air Multiple Mode Rayleigh–Taylor Instability

DNS of At = 0.16 Argon–Air multimode Rayleigh–Taylor instability

Multicomponent Navier–Stokes simulation [Hill et al., 2006]:

• Power law viscosity for each species m2 = 1 − m1
m1 cp,1 + m2 cp,2
• Constant Prandtl and Schmidt numbers γ=
m1 cv,1 + m2 cv,2
• Reference properties from 1 atm and 298 K
0 βr
 
0
Initial velocity perturbation: µr = µr T /Tr
• Normally distributed amplitudes
√m1 φ1 + √m2 φ2
• Uniformly distributed phases ∀φ ∈ {µ, κ, D} φ=
M1 M2
m1 m
√ + √ 2
• 44 points per minimum wavelength M1 M2

Interface pressure is 1/1000 atm

94 1

0.8
98
0.6

0.4
102
0.2

106 0
0 10 20 30 40 50

Heavy species mass fraction at t = 0.5 s

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 5/9

 Argon–Air Multiple Mode Rayleigh–Taylor Instability

Evolution of Argon–Air multimode Rayleigh–Taylor instability shows

progressive development of small-scale structures as mixing layer grows

0 0 0 0 0 0

50 50 50 50 50 50

100 100 100 100 100 100

150 150 150 150 150 150

200 200 200 200 200 200

0 25 50 0 25 50 0 25 50 0 25 50 0 25 50 0 25 50

Heavy species mass fraction at t = 0.5, 1, 1.5, 2, 2.5, 3 s

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 6/9

 Multicomponent RANS for Rayleigh–Taylor Instability

Multicomponent RANS formulation

∂t ρ + ∂xj (ρ v
ej ) = 0
∂t (ρ v
ei ) + ∂xj (ρ v ej + p δij ) = ∂xj σ ij − ∂xj τij
ei v
 X2 
∂t (ρ ee) + ∂xj [(ρ ee + p) v ei ) + ∂xj χ ∂xj Te −
ej ] = ∂xj (σ ij v hr Jer,j
e
r=1

p vj00 ρ v 002 vj00

!
γ 0 00 00 00
− ∂xj τij v
ei + + + p vj + σij
 vi

γ−1 2 γ−1
X2 h 
i
+ ∂x j Dr ρr U 
00 ^ 00
r ∂xj ∂mr +  p0r 
∂xjm00
r
r=1
 
e 1 − ∂xj ρ m00 00


∂t (ρ m
e 1 ) + ∂xj (ρ m
e1 vej ) = ∂xj ρ D ∂xj m 1 vj
   
∂t ρ Ef00 + ∂x ρ E f00 v
ej = . . .
j
   
∂t ρ e00 + ∂xj ρ e00 vej = . . .
2 f
• Inviscid treatment of turbulent pressure 3
ρE 00 δij following [Siikonen, 2005]
ρ0 vj0 νt
h
e
eint νt
i
• Closure vj00 = − ρ
≈ ∂ ρ
σρ ρ x j
yields problematic diffusive term −∂xj σρ
∂x j ρ
00 v 00
T^ p0 vj00 00 v 00
T^ h i
Cpu µt
• Using vj00 = j
− p
[Lele, 1994] and assuming j
≈ 0 yields ∂xj (γ−1)σK
f00
∂x j E
Te Te

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 7/9

 Multicomponent RANS for Rayleigh–Taylor Instability

As expected, in comparison to DNS, RANS field shows similar structures

but is significantly more diffuse
Present simulation turbulent quantities initialized in spirit of [Banerjee et al., 2010]

94 1

0.8
98
0.6

0.4
102
0.2

106 0
0 10 20 30 40 50

94 1

0.8
98
0.6

0.4
102
0.2

106 0
0 10 20 30 40 50

DNS (2048x512) versus RANS (480x120) heavy species mass fraction at t = 0.5 s

^
Even with T 00 v 00 /T
e ≈ 0, diffusive explicit time step issues arise at middle times
j
Ulerich, Schilling LLNL-PRES-462652 21 November 2010 8/9
 Ongoing Work and Future Directions

Ongoing Work and Future Directions

Mitigate diffusive time step restrictions:
• Quantify acceptability of numerics-driven vj00 assumption
• If possible, augment numerics to avoid such issues while keeping explicit evolution
• Otherwise, move to semi-implicit time evolution [Shen et al., 2007, Yang, 1998]

Compare simulated layer evolution with analytical, self-similar solutions to transport equations

Investigate RANS closure budgets with DNS field statistics

Add 3- and 4- equation capabilities to describe scalar turbulence physics:

• density variance (ρ02 )
• density variance dissipation rate (0ρ )
Future directions:
• Improve code’s range-of-applicability [Poinsot and Lele, 1992, Hu et al., 2010, Wang et al., 2004]
• Investigate RANS model closures for Richtmyer–Meshkov instability
11

9
Richtmyer–Meshkov instability due to a
7
Ma = 1.5 shock interacting with a
perturbed At = 1/3, γ = 7/2
5
interface
3

t=1 t=2 1
2.5 2.75 3

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 9/9

 References

Banerjee, A., Gore, R. A., and Andrews, M. J. (2010).

Development and validation of a turbulent-mix model for variable-density and compressible flows.
Physical Review E, 82(4):046309+.

Hill, D. J., Pantano, C., and Pullin, D. I. (2006).

Large-eddy simulation and multiscale modelling of a Richtmyer–Meshkov instability with reshock.
Journal of Fluid Mechanics, 557:29–61.

Hu, X. Y., Wang, Q., and Adams, N. A. (2010).

An adaptive central-upwind weighted essentially non-oscillatory scheme.
Journal of Computational Physics.

Lele, S. K. (1994).
Compressibility Effects on Turbulence.
Annual Review of Fluid Mechanics, 26(1):211–254.

Poinsot, T. and Lele, S. (1992).

Boundary conditions for direct simulations of compressible viscous flows.
Journal of Computational Physics, 101(1):104–129.

Roe, P. L. (1981).
Approximate Riemann solvers, parameter vectors, and difference schemes.
Journal of Computational Physics, 43:357–372.

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 1/8

 References

Shen, Y. Q., Wang, B. Y., and Zha, G. C. (2007).

Implicit WENO scheme and high order viscous formulas for compressible flows.
AIAA Paper, 4431:2007.

Shu, C.-W. (2009).

High order weighted essentially nonoscillatory schemes for convection dominated problems.
SIAM Review, 51:82–126.

Siikonen, T. (2005).
An application of Roe’s flux-difference splitting for k-epsilon turbulence model.
International Journal for Numerical Methods in Fluids, 21(11):1017–1039.

Wang, S.-P., Anderson, M. H., Oakley, J. G., Corradini, M. L., and Bonazza, R. (2004).
A thermodynamically consistent and fully conservative treatment of contact discontinuities for compressible
multicomponent flows.
Journal of Computational Physics, 195(2):528–559.

Yang, J. (1998).
Implicit weighted ENO schemes for the three-dimensional incompressible Navier-Stokes equations.
Journal of Computational Physics, 146(1):464–487.

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 2/8

 Backup

The Roe solver reduces system to characteristic waves

~ + ∂x F
Approximate ∂t φ ~ = 0 by linearized, local
~ (φ) Example: 1D Euler flux
problems via
    ~ = [ρ, ρu, ρeT ]T
φ
~ = ∂~ F
~ (φ)
∂x F ~≈A φ
~ ∂x φ ~L , φ
~ R ∂x φ
~
~ = ρu, p + ρu2 , u (p + ρeT ) T
h i
φ F
 
2
where A is the Roe-averaged matrix satisfying p = (γ − 1) ρeT − ρu /2

  h = (ρeT + p) /ρ
~L , φ
φ ~R → φ~ =⇒ A φ ~L , φ
~R → ∂~ F ~
φ
√ √
   ρL uL + ρR uR
~L − F
F ~R = A φ~L , φ
~R φ ~L − φ
~R uRL = √ √
ρL + ρR
hRL = . . .
Using eigendecomposition A = RΛR−1 gives cRL = c(uRL , hRL )
decoupled characteristic space wave equations
 
 (k)  (k) 1 1 1
∂t R−1 φ
~ + λ(k) ∂x R−1 φ
~ =0 R=u+c u−c u 
h + cu h − cu u2 /2

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 3/8

 Backup

LF + WENO propagates characteristic waves

Consider scalar problem ∂t φ + ∂x f (φ) = 0:

• Compute global Lax–Friedrichs flux split f (φ) = f + (φ) + f − (φ)
where f ± (φ) = 1
[f (φ) ± αφ] and α = maxφ |∂φ f |
2
h   i
d 1 + + − −
• Observe φ
dt i
+ ∆x
fi+ 1 − fi− 1 + fi+ 1 − fi− 1 =0
2 2 2 2

• Perform biased WENO reconstruction on inputs f ± to find fˆ± ,

a Lipschitz continuous, consistent numerical flux

5th order WENO interpolation

S3
S2
S1
xi-2 xi-1 xi xi+1 xi+2
xi+1/2

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 4/8

 Backup

Inviscid treatment for each spatial direction

Simple procedure provides a robust, system-agnostic solver:

1 Compute global maximum eigenvalues and Roe eigenvectors
2 Project physical state and flux to characteristic space
3 Perform Lax–Friedrichs flux splitting for each characteristic field
4 Reconstruct the numerical flux in each field using WENO
5 Project characteristic numerical fluxes back to physical space

System information enters only through implementations of

• System Flux
• System Eigenvalues
• System Roe Eigenvectors

Applicable to other hyperbolic systems (e.g. magnetohydrodynamics, combustion)

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 5/8

 Backup

New, modular Fortran 95 code designed for flexibility

Scaling on 8192 x 2048 grid

32 MF
54 MF
• Equation-agnostic driver handles all MPI and IO 10 98 MF
considerations 98

• Equation- and problem-specific modules provide

relevant physics

Wall time per timestep (s)

• New equations and problems easily added by
implementing:
I Equation of state and any unique transport
equations
I Roe-averaged eigenvectors from system’s inviscid
limit
• Batch-friendly restart handling and statistics
1
output
• Reasonable performance and scalability for
effort-to-date

100
Number of MPI ranks

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 6/8

 Backup

Attention to code verification and documentation

• Full serial and parallel regression test suite
• Tests to ensure correct convergence order for manufactured fields
TM
• Eigen-analysis and manufactured fields captured within Mathematica
• Doxygen-based documentation evolves with code

inviscid term convergence (WENO + Roe + LF) viscous term convergence (centered FD)

x3 2
y5 4
x5 8
0.0001 y5 0.0001
x9
y9
l1 absolute error

l1 absolute error
1e-08 1e-08

1e-12 1e-12

1e-16 1e-16

5 10 15 20 5 10 15 20
h = 2-x h = 2-x

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 7/8

 Backup

Asymmetry in bubble, spike amplitudes increases with At

40 100
At 0.5 At 0.5
At 0.6 At 0.6
At 0.7 At 0.7
At 0.8 At 0.8
At 0.9 80 At 0.9
30
bubble amplitude

spike amplitude
60

20

40

10
20

0 0
0 0.5 1 1.5 2 0 0.5 1 1.5 2
time time
ρ1 (ρ−ρ2 )
Mean heavy-fluid mass fraction m1 = ρ(ρ1 −ρ2 )
thresholded at 0.01, 0.99
Spike amplitudes more At -dependent than bubble amplitudes
Non-smooth behavior for At = 0.9 likely due to insufficient resolution

Ulerich, Schilling LLNL-PRES-462652 21 November 2010 8/8