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Nuclear Reactor Theory

Multigroup Diffusion Equation in Spherical geometry

Syeilendra Pramuditya

http://syeilendrapramuditya.wordpress.com
2009

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Problem 8A
According to the instruction, this problem should be solved by using the one-group diffusion
equation. To condense the group constants (5 groups to 1 group), we need to calculate the
fluxes for each group again, because the geometry in this problem (spherical) is different from
geometry of previous problem (cylindrical), which means that the geometrical buckling for
each group must be different from previous problem.

The general multi-group neutron diffusion equation is expressed as follow:

v
1 ∂φg (r , t ) r vr v v v
− ∇ ⋅ Dg ( r )∇φ g ( r , t ) + Σrg ( r )φ g ( r , t ) =
vg ∂t
(0)
G
v v χ G
v v
∑
g '≠ g
Σ sg ' g (r )φ g ' (r , t ) + g
keff
∑ vg 'Σ fg ' (r )φg ' (r , t )
g '=1

And, by assuming that we are dealing with a steady state homogenous system, the equations
simplify as follow:

v v G
v χ G
v
− Dg ∇ 2φ g ( r ) + Σ rgφ g ( r ) = ∑ Σ sg ' gφ g' ( r ) + g ∑v g' Σ fg'φg ' ( r ) (0)
g '≠ g keff g ' =1

First, we need to find the expression of geometrical buckling for spherical geometry, we
introduce the Helmhotz equation as follow:
v v
∇ 2φ (r ) + B 2φ (r ) = 0 (0)

The above equations is actually about the Eigen value problem.

For spherical geometry, the Laplacian takes the form:

∂2 2 ∂ 1 ∂2 cos φ ∂ 1 ∂2
∇2 = + + + + (0)
∂r 2 r ∂r r 2 sin 2 φ ∂θ 2 r 2 sin φ ∂φ r 2 ∂φ 2

And by assuming that the system under consideration only depends on radial coordinate, and
does not depend on any angular coordinates, the Laplacian simplifies as follow:

∂2 2 ∂
∇2 = + (0)
∂r 2 r ∂r

And now substitute eq. (0) to eq. (0):

 ∂2 2 ∂ 
 2+  φ (r ) + B φ (r ) = 0
2
(0)
 ∂r r ∂r 

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Eq. (0) has the boundary condition of:
° )=0
φ (r = R
(0)
° = R + 0.71/ Σ
R tr

The general solution of eq. (0) is as follow:

sin Br cos Br
φ (r ) = C1 + C2 (0)
r r

Where C1 and C2 are constants, the second term of the above equation becomes infinity as r
approaches zero, therefore, C2 should be zero, then:
sin Br
φ (r ) = C1 (0)
r

Applying the boundary condition, eq. (0):

°
° ) = C sin BR = 0
φ (r = R (0)
1 °
R

Therefore, B should be:

nπ
B=
°
R (0)
n = 1,3, 5,...

Therefore, the solutions of this Eigen value problem are as follow:

sin Br
φ (r ) = C1 ⇐ The Eigen Function (0)
r
nπ
B= ⇐ The Eigen Value
°
R (0)
n = 1,3, 5,...

The geometrical buckling is then defined as the fundamental Eigen value of the Laplace
operator, which is when n = 1:
2
π 
B = 
2
⇐ Geometrical Buckling for Spherical Geometry (0)
° 
R

C1 in eq. (0) is the normalization factor for flux, and can be calculated from reactor power
(1000 MWt), as follow:

P = ∫ w f Σ f φ (r )dV (0)
V

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4
V = π r 3 ⇒ dV = 4π r 2 dr (0)
3

Substitute eq. (0) and (0) to eq. (0):

°
R
 sin Br 
P = ∫ w f Σ f  C1  4π r dr
2
(0)
0  r 

°
R
P = 4π w f Σ f C1 ∫ r sin( Br )dr (0)
0

By using the method of Integral by Parts:

° °
R °
P R
 1  r 
R

= ∫ r sin( Br )dr =  2 sin( Br )  −  cos( Br )  (0)

4π w f Σ f C1 0 B 0  B 0

°2 π ° °
P R
= 2 sin( R
R
)−0− R° cos( π R
° )+0 (0)
4π w f Σ f C1 π °
R π °
R

P °2
R °2
R °2
R
= sin(π ) − cos(π ) = (0)
4π w f Σ f C1 π 2 π π

P P
C1 = = (0)
2
° wΣ
4R ° w ( vΣ / 2.5 )
4R
2
f f f f

109
C1 =
4 × (200 + 4.3299897447) 2 × (200 ×106 ×1.602 × 10−19 ) × ( 5.4083863335 × 10-2 / 2.5 )

C1 = 8.6388429105 × 1015

As r approaching zero:
sin B (r → 0) Br
φ (r → 0) = C1 ; C1 = C1 B (0)
(r → 0) r

Therefore:

φ (r = 0) = C1 B = 1.3282301564 × 1014 (0)

Therefore, the flux distribution can be calculated analytically by using eq. (0), (0), and (0),
and the results are as follow:

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r
Flux Distribution in Spherical Geometry (cm) Flux
0 1.32823E+14
25 1.29576E+14
1.4E+14
50 1.20121E+14
1.2E+14 75 1.05283E+14
1.0E+14 100 8.63406E+13
125 6.48949E+13
8.0E+13 150 4.27057E+13
Flux

6.0E+13 175 2.15143E+13

200 2.87349E+12
4.0E+13 °
R 0
2.0E+13
0.0E+00
0 50 100 150 200 250
r (cm)

Problem 8B
First, the removal cross sections for each group are calculated as follow:
G
Σ rg = Σ ag + ∑
g '= g +1
Σgg ' (0)

5
Σ r1 = Σ a1 + ∑ Σ gg ' = Σa1 + Σ12 + Σ13 + Σ14 + Σ15 = 0.04 + 0.02 + 0 + 0 + 0 = 0.06
g '= 2

5
Σ r 2 = Σ a 2 + ∑ Σ gg ' = Σa 2 + Σ23 + Σ24 + Σ25 = 0.06 + 0.005 + 0 + 0 = 0.065
g '=3

5
Σ r 3 = Σ a 3 + ∑ Σ gg ' = Σa 3 + Σ34 + Σ35 = 0.05 + 0.001 = 0.051
g '= 4

5
Σ r 4 = Σ a 4 + ∑ Σgg ' = Σa 4 + Σ45 = 0.17 + 0.00005 = 0.17005
g '=5

Σr 5 = Σa 5 = 3

And the extrapolation distance for each group are calculated as follow:

d g = 0.7104 / Σtr (0)

d[1] = 5.3280000000E+00 cm
d[2] = 2.1312000000E+00 cm
d[3] = 1.9180800000E+00 cm
d[4] = 1.7049600000E+00 cm
d[5] = 5.1148800000E-01 cm

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And geometrical buckling for each group is calculated as follow:
2
π   π 
2

B 2
=  =  (0)
group °   R+d
R  g 
B[1] = 2.3410106613E-04
B[2] = 2.4156445856E-04
B[3] = 2.4207465940E-04
B[4] = 2.4258647831E-04
B[5] = 2.4548288893E-04

Then the fluxes for each group are calculated as follow:

χ1
φ1 = (0)
D1 B12 + Σ r1
χ 2 + Σ s12φ1
φ2 = (0)
D2 B22 + Σ r 2
χ 3 + Σ s13φ1 + Σ s 23φ2
φ3 = (0)
D3 B32 + Σ r 3
χ 4 + Σ s14φ1 + Σ s 24φ2 + Σs34φ3
φ4 = (0)
D4 B42 + Σ r 4
χ 5 + Σ s15φ1 + Σs 25φ2 + Σs35φ3 + Σs 45φ4
φ5 = (0)
D5 B52 + Σ r 5

The results are as follow:

flux[1] = 1.4855100217E+01 #/cm2.s
flux[2] = 6.0866413556E+00 #/cm2.s
flux[3] = 5.9419121579E-01 #/cm2.s
flux[4] = 3.4902315167E-03 #/cm2.s
flux[5] = 5.8169382911E-08 #/cm2.s

And, by assuming that S / keff = 1,

G G
keff = S = ∑ vg 'Σ fg 'φg ' = ∑ ( vΣ f ) φg '
g'
g '=1 g '=1 (0)
keff = ( vΣ f ) φ1 + ( vΣ f ) φ2 + ( vΣ f ) φ3 + ( vΣ f ) φ4 + ( vΣ f ) φ5
1 2 3 4 5

keff (5 groups) = 1.1649352141

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One group constants are calculated as follow:

G

∑Σ
g =1
ag gφ
Σa = G
= 4.5948564225 ×10−2 cm-1 (0)
∑φg =1
g

∑ ( vΣ )
g =1
f g
φg
vΣ f = G
= 5.4083863335 ×10-2 cm-2 (0)
∑φ
g =1
g

∑D φ
g =1
g g

D= G
= 2.0317144072 cm -2 (0)
∑φ
g =1
g

d = 0.7104 × 3D = 4.3299897447 cm (0)

vΣ f
keff (1 group) = = 1.1648762639
DB 2 + Σ a

The result of k-eff (1g) is slightly different from k-eff (5g), this is caused by error from group
constants condensation process.

Problem 8C
The numerical method to solve this problem consists of two coupled iteration schemes:
1. Inner iteration to calculate the neutron flux
2. Outer iteration to calculate the keff, which is performed after the inner iteration is
numerically converged
This coupled equation system to calculate keff and the corresponding flux is known as the
power iteration method.

1. The Inner Iteration: Flux Calculation

The one-group neutron diffusion equation in a homogenous system is expressed as follow:

v v 1 v
− D∇ 2φ ( r ) + Σ a φ (r ) = S (r ) (0)
keff

In an angular-independent spherical coordinate, eq. (0) takes the form as follow:

 d2 2 d  1
− D 2 +  φ ( r ) + Σ a φ (r ) = S (r ) (0)
 dr r dr  keff

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d 2φ ( r ) 2 dφ (r ) Σ a S (r )
2
+ − φ (r ) = − (0)
dr r dr D keff D

For r = 0, the second term in the left hand side of eq. (0) will become infinity, to handle this
problem, we will use the L’Hospital Theorem:

2 dφ (r = 0) d 2φ ( r = 0 )
=2
r dr dr 2
(0)

Therefore, we will divide eq. (0) into two parts:

d 2φ (r = 0) Σ a S ( r = 0)
3 2
− φ (r = 0) = − ⇐ for r = 0 (0)
dr D keff D
And,

d 2φ ( r ) 2 dφ (r ) Σ a S (r )
2
+ − φ (r ) = − ⇐ for r ≠ 0 (0)
dr r dr D keff D

With boundary conditions as follow:

φ (r = 0) ≠ 0
° )=0
φ (r = R (0)
S (r = R) = 0

Next, we will use the central finite difference approximation:

df ( x) f − f i −1
≅ i +1 (0)
dx 2∆x
d 2 f ( x) f − 2 f i + f i −1
≅ i +1 (0)
dx 2
( ∆x) 2

Substitute eq. (0) to eq. (0):

φ i +1− 2φ0 + φ i −1 Σa S
3 − φ0 = − 0 ⇐ for r = 0 (0)
(∆r ) 2
D keff D
By using the principle of symmetry, eq. (0) becomes as follow:
2φ 1− 2φ0 Σ a S
3 − φ0 = − 0 ⇔ untuk r = 0 (0)
( ∆r ) 2
D keff D

By rearranging the terms, we will get:

D ( ∆r ) 2  6 S0 
φ 0new =  φ old
1 +  ⇐ for r = 0 (0)
6 D + Σ a (∆r ) 2  (∆r )
2
keff D 

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Now, substitute eq. (0) and eq. (0) to eq. (0):

φ i +1− 2φ i + φ i −1 2 φ i +1 − φ i −1 Σa S
+ − φ i = − i ⇐ for r ≠ 0 (0)
(∆r ) 2
i∆r 2∆r D keff D

By rearranging the terms, we will get:

D(∆r ) 2  φ iold
+1 + φ i −1
old
φ iold
+1 − φ i −1
old
S 
φ inew =  + + i  ⇐ for r ≠ 0 (0)
2 D + Σ a (∆r ) 2  (∆r )
2
i (∆r )2
keff D 

Therefore, eq. (0) and (0) will be used in the inner iteration to evaluate the flux distribution
numerically. The inner iteration is continued until the error in flux decreases below some
specified amount:

φ new − φ old
error in φ = < errormax (0)
φ new

Note that eq. (0) and (0) are known as the Jacobian Iteration Scheme, we can improve the
rate of convergence by employing the Gauss-Siedel Iteration Scheme to eq. (0):

D(∆r ) 2  φ iold
+1 + φ i −1
new
φ iold
+1 − φ i −1
new
Si 
φ new
i =  + +  ⇐ for r ≠ 0 (0)
2 D + Σ a (∆r ) 2  (∆r )
2
i (∆r )2 keff D 

We can improve the rate of convergence even further by employing the Successive over
Relaxation (SOR) scheme:

φ iSOR = φ inew + α (φ inew − φ iold )

(0)

Where α is the SOR constant, and unique for each equation system (0 < α < 1) .

2. The Outer Iteration: k-eff Calculation

First, we will re-write eq. (0) as follow:

v 1 v
M φ (r ) = Fφ ( r ) (0)
keff

M ≡ destructio n operator = ( −D ∇2 + Σa )
(0)
F ≡ production operator = vΣ f (0)

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v
We do not really know the source term, Fφ ( r ) , since it involves the flux itself, hence, we must

make an initial estimate of source term, keff, and flux to start the calculation:

Si ; Siold and φi ; φiold and keff ; keffold (0)

Next, we evaluate the flux by using these initial estimations, and employing the inner iteration
scheme, which are eq. (0) and (0), that is to solve the following equation:
1
M φ inew = S iold (0)
keffold

Once the inner iteration converged, we will get the new flux distribution, φ inew . By using this
newly calculated flux, then we can generate improved estimates of source:

Sinew = Fφ inew = vΣ f φinew (0)

As the iteration number becomes large, it is expected that we eventually will get the true Eigen
function of flux, which satisfies eq. (0). The keff is defined as the ratio of the number of
neutrons in two consecutive fission generations, hence, by using eq. (0), keff can be evaluated
as follow:
1
M φ inew = new
Fφ inew (0)
k eff

By performing the volume integration to eq. (0), we will get:

∫ dV Fφinew
keffnew = Vcore
(0)
∫
Vcore
dV M φinew

Recognizing that Fφi ≡ Sinew , and make use of eq. (0), we can re-write eq. (0) as follow:
new

∫ dV Sinew ∫ dV Sinew
keffnew = Vcore
= Vcore keffold (0)
1
∫
old
dV S
keffold ∫
Vcore
dV Siold
Vcore
i

Notice that by scaling the source term in eq. (0) and (0) by a factor of (1/keff) in each iteration,
we prevent the numerical overflow or underflow and assure that this iteration scheme will
stable and converge. The outer iteration is continued until the error in keff and/or S decreases
below some specified amount:

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 keffnew − keffanalytic
 analytic
< errormax1
 keff

error in k eff = (0)
 new
 keff − keff < errormax1
old

 keffnew

S new − S old
error in S = < errormax2 (0)
S new

Therefore, eq. (0) and (0) are the algorithmic basis of the outer iteration to determine keff.

The flowchart of this power iteration method is shown below:

The Power Iteration Method

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After the iteration converged, we must normalize the flux to the reactor power (1000 MWt), by
using eq. (0) and (0):
R
P = ∫ w f Σ f φ (r )dV = w f Σ f 4π ∫ φ (r )r 2 dr (0)
V 0

Integral in the above equation is solved by using the Trapezoidal Method for numerical
integration:

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R  φi ( idr ) 2 + φi +1 ( (i + 1) dr ) 2 
∫0 φ (r )r dr ; dr  
2
(0)
2 


Therefore the normalization factor for the flux is as follow:

reactor power
f norm = R
(0)
w f Σ f 4π ∫ φ (r )r 2 dr
0

To perform this numerical calculation, I developed a code based on the Pascal language,
please refer to the appendix section at the end of this report.

From analytical calculation, we have these data:

keff (1 group) = 1.1648762639

D/Σ r = 5.7625913284 cm

The outer iterations were then performed by employing two kinds of convergence criteria:

keffnew − keffanalytic
ε= < MAXERROR ⇐ relative error
keffanalytic

keffnew − keffold
e= < MAXERROR ⇐ residual error
keffnew

And here are some parameters used in the calculation:

• maximum error for flux calculation: 1E-6
• maximum error for source calculation: 1E-6
• maximum error for k-eff calculation: 1E-6
• maximum inner iteration: 10000
• maximum outer iteration: 10000

The results are as follow:

Table 1. Calculation Results

Average
Total Outer
Mesh Width Error Type Inner calculated keff Difference* (%)
Iteration Iteration
Iteration

D/Σ r residual 4830 332 14.55 1.16456841772010 0.026427372

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0.5 × D/Σ r residual 12877 337 38.21 1.16491056028794 0.002944209

0.2 × D/Σ r residual 48124 335 143.65 1.16485925288219 0.001460328

D/Σ r relative 14498 10000 1.45 1.16456721274325 0.026530814

0.5 × D/Σ r relative 22540 10000 2.25 1.16490671885187 0.002614438

0.2 × D/Σ r relative 57789 10000 5.78 1.16483730750576 0.003148314

*Relative difference from analytical keff

As shown in Table 1, by using relative error, it is very difficult to reach numerical convergence
with the accuracy for keff calculation of 10-6, even up to outer iteration of 10000, it has not
converged yet. It is found that the best result was achieved when we use mesh size of

0.2 × D/Σ r , and maximum residual error of 10-6, which only produce relative difference from
analytical keff of 0.001460328%, as shown in the third row of Table 1.

Neutron flux distribution calculated with numerical method is shown below:

Flux Distribution in Spherical Geometry

1.4E+14

1.2E+14

1E+14

8E+13
Flux

6E+13

4E+13

2E+13

0
0 50 100 150 200 250
r (cm )

This result is almost identical to that from analytical solution.

Appendix: The Code

program spherical_diffusion;
uses crt;

var
file1:text;
i,nr,iter_in,itermax_in,iter_total:integer;

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konvergen,conv_source:boolean;
radius,dr,sigma_a,D,error,alpha,errmax_flux:real;
FluxOld,FluxNew:array[0..1000] of real;
Sold,Snew:array[0..1000] of real;
nusigma_f,sum1,sum2,kold,knew,err_source,errmax_source,err_k:real;
errmax_k,sigma_f,fluxnorm,volume,power,dummy1:real;
iter_out,itermax_out:integer;

function calculate_center(a,b,c,d,e:real):real;
begin
calculate_center:=(a*sqr(b)/(6*a+c*sqr(b)))*(6*d/sqr(b)+e/a);
end;

function calculate_region(a,b,c,d,e,f,g:real):real;
begin
calculate_region:=(a*sqr(b)/(2*a+c*sqr(b)))*((d+e)/(sqr(b))+(d-e)/(g*sqr(b))+f/a);
end;

begin
clrscr;
assign(file1,'out.txt');
rewrite(file1);

{preparing all required data}

alpha:=0;
radius:=204.3299897447;
sigma_a:=4.5948564225E-02;
D:=2.0317144072;
errmax_flux:=1E-6;
errmax_source:=1E-6;
errmax_k:=1E-6;
itermax_in:=10000;
itermax_out:=10000;
nusigma_f:=5.4083863335E-02;
sigma_f:=nusigma_f/2.5;
volume:=(4/3)*PI*radius*radius*radius;
power:=1E+9;
dr:=2.8812956642;
nr:=round(radius/dr);

{boundary condition}
FluxNew[nr]:=0;
FluxOld[nr]:=0;
Sold[nr]:=0;
Snew[nr]:=0;

{initial guess}
for i:=0 to nr-1 do
begin
FluxOld[i]:=1;
FluxNew[i]:=1;
Sold[i]:=1;

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Snew[i]:=Sold[i];
end;
kold:=1;

writeln('Calculation started...');
writeln;
iter_total:=0;

{outer iteration}
iter_out:=0;
repeat
begin
inc(iter_out);
conv_source:=true;

{inner iteration}
iter_in:=0;
repeat
begin

inc(iter_in);
konvergen:=true;
inc(iter_total);

{evaluete flux}
FluxNew[0]:=calculate_center(D,dr,sigma_a,FluxOld[1],Sold[0]/kold);
for i:=1 to nr-1 do
begin
{Jacobian}
FluxNew[i]:=calculate_region(D,dr,sigma_a,FluxOld[i+1],FluxOld[i-1],Sold[i]/kold,i);
{Gauss-Siedel}
{FluxNew[i]:=calculate_region(D,dr,sigma_a,FluxOld[i+1],FluxNew[i-1],Sold[i]/kold,i);}
end;

{SOR subroutine}
for i:=0 to nr-1 do
begin
FluxNew[i]:=FluxNew[i]+alpha*(FluxNew[i]-FluxOld[i]);
end;

{convergence test for flux}

for i:=0 to nr-1 do
begin
error:=abs(FluxNew[i]-FluxOld[i])/FluxNew[i];
if (error > errmax_flux) then konvergen:=false;
end;

{update flux}
for i:=0 to nr do FluxOld[i]:=FluxNew[i];

end;
until (konvergen=true) OR (iter_in > itermax_in);

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{convergence test for source}

for i:=0 to nr-1 do
begin
Snew[i]:=nusigma_f*FluxNew[i];
err_source:=abs((Snew[i]-Sold[i])/Snew[i]);
if (err_source>errmax_source) then conv_source:=false;
end;

sum1:=0;
sum2:=0;
for i:=0 to nr do
begin
sum1:=sum1+Sold[i];
sum2:=sum2+Snew[i];
end;

{convergence test for k-eff}

knew:=kold*(sum2/sum1);
err_k:=abs((knew-kold)/knew);
{err_k:=abs((knew-1.1648762639)/1.1648762639);}

{update source and k-eff}

for i:=0 to nr do Sold[i]:=Snew[i];
kold:=knew;

end;
until (iter_out=itermax_out) or ((conv_source=true) and (err_k<=errmax_k));

{flux normalization to reactor power}

sum1:=0;
for i:=0 to nr-1 do
begin
{trapezoid method for numerical integration}
sum1:=sum1+(dr/2)*(FluxNew[i]*sqr(i*dr)+FluxNew[i+1]*sqr((i+1)*dr));
end;
fluxnorm:=(3.204E-11)*sigma_f*4*PI*sum1;
fluxnorm:=(1E9)/fluxnorm;

{saving results to file}

append(file1);
writeln(file1,'k-eff = ',knew);
writeln(file1);
writeln(file1,' r (cm) Flux');
for i:=0 to nr do
begin
FluxNew[i]:=FluxNew[i]*fluxnorm;
append(file1);
writeln(file1,i*dr:10:3,' ',FluxNew[i]:10:0);
end;

close(file1);

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writeln('Calculation finished! result saved to out.txt');

readln;
end.

Sample output:

k-eff = 1.1645684177

r (cm) Flux
0.000 1.32989E+14
5.763 1.32811E+14
11.525 1.32276E+14
17.288 1.31388E+14
23.050 1.30151E+14
28.813 1.28570E+14
34.576 1.26654E+14
40.338 1.24412E+14
46.101 1.21854E+14
51.863 1.18992E+14
57.626 1.15841E+14
63.389 1.12414E+14
69.151 1.08730E+14
74.914 1.04804E+14
80.676 1.00655E+14
86.439 9.63036E+13
92.201 9.17690E+13
97.964 8.70725E+13
103.727 8.22357E+13
109.489 7.72808E+13
115.252 7.22303E+13
121.014 6.71068E+13
126.777 6.19334E+13
132.540 5.67328E+13
138.302 5.15278E+13
144.065 4.63408E+13
149.827 4.11941E+13
155.590 3.61091E+13
161.353 3.11070E+13
167.115 2.62079E+13
172.878 2.14315E+13
178.640 1.67962E+13
184.403 1.23195E+13
190.166 8.01799E+12
195.928 3.90682E+12
201.691 0.00000E+00

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References
1. Duderstadt, James J. and Louis J. Hamilton. (1976), Nuclear Reactor Analysis, John
Wiley & Sons, Inc, New York.
2. DeVries, Paul L., (1993), A First Course in Computational Physics, John Wiley & Sons,
Inc, New York.
3. Press, William H., Brian P. Flannery, Saul A. Teukolsky, William T. Vetterling. (1989),
Numerical recipes in Pascal, Cambridge University Press, New York.
4. http://en.wikipedia.org/wiki/Laplacian
5. http://en.wikipedia.org/wiki/Integrate_by_parts
6. http://en.wikipedia.org/wiki/Finite_difference
7. http://en.wikipedia.org/wiki/Numerical_integration
8. http://en.wikipedia.org/wiki/L'Hôpital's_rule

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