sparse grid collocation schemes for stochastic convection materials process design and control...
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Sparse grid collocation schemes for Sparse grid collocation schemes for stochastic convectionstochastic convection
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
Nicholas Zabaras and Baskar Ganapathysubramanian
Materials Process Design and Control LaboratorySibley School of Mechanical and Aerospace Engineering
188 Frank H. T. Rhodes HallCornell University
Ithaca, NY 14853-3801
Email: [email protected]: http://mpdc.mae.cornell.edu/
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CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
All physical systems have an inherent associated randomness
SOURCES OF UNCERTAINTIES
•Multiscale material information – inherently statistical in nature.
•Uncertainties in process conditions
•Input data
•Model formulation – approximations, assumptions.
Why uncertainty modeling ?
Assess product and process reliability.
Estimate confidence level in model predictions.
Identify relative sources of randomness.
Provide robust design solutions.
Engineering component
Heterogeneous random
Microstructural features
MOTIVATION
Process
Control?
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Problem of interest
Investigate the effects of input uncertainties in natural convection problems.
- Results in more realistic modeling
- Leads to topology design for enhanced heat and mass transfer problems
Consider a 2D natural convection system.
Interested in the effects of three kinds of input uncertainties
a) Uncertainties in boundary conditions
b) Uncertainties in boundary topology
c) Uncertainties in material properties
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S
Sample space of elementary events
Real line
Random
variable
MAP
Collection of all possible outcomes
Each outcome is mapped to a
corresponding real value
Interpreting random variables as functions
A general stochastic process is a random field with variations along space and time – A
function with domain (Ω, Τ, S)
REPRESENTING RANDOMNESS:1
1. Interpreting random variables
2. Distribution of the random variable
Ex. Inlet velocity, Inlet temperature
1 0.1o
3. Correlated data
Ex. Presence of impurities, porosity
Usually represented with a correlation function
We specifically concentrate on this.
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REPRESENTING RANDOMNESS:2
1. Representation of random process
- Karhunen-Loeve, Polynomial Chaos expansions
2. Infinite dimensions to finite dimensions
- depends on the covarience
Karhunen-Loèvè expansion
Based on the spectral decomposition of the covariance kernel of the stochastic process
Random process Mean
Set of random variables to
be found
Eigenpairs of covariance
kernel
• Need to know covariance
• Converges uniformly to any second order process
0 10 20 30 40 50 600
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
Index
Eig
enva
lue
5 10 15 200
5
10
15
Set the number of stochastic dimensions, N
Dependence of variables
Pose the (N+d) dimensional problem
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KARHUNEN-LOEVE EXPANSION
1
( , , ) ( , ) ( , ) ( )i ii
X x t X x t X x t
Stochastic process
Mean function
ON random variablesDeterministic functions
Deterministic functions ~ eigen-values , eigenvectors of the covariance function
Orthonormal random variables ~ type of stochastic process
In practice, we truncate (KL) to first N terms
1( , , ) fn( , , , , )NX x t x t
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Problem definition
Represent input uncertainties in terms of N random variables. This is possible usually due to the ‘finite dimensional noise assumption’1
1) I. Babuska, R. Tempone, G. E. Zouraris, Galerkin finite elements approximation of stochastic finite elements, SIAM J. Numer. Anal. 42 (2004) 800–825
g(y) =
The dependant variables (T,u,p) depend on these N random variables. Reformulate the problem in terms of these N variables
where g is the appropriate input stochastic process
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UNCERTAINTY ANALYSIS TECHNIQUES
Monte-Carlo : Simple to implement, computationally expensive
Perturbation, Neumann expansions : Limited to small fluctuations, tedious for higher order statistics
Sensitivity analysis, method of moments : Probabilistic information is indirect, small fluctuations
Spectral stochastic uncertainty representation: Basis in probability and functional analysis, Can address second order stochastic processes, Can handle large fluctuations, derivations are general
Stochastic collocation: Results in decoupled equations
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SPECTRAL STOCHASTIC REPRESENTATION
: ( , , )X x t
A stochastic process = spatially, temporally varying random function
CHOOSE APPROPRIATE BASIS FOR THE
PROBABILITY SPACE
HYPERGEOMETRIC ASKEY POLYNOMIALS
PIECEWISE POLYNOMIALS (FE TYPE)
SPECTRAL DECOMPOSITION
COLLOCATION, MC (DELTA FUNCTIONS)
GENERALIZED POLYNOMIAL CHAOS EXPANSION
SUPPORT-SPACE REPRESENTATION
KARHUNEN-LOÈVE EXPANSION
SMOLYAK QUADRATURE, CUBATURE, LH
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GENERALIZED POLYNOMIAL CHAOS Generalized polynomial chaos expansion is used to represent the stochastic output in terms of the input
0
( , , ) ( , ) (ξ( ))i ii
Z x t Z x t
Stochastic output
Askey polynomials in inputDeterministic functions
Stochastic input
1( , , ) fn( , , , , )NX x t x t
Askey polynomials ~ type of input stochastic process
Usually, Hermite, Legendre, Jacobi etc.
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CURSE OF DIMENSIONALITY Both GPCE and support-space method are fraught with the curse of dimensionality
As the number of random input orthonormal variables increase, computation time increases exponentially
Support-space grid is usually in a higher-dimensional manifold (if the number of inputs is > 3), we need special tensor product techniques for generation of the support-space
Parallel implementations are currently performed using PETSc (Parallel scientific extensible toolkit )
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COLLOCATION TECHNIQUES
Spectral Galerkin method: Spatial domain is approximated using a finite element discretization
Stochastic domain is approximated using a spectral element discretization
Coupled equationsDecoupled equations
Collocation method: Spatial domain is approximated using a finite element discretization
Stochastic domain is approximated using multidimensional interpolating functions
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WHY ARE THE EQUATIONS DECOUPLED?
Simple interpolation
Consider the function
We evaluate it at a set of points
The approximate interpolated polynomial representation for the function is
Where
Here, Lk are the Lagrange polynomials
Once the interpolation function has been constructed, the function value at any point yi is just
Considering the given natural convection system
One can construct the stochastic solution by solving at the M deterministic points
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CONSTRUCTING OPTIMAL INTERPOLATING FUNCTIONS
Two issues with constructing accurate interpolating functions:
1) Choice of optimal points to sample at
2) Constructing multidimensional polynomial functions
Analysis of optimal points for one dimensional functions
Consider the one D function
Need to approximate this function through a polynomial interpolant
Sample the function at a finite set of points
Construct the interpolant such that
The interpolant can be written as
As the number of sampling points increases the approximating quality of the polynomial improves
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CONSTRUCTING OPTIMAL INTERPOLATING FUNCTIONS
As the number of sampling points increases the approximating quality of the polynomial improves. This is irrespective of how one chooses the sampling points.
But uniform convergence is not guaranteed
To choose optimal distribution of points to ensure uniform convergence, must need a notion of the approximating quality of the polynomial.
The Best approximating polynomial is defined such that
Every interpolation function can be related to the best approximation polynomial through its Lebesgue constant
where the Lebesgue constant is
Note that the Lebesgue constant depends only on the node distribution and not on the function.
One can find distribution of points that minimize the Lebesgue constants
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FROM ONE DIMENSION TO HIGHER DIMENSIONS
Gauss points and Chebyshev points have small Lebesgue constants and can be used as nodes to construct the interpolation function1.
Can come up with error bounds for these distribution of points. The interpolation error while using n Chebyshev sampling points is given by
1. A. Klimke, Uncertainty Modeling using Fuzzy Arithmetic and Sparse Grids, PhD Thesis, Universitt Stuttgart, Shaker Verlag, Aachen, 2006.
From this optimal one dimensional interpolation function, straightforward extension to multiple dimensions using the concept of tensor products.
This quickly becomes impossible to use. For instance, if N=10 dimensions ans we were to use n=2 points in each dimension, we would require 210 points to interpolate this function.
Look at better ways to sample these points
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SMOLYAK ALGORITHM
LET OUR BASIC 1D INTERPOLATION SCHEME BE SUMMARIZED AS
IN MULTIPLE DIMENSIONS, THIS CAN BE WRITTEN AS
( ) ( )i
i i
i i
xx X
U f a f x
1 11
1 1
( )( ) ( ) ( , , )d di id
i i i id d
i ii i
x xx X x X
U U f a a f x x
TO REDUCE THE NUMBER OF SUPPORT NODES WHILE MAINTAINING ACCURACY WITHIN A LOGARITHMIC FACTOR, WE USE SMOLYAK METHOD
1
0 11
, 1,
0, ,
( ) ( ) ( )( )d
i i id
iiq d q d
i q
U U U i i i
A f A f f
IDEA IS TO CONSTRUCT AN EXPANDING SUBSPACE OF COLLOCATION POINTS THAT CAN REPRESENT PROGRESSIVELY HIGHER ORDER POLYNOMIALS IN MULTIPLE DIMENSIONS
A FEW FAMOUS SPARSE QUADRATURE SCHEMES ARE AS FOLLOWS: CLENSHAW CURTIS SCHEME, MAXIMUM-NORM BASED SPARSE GRID AND CHEBYSHEV-GAUSS SCHEME
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SMOLYAK ALGORITHM
Extensively used in statistical mechanics
Provides a way to construct interpolation functions based on minimal number of points
Univariate interpolations to multivariate interpolations
( ) ( )i
i i
i i
xx X
U f a f x
1
0 11
, 1,
0, ,
( ) ( ) ( )( )d
i i id
iiq d q d
i q
U U U i i i
A f A f f
Uni-variate interpolation
Multi-variate interpolation
Smolyak interpolation
ORDER SC FE
3 1581 1000
4 8801 10000
5 41625 100000
D = 10
Accuracy the same as tensor product
Within logarithmic constant
Increasing the order of interpolation increases the number of points sampled
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SMOLYAK ALGORITHM: REDUCTION IN POINTS
ORDER SC FE
3 1581 1000
4 8801 10000
5 41625 100000
D = 10
For 2D interpolation using Chebyshev nodes
Left: Full tensor product interpolation uses 256 points
Right: Sparse grid collocation used 45 points to generate interpolant with comparable accuracy
Results in multiple orders of magnitude reduction in the number of points to sample
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SMOLYAK ALGORITHM: Numerical illustration
Interpolating smooth anisotropic functions.
Investigate interpolation accuracy as ρ increases. As ρ increases the function becomes steeper in one direction
Error defined as deviation of interpolant from actual function
For ρ =1000, the function is very anisotropic. The sparse collocation method uses 3329 points to construct an approximate solution with an error of 3x10-5.
The full tensor product method uses 263169 points to get the same level of accuracy
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SMOLYAK ALGORITHM: Numerical illustration
Interpolating discontinuous functions.
Increasing number of sampling points
Function has a discontinuity in the y direction.
32769 points required to construct interpolant with error 3x10-3.
Issues:
Notice that the smolyak method uniformly samples both dimensions.
Can the number of sampling points be further reduced by choosing points adaptively in different directions based on the behavior of the function?
Can this be done on-the-fly?
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ADAPTIVE SPARSE GRID COLLOCATION
The conventional sparse grid method treats every dimension equally.
Functions may have widely varying characteristics in different directions (discontinuities, steep gradients) or the function may have some special structure (additive, nearly-additive, multiplicative).
The basis proposition of the adaptive sparse grid collocation is to detect these structures/behaviors and treat different dimensions differently to accelerate convergence.
Must use some heuristics to select the sampling points.
Such heuristics have been developed by Gerstner and Griebel
Have to come up with a way to make the Smolyak algorithm treat different dimensions differently.
Generalized Sparse Grids:
Convention sparse grids imposes a strict admissibility condition on the indices. By relaxing this to allow other indices, adaptivity can be enforced.
Admissibility criterion for a set of indices S.
where ej is the unit vector in the j-th direction
1. T. Gerstner, M. Griebel, Numerical integration using sparse grids, Numerical Algorithms, 18 (1998) 209–232.
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ADAPTIVE SPARSE GRID COLLOCATION
Finding the most sensitive dimensions:
The generalized sparse grid indices allow one to sample different dimensions differently. To accurately build interpolants using a minimal number of points, most of the points should be concentrated in the directions that have the steepest gradient or have discontinuities
Define directional errors to quantify the notion of sensitivity of each direction. Direction error are the interpolation errors achieved by adding sampling points in that specific direction
Interpolation procedure:
Start from the smallest index.
Add indices in each coordinate direction. Evaluate the function at these new indices. Compute the error between evaluated value and estimated value for each direction.
The direction with the maximal error need more indices. The function is evaluated in this direction
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ADAPTIVE SPARSE GRID COLLOCATION: Numerical illustration
Interpolating smooth anisotropic functions.
Investigate interpolation accuracy as ρ increases. As ρ increases the function becomes steeper in one direction
For ρ = 1000, the adaptive sparse grid collocation uses 577 points to generate an interpolation function with error 5x10-
2. The conventional sparse grid collocation uses 1577 points to get the same accuracy.
More points sampled in the y direction
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ADAPTIVE SPARSE GRID COLLOCATION: Numerical illustration
Interpolating discontinuous functions.
Function has a discontinuity in the y direction.
The adaptive method uses 559 points to build the interpolation function, while the conventional method uses 3300 points
0 0.2 0.4 0.6 0.8 10
0.1
0.2
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0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 10
0.1
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Conventional sparse grid
Adaptive sparse grid
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SPARSE GRID COLLOCATION METHOD: implementation
PREPROCESSING
Compute list of collocation points based on number of stochastic dimensions, N and level of interpolation, q
Compute the weighted integrals of all the interpolations functions across the stochastic space (w i)
Solve the deterministic problem defined by each set of collocated points
POSTPROCESSING
Compute moments and other statistics with simple operations of the deterministic data at the collocated points and the preprocessed list of weights
Solution Methodology
Use any validated deterministic solution procedure.
Completely non intrusive
0.3010.2600.2200.1800.1400.1000.0600.020
0.3010.2600.2200.1800.1400.1000.0600.020
Std deviation of temperature: Natural convection
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REFERENCESSPARSE GRID COLLOCATION
1) E. Novak, K. Ritter, R. Schmitt, A. Steinbauer, On an interpolatory method for high-dimensional integration, J. Comp. Appl. Mathematics, 112 (1999) 215–228.
2) V. Barthelmann, E. Novak, K. Ritter, High-dimensional polynomial interpolation on sparse grids, Adv. Compu. Math. 12 (2000) 273–288.
3) A. Klimke, Uncertainty Modeling using Fuzzy Arithmetic and Sparse Grids, PhD Thesis, Universitt Stuttgart, Shaker Verlag, Aachen, 2006.
4) T. Gerstner, M. Griebel, Numerical integration using sparse grids, Numerical Algorithms, 18 (1998) 209–232.
STOCHASTIC COLLOCATION
1) B. Ganapathysubramanian, N. Zabaras, Sparse grid collocation schemes for stochastic natural convection problems, J. Comp. Physics, submitted for publication.
2) B. Ganapathysubramanian, N. Zabaras, Modeling diffusion in random heterogeneous media: Data-driven models, stochastic collocation and the VMS method, JCP, submitted.
3) I. Babuska, F. Nobile, R. Tempone, A stochastic collocation method for elliptic PDEs with random input data, ICES Report 05-47, 2005.
4) D. Xiu, J. S. Hesthaven, High order collocation methods for the differential equation with random inputs, SIAM J. Sci. Comput. 27 (2005) 1118–1139
5) F. Nobile, R. Tempone, C. G. Webster, A sparse grid stochastic collocation method for elliptic PDEs with random input data, preprint.
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NUMERICAL EXAMPLES
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Natural convection with random boundary conditions: A comparisonT
(y)
= 0
.5
T (
y) =
f (
y,ω
)
Fluid (Pr=1.0) in a square domain
Computational domain [-0.5,0.5]^2
Left wall maintained at T = 0.5
Right wall maintained at a meant temperature, T = -0.5
Temperature varies spatially along the right wall. These temperatures are correlated.
Physically represents the behavior of, say, a resistance heater.
Boundary temperature correlation C(y1,y2) = exp(-c|y1-y2|)
Solve problem using MonteCarlo methods, GPCE and Sparse collocation
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Comparison
Mean temperature distribution
Standard deviation of temperature
Sparse grid collocation GPCE MC
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Comparison
Computational effort
MonteCarlo: 65000 samples
GPCE: second order expansion
Smolyak: level 6 interpolation
Domain: [-0.5, 0.5]x[-0.5, 0.5]
Grid: 50x50 quad elements
Time steps: 600 dt = 1e-3
MonteCarlo just a means to validate, computationally not feasible
Compare GPCE and Sparse grid collocation methods
All problems solved on 16 nodes of V3 cluster at Cornell Theory Center
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ComparisonSparse grid collocation is computationally very efficient for moderate dimensions.
Post processing to obtain higher order statistics is very simple.
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Natural convection with random domains
Effect of roughness on natural convection
T (y) = 0.5
T (y) = -0.5
y = f(x,ω)
Thermal evolution of fluid on a rough surface heated from below.
Surface characterization:
Waviness and roughness
Waviness: Large scale variations
Roughness: Small scale perturbations to the surface
Representing roughness:
Roughness represented by two components: PDF of a point above a datum z and the correlation between two points (ACF)
ACF depends on the processing methodology, ex shot peening, sand blasting and milling
PDF is usually assumed to be a Gaussian
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Natural convection with random domains
Effect of roughness on natural convection
T (y) = 0.5
T (y) = -0.5
y = f(x,ω)
Thermal evolution of fluid on a rough surface heated from below.
C(y1,y2) = exp(-c|y1-y2|)
ACF taken to be a simple exponential correlation
Mean roughness measure is 1/100 of the characteristic length of the domain
The correlation length is set at 0.1
First 8 eigen values represent 96% of the spectrum
Computational domain: [-1, 1]x[-0.5, 0.5]
Grid 200x100
Pr = 6.4 (corresponding to water)
Ra = 5000
Top wall set at T = -0.5
Bottom wall set at T = 0.5
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Natural convection with random domains
Level 4 sparse grid collocation scheme is used
Number of points = 3937
Computational effort: 8 nodes of V3 on CTC ~ 500 minutes
Temperature and velocity realizations
0.4380.3130.1880.063
-0.063-0.188-0.313-0.438
0.4380.3130.1880.063
-0.063-0.188-0.313-0.438
0.4380.3130.1880.063
-0.063-0.188-0.313-0.438
0.4380.3130.1880.063
-0.063-0.188-0.313-0.438
8.3696.4494.5292.6100.690
-1.230-3.150-5.070
17.53713.326
9.1144.9020.691
-3.521-7.733
-11.944
12.0137.7733.533
-0.707-4.947-9.186
-13.426-17.666
15.70711.772
7.8373.901
-0.034-3.969-7.904
-11.839
0.4380.3130.1880.063
-0.063-0.188-0.313-0.438
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Natural convection with random domains: Mean statistics
0.4370.3120.1870.062
-0.062-0.187-0.312-0.437
6.5304.6702.8100.950
-0.911-2.771-4.631-6.492
4.1922.5280.864
-0.800-2.465-4.129-5.793-7.457
0.3550.2530.1520.050
-0.051-0.153-0.254-0.356
Much more diffuse behavior
Temperature Pressure
v velocity u velocity
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15.87513.75811.642
9.5257.4085.2923.1751.058
0.3010.2600.2200.1800.1400.1000.0600.020
18.59916.11913.63911.159
8.6796.2003.7201.240
0.8010.6940.5870.4800.3740.2670.1600.053
Natural convection with random domains: Higher order statistics
Temperature Pressure
v velocity u velocity
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Natural convection with random domains: Mode shifts and PDF’s
0.3010.2600.2200.1800.1400.1000.0600.020
Location (0,0.25) shows large deviation in temperature. Plot of distribution of temperature and v velocity show a bi-modal nature. Possibility of two distinct modes. Can find most sensitive dimension. Dimension which shows an abrupt change in the variables
Temperature
v velocity
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Natural convection with random domains: Large dimensions. experimental data
Flow over rough surfaces
Thermal transport across rough surfaces, heat exchangers
Look at natural convection through a realistic roughness profile
Rectangular cavity filled with fluid.
Lower surface is rough. Roughness auto correlation function from experimental data2
Lower surface maintained at a higher temperature
Rayleigh-Benard instability causes convection
Numerical solution procedure for the deterministic procedure is a fractional time stepping method
2. H. Li, K. E. Torrance, An experimental study of the correlation between surface roughness and light scattering for rough metallic surfaces, Advanced Characterization Techniques for Optics, Semiconductors, and Nanotechnologies II,
T (y) = 0.5
T (y) = -0.5
y = f(x,ω)
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NATURAL CONVECTION ON ROUGH SURFACES
V1
V2
0 0.5 1 1.5 2
0
0.2
0.4
0.6
0.8
1
IndexE
igen
valu
e5 10 15 20
0
4
8
12
16
Experimental ACF
0.440.310.190.06
-0.06-0.19-0.31-0.44
0.440.310.190.06
-0.06-0.19-0.31-0.44
0.440.310.190.06
-0.06-0.19-0.31-0.44
Sample realizations of temperature at collocation points
Experimental correlation for the surface roughness
Eigen spectrum is peaked. Requires large dimensions to accurately represent the stochastic space
Simulated with N= 20 (Represents 94% of the spectrum)
Number of collocation points is 11561 (level 4 interpolation)
Numerically computed Eigen spectrum
0.440.310.190.06
-0.06-0.19-0.31-0.44
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
NATURAL CONVECTION ON ROUGH SURFACES
0.440.310.190.06
-0.06-0.19-0.31-0.44
FIRST MOMENT
Temperature
Streamlines
0.170.140.120.100.080.060.030.01
7.636.625.604.583.562.541.530.51
Temperature
Y Velocity
SECOND MOMENT
Roughness causes improved thermal transport due to enhanced nonlinearities
Results in thermal plumes
Can look to tailor material surfaces to achieve specific thermal transport
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CCOORRNNEELLLL U N I V E R S I T Y
Natural convection in heterogeneous media: large dimensions
Alloy solidification, thermal insulation, petroleum prospecting
Look at natural convection through a realistic sample of heterogeneous material
Square cavity with free fluid in the middle part of the domain. The porosity of the material is taken from experimental data1
Left wall kept heated, right wall cooled
Numerical solution procedure for the deterministic procedure is a fractional time stepping method
1. Reconstruction of random media using Monte Carlo methods, Manwat and Hilfer, Physical Review E. 59 (1999)
T = 0
u=v=0
T = 1
u=v=0
Porous medium
Free fluid
u=v=0
u=v=0
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CCOORRNNEELLLL U N I V E R S I T Y
0 10 20 30 40 50 600
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
Index
Eig
enva
lue
5 10 15 200
5
10
15
FLOW THROUGH HETEROGENEOUS RANDOM MEDIA
Experimental correlation for the porosity of the sandstone.
Eigen spectrum is peaked. Requires large dimensions to accurately represent the stochastic space
Simulated with N= 8
Number of collocation points is 3937 (level 4 interpolation)
Material: Sandstone
Numerically computed
Eigen spectrum
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0.90.80.70.60.40.30.20.1
0.90.80.70.60.40.30.20.1
0.90.80.70.60.40.30.20.1
9.16.43.71.0
-1.7-4.4-7.1-9.8
14.210.16.12.0
-2.0-6.1
-10.1-14.1
12.18.65.11.7
-1.8-5.3-8.7
-12.2
Snapshots at a few collocation points
Temperature y-Velocity0.940.810.690.560.440.310.190.06
7.04.41.8
-0.8-3.4-6.0-8.6
-11.2
FIRST MOMENT
0.0970.0840.0710.0580.0450.0320.0190.006
5.0564.3823.7083.0342.3591.6851.0110.337
SECOND MOMENT
FLOW THROUGH HETEROGENEOUS RANDOM MEDIA
Temperature
Temperature Y velocity
Y velocity
Streamlines
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RANDOM TOPOLOGY AND STOCHASTIC COLLOCATION
Investigate diffusion through random heterogeneous media
- Given experimental image, extract features
- Reconstruct 3D microstructures from 2D image
- Construct reduced model for the random topology
- Get statistics of temperature driven by this random topology
1) S. Umekawa, R. Kotfila, O. D. Sherby, Elastic properties of a tungsten-silver composite above and below the melting point of silver, J. Mech. Phys. Solids 13 (1965) 229-2302) B. Ganapathysubramanian, N. Zabaras, Modelling diffusion in random heterogeneous media: Data-driven models,stochastic collocation and the variational multiscale method, J. Comp. Physics, submitted
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CCOORRNNEELLLL U N I V E R S I T Y
RANDOM TOPOLOGY: Reconstruction
Given 2D slice, reconstruction techniques to construct 3D microstructures:
Gaussian Random Fields, Stochastic optimization, Simulate dannealing ect
Match experimental statistics with reconstructed statistics
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CCOORRNNEELLLL U N I V E R S I T Y
RANDOM TOPOLOGY: Model reduction
PCA on the image set. First 10 eigen values represent the structure well
=a1a2
an+ + ..+
I = Iavg + I1a1 + I2a2+ I3a3 + … + Inan
Image I belongs to the class of structures?
It must satisfy certain conditions
a) Its volume fraction must equal the specified volume fraction
b) Volume fraction at every pixel must be between 0 and 1
c) It should satisfy higher order statistics
Thus the n tuple (a1,a2,..,an) must further satisfy some constraints.
Represent any microstructure as a linear combination of the eigenimages
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RANDOM TOPOLOGY: Model reduction
Impose constraints on the set of n-tuples
1) Impose first order constraints : Volume fraction must be matched
2) Impose pixel constraints: Results in a convex hull
3) Sequentially impose higher order constraints on the convex hull to get allowable space of n-tuples
Reduced model
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RANDOM TOPOLOGY: STOCHASTIC COLLOCATION
N = 9 dimensions
Level 5 interpolation: 15713 deterministic problems
Each deterministic problem: 128x128x128 elements
Steady state diffusion problem.
Look at effect of imposing first order statistics
Mean statistics: Contours, iso surfaces and slices
Higher order statistics: Isosurfaces of standard deviation, pdf’s at two points and slices of standard deviation
Materials Process Design and Control LaboratoryMaterials Process Design and Control Laboratory
CCOORRNNEELLLL U N I V E R S I T Y
CCOORRNNEELLLL U N I V E R S I T Y
RANDOM TOPOLOGY: STOCHASTIC COLLOCATION
N = 9 dimensions
Level 5 interpolation: 15713 deterministic problems
Each deterministic problem: 128x128x128 elements
Steady state diffusion problem.
Look at effect of imposing up to second order statistics
Mean statistics: Contours, iso surfaces and slices
Higher order statistics: Isosurfaces of standard deviation, pdf’s at two points and slices of standard deviation