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Chapter 4 Diffusion on a static surface with ergodic fluctuations

4.7 Numerically Approximating the Effective Diffusion Coefficient

4.7.2 Example 2

In the second example we consider a surface generated by a two-dimensional sta- tionary Gaussian random field. Due to the unbounded support of the random field fluctuations, this case does not fall into the framework of this chapter. However we show that homogenization does appear to occur and that the conclusions of Theo- rems 4.3.3 and 4.6.2 and Proposition 4.5.1 appear to still hold in this case.

We consider an isotropic Gaussian random field h : R2 ! R with mean zero and

exponentially decaying autocorrelation given by c↵(r) =e ⇡↵|r|

2

, (4.55)

where ↵ is a positive constant. By Bochner’s theorem [Reed and Simon, 1975, Theorem IX.9],c↵(x y)defines a covariance operatorC↵, and a Gaussian measure

onL2(Rd) with mean0 and covarianceC↵. Realisations ofh(x) are almost-surely

smooth. To see this, we note that for anyh2⌦andx, y2R2we have that E|h(x) h(y)|2= 2⇣1 e ⇡↵|x y|2⌘2|x y|r,

for anyr > 0. It follows from the Kolmogorov continuity theorem [Stroock, 2011,

Theorem 4.3.2] thath(·)is almost-surely Hölder continuous with exponent strictly

less than one. Moreover, for i = 1,2 the mean-square derivative @xih(x) is also Gaussian, with covariance @x2i,yic(x, y), therefore applying the Kolmogorov conti-

nuity theorem again we see that rh(x) is Hölder continuous. By extending the

argument to higher derivatives it follows thath(x)is smooth.

To be able to simulate a realisation ofh(x) over the domain BR = [0, R]2, we must make the assumption that the field decorrelates over sufficiently long dis- tances. Indeed, we will assume↵andLare sufficiently large so that

c↵(r)⇡0for |r|> R. (4.56)

The approach we take is as follows. We first generate a realisation of a centered Gaussian random field u(x) over [ R, R]2 with periodic boundary conditions and

with autocorrelation

cper (r) =e ⇡↵|r|2per,

where|·|perdenotes the Euclidean norm on[ R, R]2induced by the norm on2RT2. LetK= Z2\ {(0,0)}. Provided assumption (4.56) holds then it is straightforward

to see that the restrictionu|[0,R]2(x) is a centered Gaussian random field with auto-

correlationcper↵ (r)⇡c↵(r), so thatu|[0,R]2 can be used to generate an approximate

sample ofh(x)over this region.

0 5 10 15 20 x1 0 4 8 12 16 20 x2 4 3 2 1 0 1 2 3

Figure 4.5: A realisation of the Gaussian random fieldu(x) generated by the algo-

rithm described in Section 4.7.2, with↵ = 1,M = 1024andR= 10(Note that the

field has been translated periodically from[ R, R]2to[0,2R]2). The region enclosed

by the dotted line is what is retained as a sample ofh(x).

Loeve expansion with respect to the standard Fourier basis{ek}k2K on[ 12,12]2:

u(2Ry) =X k2K p c(k)⇣(k)ek(y), (4.57) where c(k) = 1 (2R)2e ⇡|k|2 (2R)2↵, and ⇣(k) =⇣r(k) +i⇣i(k),

where⇣r(k) and⇣i(k) are standard Gaussian random numbers independent except for the reality constraint that⇣( k) =⇣(k), for alli2K. By taking a finite trunca- tion of the series overKM ={(k1, k2)2K| M ki < M, i= 1,2}, then we can evaluate a realisation ofuoverDR(h)on a uniform2M⇥2M grid using an inverse

FFT: u ✓ Rk M ◆◆ k2KM ⇡F F T 1⇣pc(k)⇣(k)⌘ k2KM . (4.58)

Similarly, the derivatives@xju(x),j = 1,2can be computed by

✓ @xju ✓ Rk M ◆◆ k2KM ⇡ 21RF F T 1⇣2⇡i kj p c(k)⇣(k)⌘ k2KM . (4.59)

Equation (4.59) thus provides us with a scheme to generate an approximate re- alisation of the derivatives of the Gaussian random field u. Implementation on a computer is then straightforward using the gsl implementation of the Ziggurat al- gorithm [Galassi and Gough, 2006; Marsaglia and Tsang, 2000] to sample⇣(k)and

the FFTW library [Frigo and Johnson, 2005] to compute the inverse Fourier trans- form. Once a sample is generated, by discarding all but theM M sample points which lie in BR, we obtain an approximation toh(x) over BR. Figure 4.5 plots a realisation ofu(x)for↵= 1andR= 10using the method described above.

Given a realisation of the derivatives of h(·), we obtain the corrector R by solv- ing the following rescaled cell equation onT2:

ry·

⇣p

|gR|(y, h)gR 1(y, h) ry R(y, h) +e

= 0, y2T2, (4.60)

wheregR(y, h) =I+rh(Ry)⌦ rh(Ry). After rescaling byRthe effective diffusion coefficientDR(h)can be written as

DR(h) = 1 ZR(h) Z Td (I+r R(y, h))⇤gR1(y, h) (I+r R(y, h)) p |gR|dy, (4.61) where ZR(h) = Z Td p |gR|(y)dy.

For a fixed realisationh, the corrector R andDR are then approximated numer- ically using the finite element scheme described in Section 3.6. Computing the periodized effective diffusion coefficient we obtain a distribution of values ofDR, for which theory suggests that converges to a Dirac distribution around the actual value ofDasR! 1.

Using the method described above we generate realisations of DR(h) for ↵ = 1 andR 2[1,15]withN = 103 realisations for eachR. For each realisationh(x) we

use the finite element scheme described in Section 3.6 to approximateDR(h). We use a starting mesh-size of2 6, stopping when the relative error ofDR(h)between successive refinements is10 2. In Figure 4.6 we plot the ergodic average of samples

ofDR(h)for different values ofR. AsN ! 1, the ergodic averages converges to the average value ofDR(h). We note that for larger values of R the ergodic aver- age converges very quickly. Indeed, forR 10, the ergodic average converges to

the mean after only50 iterations. As noted in the previous example however, this

comes at the cost of requiring smaller mesh-sizes to maintain a constant error for the finite element approximation asRincreases. In Figure 4.7, for eachR, we plot the average value of the components ofDR(h). We see that there is good agreement between the mean value ofDR(h) andD for large values ofR and moreover that the mean valueDR(h)becomes isotropic. In Figure 4.8 we plot the standard devia- tion of the distribution ofDR(h)forR2[1,15]and observe the variance decreasing asRincreases and appears to converge to0.

The results plotted in Figures 4.7 and 4.8 suggest that the conclusions of Theorems 4.3.3, 4.6.2 and Proposition 4.5.1 appear to hold true for the case of a Gaussian random field despite the fact that this example does not fall within the framework presented in this chapter, due to the lack of uniform bounds on the field and its derivatives.

100 101 102 103 N 0.0 0.2 0.4 0.6 0.8 D R = 1 R = 3 R = 5 R = 10 R = 15

Figure 4.6: Ergodic averages of DR for differing values of R as N ! 1, for the Gaussian random field. In each case, as N ! 1 converges to the average E[e1·DR(h)e1].

0 2 4 6 8 10 12 14 16 R 0.15 0.30 0.45 0.60 D D he1·DRe1i he2·DRe2i

Figure 4.7: A plot of the averages of the realisations ofDR(h)for increasing values ofR, for the Gaussian random field surface. For each value ofR,103 realisations

were generated. The dashed line indicates the area scaling approximation for D given by 1

ZI. We see that although this model does not satisfy the conditions of the homogenization theorem, homogenization does appear to occur, and we have good agreement with the theory.

0 2 4 6 8 10 12 14 16 R 0.00 0.05 0.10 0.15 0.20 0.25 V ar ( D ) V ar[e1·DRe1]

(a) Plots of the standard deviation of e1 ·

DR(h)e1. 0 2 4 6 8 10 12 14 16 R 0.00 0.05 0.10 0.15 0.20 0.25 V ar ( D ) V ar[e2·DRe2]

(b) Similar plot withe2·DR(h)e2.

0 2 4 6 8 10 12 14 16 R 0.00 0.02 0.04 0.06 0.08 0.10 0.12 0.14 0.16 V ar ( D ) V ar[e1·DRe2]

(c) Similar plot withe1·DR(h)e2.

Figure 4.8: Plots of the standard deviation of the components ofDR(h)for varying Rfor the Gaussian random field surface.

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