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English Pages 24 Year 1967
I
This dissertation has been microfihned exactly as received
67-15,217
DE FONTAINE, Didier, 1931A COMPUTER SIMULATION OF THE EVOLUTION OF COHERENT COMPOSITION VARIATIONS IN SOLID SOLUTIONS. Northwestern University, Ph.D., 1967 Engineering, metallurgy
University Microfilms, Inc./ Ann Arbor, Michigan
A COMPUTER SIMULATION OF THE E V O L U T I O N OF COHERENT C O M P O S I T I O N VARIATIONS I N SOLID SOLUTIONS
A DISSERTATION S U B M I T T E D TO THE GRADUATE SCHOOL IN PARTIAL FULFILLMENT OF THE REQUIREMENTS for the degree
DOCTOR OF PHILOSOPHY Fi e l d of Materials Science
By
Didier de Fontaine
Evanston, Illinois June 1967
Summary of the Di.ssert-ati.on,
A COMPUTER SIMULATION OF THE EVOLUTION OF COHERENT COMPOSITION V A RIATIONS IN SOLID SOLUTIONS
By
Didier de Font'aine
A m a t h e m a t i c a l m o d e l governing the b e h a v i o r o f coherent composition vari a t i o n s in cubic crystals of b i n a r y and multicomponent systems has b e e n g i v e n and computer-generated n u m e rical solutions have b e e n obt'ained in some r e l a t i v e l y simple cases.
A single non-linear part'ial differential diffusion
equation, originally derived b y Cahn, or systems o f diffusion equations, governed all processes,
from the init'ial to t'he final coarsening stages
for
any compositi.on and temperature in t'he coherent phase diagram. The case m o s t extensively studied was that o f isothermal decompo sition o f A^-Zn a lloys inside the spinodal.
The diffusion equat'ion was
solved for one-dimensional composition variations in periodic domains.
It
w a s concluded that the characteristics o f the composition profiles appear to var y continuously as the average alloy composition is altered fro m the center to the edge o f the m i s c ibility gap; in other words,
there is no abrupt
change in the morph o l o g y o f the resulting structures at the spinodal compos i t i o n s . • For alloys towards the center o f the misc i b i l i t y gap,
a quasi-
sinusoidal structure developed and grew in amplitude unt i l the coherent phase bound a r i e s were reached.
The r esulting structure w a s quite regular and the
average spacing b e t w e e n particles w a s practically independent of the initial conditions.
As the average composition approached the spinodal, the sinusoidal
p r o f i l e s gave w a y to composition v a riations rese m b l i n g discrete Guinier zones (central enriched regions surrounded b y depleted zones) distributed almost randomly.
A structure consisting o f regularly spaced precipitates
developed w i t h the spacing between precipitates c l osely related to the radius of the Guinier zones.
For average compositions close to the spinodal,
an initial coarsening m e c h a n i s m b e c a m e important,
and the final structures
depended critically on the initial composition fluctuations. A n experimental verification was provided b y small angle X-ray scattering studies p erformed b y Rundman.
Sequences o f experimental and
calculated intensity spectra were similar with r e s p e c t to overall shape, p o s ition of the maxima,
integrated intensity and progressive sharpening
and shift towards lo n g e r wave l e n g t h o f the m a i n satellite envelope.
Theo
retical calculations for the continuous cooling p r o c e s s were also confirmed b y the experimental results.
Some calculations w e r e also performed on two-
dimensional and spherically symmetric composition profiles. A theoretical study of the initial stages o f spinodal decompo sition in n-component systems was undertaken. spinodal consists of n - 1
It w a s shown that the
surfaces enclosing r e gions in which the solid
solution becomes unstable for different sets o f directions in c o m p o s i t i o n space.
It was also shown that the coherent spinodal surfaces m u s t pass
th r o u g h points where these points, strains.
tyio
or more chemical spinodal surfaces intersect.
At
spinodal decomposition can occur initially without coherency
Ce travail est dedicace
h
Danielie.
TABLE OP CONTENTS
I NTRODUCTION
1
1. D E R I V A T I O N OF D I F F U S I O N E QUATIONS
k
1.1. The Diffusion E q u a t i o n for Two-Component Systems
*+
1.2. The Diffusion E q u a tions for Multicomponent Systems-
9
2. S O L U T I O N F O R THE IN I T I A L STAGES OF S P I N O D A L D E C O M P OSITION
15
2.1. Spinodal Decompo s i t i o n in B i n a r y Systems
l6
2.2. Spinodal Dec o m p o s i t i o n in Multicomponent Systems
23
3. S O L U T I O N OF NON-LINEAR EQUATIONS
37
3.1. Polynomial A p p r o x i m a t i o n of Helmholtz Free E n e r g y
-U O
3.2. Discussion of General Method of Solution
Mt
3.3*
58
The Aluminu m - Z i n c S y s t e m
3.1+. Isothermal A g i n g of O ne-Dimensional Composition Variations
63
3.5. One-Dimensional Simul a t i o n of Continuous C ooling
92
•3 .6 . Solid Solutions w ith Plane-Wave Imperfections 3-7*
Two-Dimensional Composition Fluctuations
3.8. Spherically Symmetric Composition Fluctuations
99 105 . 11^4
CONCLUSION
126
REFERENCES
132
A C KNOW IE DGME NTS
135
VITA
. 137 i
Appendix A
139
: N o t ation
A p p e n d i x B : Green's Theorem
1 I+2
A p p e n d i x C : Interpretation of T; Parameters
lhh
A p p e n d i x D : Systems of Ordinary Linear Differential Equations
lh7
Appendix E
: R e l a t i o n s h i p b e t w e e n C h e m i c a l and Coherent Spinodals
A p p e n d i x F : P o l y n o m i a l Free E n e r g y Approximations
152 .
155
A p p e n d i x G : E x p ressions for M(u) and D(u).
159
Appendix H
163
: Desc r i p t i o n of P r o g r a m THERMO
A p p e n d i x I : Desc r i p t i o n of
P r o g r a m PERI0D1D
171
A p p e n d i x J : D e s c r i p t i o n of
Program FYSPIN1P
l8 l
Appendix K
: D e s c r i p t i o n of
P r o g r a m INKPLOT
191
Appendix L
:D e s c r i p t i o n
of P r o g r a m
FYFILM
197
Appendix M
:Desc r i p t i o n
of P r o g r a m
SPICOC
20l|
Appendix N
:D e s c r i p t i o n
of P r o g r a m
FYSPIMFY
211
Appendix P
:D e s c r i p t i o n
of P r o g r a m
F Y S PIN2D
217
Appendix Q
:D e s c r i p t i o n
of P r o g r a m
PLOTOODY
223
Appendix R
D e s c r i p t i o n of P r o g r a m FYSPHERE
Appendix S
: D i f f r a c t i o n Satellites f rom Spherically Symmetric C o m p o s i t i o n Variations
230
236
LIST OF FIGURES
Fig.
1.
Verti c a l se c t i o n C D through t h e .spinodal surfaces for
a ternary r e gular solution model.
3^
The full curves represent
the chemical spinodal, the b r o k e n curves represent the coherent spinodal.
Fig. 2.
Isothermal section through the chemical spinodal
3^
surfaces for a t ernary regular solution mod e l at k T / m = 1/U. Spinodal d ecomposition can occur for composition fluctua tions inside the dark areas, sh o w n at selected points along CD.
Fig. 3*
Helmholtz free e n e r g y data points
(open circles) and
39
fourth-degree p o l y n o m i a l a p p r o x imation (upper f u l l curve). The b r o k e n curve represents a parabolic approximation . about the p o i n t c = c Q .
The se c o n d derivative of the
fourth-degree p o l y n o m i a l free e n e r g y is shown i n the lower par t o f the figure.
Points
c'
and c " are the
spinodal compositions.
Fig.
C sCl structure represented b y a b.c.c. arr a y of tetrak a i d e kahedra instersected b y the symmetry about po i n t r I I I
*.
L
1
(110) plane.
39
Anti
is indicated.
4 4 J
*Fig. 5. Aluminumr-rich side of the A l - Z n phase diagram.
The
57
h e a v y curve shows the coherent misc i b i l i t y gap, the
.Hi
'
'
Reproduced with permission of the copyright owner. Further reproduction prohibited without permission.
* .
b r o k e n curve is the coherent spinodal.
The open circles
indicate the all o y systems investigated.
Fig. 6 .
Helmholtz free energy data (open circles) for the
...
A l - Z n system a n d the corresponding fourth-degree polynomial approximation (full curves) at selected temperatures b e l o w the critical point.
The open triangles represent
additional constructed points.
Fig. 7*
Coherent Helmholtz free energy curves derived f rom
the polynomial approximations of Fig. 6 b y the addition of the t erm T f Y c ( c - 0 . 7 ) .
The calculated coherent equi
librium and spinodal compositions-are indicated b y open circles.
Fig. 8 .
Composition profile used in calculating the normal
ization factor
aQ used
in the percent completion calcul
ations .
Fig. 9*
Calculated values of the logarithm of the intensity
(amplitude squared) versus ag i n g time for the first three Fourier components of a n A g - A u layered structure.
Fig. 10 a. Composition profiles corresponding to the spectrum of Fig. 9 at the initiation of the calculations and at time t = 1+0 min.
Fig.
The broken horizontal lines indicate
the pure components A g and Au.
Continued on Fig. 10 b.
10 b. Continuation of Fig. 10 a.
Composition profiles
at time t = 100 and 2 0 0 min.
The b r o k e n horizontal
lines indicate the p u r e components A g a n d Au.
Fig. 11.
A m p l i t u d e spectra
(absolute magnitude) and corres
p o n d i n g composition p r o f i l e s calculated according to Eq.^-)
for a 0.225 A l - Z n alloy aged
at
1 0 0 °C in a IfOO
A
dom a i n w i t h periodic b o u n d a r y conditions and random i n i t i a l conditions of small a m p l i t u d e .
The broken
h o r i z o n t a l lines indicate the coherent equilibrium compositions.
Fig. 12.
(Computer-generated plots)
Ampli t u d e spectra (absolute magnitude) and corres
p o n d i n g composition p r o files calculated according to Eq.
{ jh )
for a 0.200 A l - Z n alloy a g e d at 100°C in a i+00 A
do m a i n w i t h periodic b o u n d a r y conditions and same initial conditions as in Fig.
11.
Tire b r o k e n horizontal lines
indicate the coherent equi l i b r i u m compositions.
(Computer
g e n e r a t e d plots)
Fig. 13.
A mplitude spectra
(absolute m a gnitude) and corres
p o n d i n g composition profiles calculated according to E q . ( 7 U) for a 0.375 A l - Z n alloy a ged at 1 0 0 °C in a 3 0 0
A
d o m a i n w i t h periodic b o u n d a r y conditions and same initial conditions as in Fig.
11.
The b r o k e n horizontal lines
indicate the coherent e q u i librium compositions.
(Computer
gener a t e d plots)
Fig. I1!.
Ampli t u d e spectra
(absolute magnitude) and corres-
p onding composition profiles calculated according to the linear diffu s i o n equation for a 0.225 A l - Z n a l l o y aged at 100°C in a h O O A domain w i t h periodic b o u n d a r y conditions and same i n i t i a l conditions as i n Pigs. 11 and 12.
The
b r o k e n h orizontal lines indicate the coherent equilibrium compositions.
Fig.
15-
(Computer-generated plots)
Amplitude spectra (absolute magnitude) a n d corres-
8l
po n d i n g composition profiles calculated according to Eq.(7*0 showing the coarsening stage for a 0.225 Al- Z n alloy aged at 100°C in a 1+00 b o u n d a r y conditions Fig. 12).
l.
domain with periodic
(the initial stages were shown in
The broken horizontal lines indicate the
coherent equi l i b r i u m compositions.
(Computer-generated
plots)
Fig. l6.
Calculated percent completion curves for 0.225 A l - Z n
alloys aged at 100°C.
83
Results for small-amplitude r a n d o m
initial conditions fall wit h i n the shaded band.
The
upper full curve is that for a large quenched-in com position fluctuation.
The b r o k e n curves show the corres
ponding percent completion values calculated according to the linear equation.
The open circles indicate un
normalized percent completion values for a spherically symmetric composition variation.
Fig. 17.
Intensity spectra (amplitude squared) calculated
a c c o r d i n g t o E q .(8 o ) for a 0.225 A l - Z n alloy aged at
85
150°C.
The i n itial condition spectrum (curve no. l)
simulates an experimental quenched-in spectrum (curve no. 1 of Fig. l8).
The critical (\e ) and o p timum (\n )
wavelengths are indicated b y a r r o w s . po Fig. l8.
Intensity specta obtained b y Rundman
f r o m small-
85
angle X-ray scattering data on a 0.225 Al- Z n all o y aged at 1 5 0 ° C .
The corresponding calculated spectra are
shown in Fig. 1 7 .
Fig. 19 a and b.
Intensity spectra (amplitude squared) cal-
88
culated a c c o rding to Eq. ( 8 o) for a 0.200 A l - Z n all o y age d first (a)-at 100°C (inside the spinodal) and sub sequently (b) a t 200°C (outside the spinodal).
The
critical (xc ) and optimum (>.n ) wavelengths are indicated b y arrows in Fig. 19 a.
Fig.
19 c.
Continued on Fig. 1 9 c.
Continuation of Fig. 19 a and b
: calculated
89
intensity spectra for the final aging treatment at 100°C (inside the spinodal) of a 0.200 A l - Z n alloy. The critical (lc ) and optimum (xn ) wavelengths a r e • indicated b y arrows.
Fig. 20.
Amplitude spectra (absolute magnitude) and corres-
ponding composition profiles calculated according to Eq.(7*0 for a 0.100 Al - Z n all o y aged at 100°C
(outside
the spinodal) in a 6 0 0 A domain w ith periodic bound a r y conditions.
Three one-dimensional Guinier zones constitute
91
the initial condition (at time zero).
The br o k e n h orizontal
lines indicate the e q u ilibrium compositions.
(Computer
generated plots)
Fig. 21.
Hypothetical cooling curve f rom the solution-treatment
temperature T^ to the quenching bath temperature T^. temperature T q is located just below the spinodal.
93
The Inter
mediate temperatures indicate assumed ranges of validity of free energy curves.
Fig. 22.
E x p o n e n t i a l cooling curves calculated according to
E q . (8 5 ) (solid curves). (l) 1 0 3 °C/sec,
The quenching rates were
(2) 5 X 1 0 3 °C/sec,
(U) 3 X 1 0 4 °C/sec,
(5) 6
93
:
(3 ) 1 0 4 °C/sec,
x 1 0 4 °C/sec,
(6 ) 1 0 5 °C/sec.
Tlie b r o k e n lines are r o u g h sketches of 2, 10 and 65 percent completion curves for a 0.225 A l - Z n alloy.
Fig. 23.
Coherent derivative modulation (a), and composition
profiles
101
(b,c,d) calculated according to Eq.(89) for
a 0.225 A l - Z n alloy age d at 100°C in a n imperfect hOO A domain w i t h insulating b o u n d a r y c o n d i t i o n s .
The initial
condition is shown in Fig. 25 a.
Fig.
2k.
C o h erent derivative modulation (a), and composition
profiles
(b,c,d) calculated according to Eq.(89) for a
0.225 A l - Z n alloy age d at 100°C in a n imperfect 1+00 A domain w i t h insulating bound a r y conditions. condition is shown in Fig. 25 a.
The initial
102
Fig. 25.
C o m p o s i t i o n profiles calculated according to E q . ( 8 9 )
103
for a 0.225 A l - Z n alloy age d at 100°C in a n imperfection/ free h O O A domain w i t h i n sulating b o u n d a r y conditions. Figure
2k Fig. 2 6 .
(a) is the common initial condition for Figs. 23,
and 2 5 .
A c r y l i c sheet and nyl o n m o d e l of a two-dimensional
108
Fourier s p e c t r u m (absolute magnitude) calculated according to E q . (90) for a 0.225 A l - Z n alloy aged at 100°C for
1 5 0 0 sec (corresponding composition profile is shown in lower frame of F i g . 27 c ).
Fig. 27 a.
Two-dimensional composition profiles synthesized
109
f r o m amplitude spectra of Eq.(90) for a 0.225 A l - Z n alloy age d at 100°C for 0 a n d 300 sec. computer-generated plots)
(Traced-over
Continued on Fig. 27 b, c
and d.
Fig. 27 b.
Continuation of Fig. 27 a.
Two-dimensional profiles
110
synthesized fro m amplitude spectra of Eq.(90) for a 0.225 A l - Z n alloy aged at 100°C for 600 and 900 sec. C ontinued o n Fig. 27 c a n d d.
Fig. 27 c.
Continuation of Fig. 27 b.
Two-dimensional profiles
synthesized fro m amplitude spectra of Eq.(90) for a 0.225 A l - Z n alloy a g e d at 100°C for 120 0 a n d 1500 sec. Continued on Fig. 27 d.
Fig. 27 d.
C o n t i nuation of Fig. 27 c.
Two-dimensional profiles
111
synthesized f r o m amplitude spectra of Eq.(90) for a 0.225 A l - Z n alloy a g e d at 100°C for 180 0 sec.
Fig. 28.
Amplitude spectra
(absolute magnitude) and corres-
122
p o n d i n g spherically symmetric composition profiles cal culated according to Eq.(l06) for a 0.225 A l - Z n all o y age d at 100°C (inside the spinodal) in a 300 A radius spherical domain.
I n itial condition is a small composition
fluctuation a t the origin.
The b r o k e n horizontal lines
indicate the e q u i l i b r i u m compositions.
(Computer
generated plots)
Fig. 29.
Amplitude spectra (absolute magni t u d e ) and corres-
12h
po n d i n g spherically symmetric c o m position profiles cal culated according to Eq.(l06) for a 0.100 A l - Z n all o y age d at 100°C
(outside the spinodal) in a 300 A radius
spherical domain.
Initial condition (at time zero) is
a spherically symmetric Guinier zone.
The broken h orizontal
lines' indicate the equi l i b r i u m compositions.
(Computer
generated plots)
Fig. Al.
Interpretation of the T]j (j = l,...,n) parameters
for multicomponent systems.
A h y p o t h e t i c a l lattice
parameter versus composition surface
is shown in p e r
spective for the t e r n a r y subsystem (j,k,n).
The plane
tangent to this surface at a Q (average lattice parameter) is also indicated.
lh5
Fig. A2.
Ideal e n tropy (full curve) and its fourth-degree
lb 5
Legendre p o l y n o m i a l approximation (open circles).
Fig. A3.
Diffu s i o n equation coefficient
d (u ) (solid
curve)
160
and its parabolic T a y l o r ’s .expansion about u = 0 (c 0 = 0.225 at. fract. Zn) in the case of a n A l - Z n solid solution at 100°C.
True spinodal compositions
are indicated b y open circles, incorrect ones
(derived
from the parabolic expansion) b y open triangles.
Fig.
Ah.
Photographic reproduction of typical Fourier
spectrum a n d composition profile plots generated b y the subroutine GRAPH used in conjunction with programs F Y S P I N 1 P or FYSPIMPY.
The symbols A X M I N A ,
DAXA, WAX, AXMINU, D AXU 'were added manually.
182
LIST OF PRINCIPAL SYMBOLS
First used on page
A
Amplitude vector
19
A
Time derivative of amplitude vector
19 19
A°
Initial amplitude vector
A
Amplitude vector in diagonalyzed sy s t e m
27
Fourier coefficients, amplitudes
17
A°
Initial amplitudes
19
Ak
Fourier cosine coefficients
65
A
Sums of products of amplitudes
1+8
A
k
k
a aj
_
5
Lattice parameter Coefficients o f fourth-degree p o l y n o m i a l in u A = BA
1+2
B
M atrix in system
19
B
Diagonalized m a t r i x B
27
Bk
Fourier sine coefficients
65
Bj
Sums of products of amplitudes
ll 8
b KL Elements of m a t r i x B
19
Ck
61+
C o m p l e x Fourier coefficients Sums of products of complex Fourier coefficients
^ i x ’C i s ’ C44
65 6
Elastic constants
c
Composition (atomic fraction) in b i n a r y system
1+
cQ
Average composition in bi n a r y system
It
ct c°
Composition (atomic fraction) in multicomponent system Average composition in multicomponent system
9 9
c 7 ,c"
Coherent spinodal compositions
^3
0 ^, 0 ^
Coherent equi l i b r i u m compositions
^3
xii
Page . D
Diffusion equation coefficient
B o j D i ,D 2 D^, D*
1+5
Coefficients of expan s i o n of D
1+5
Tracer diffusivities
‘
7
E
Diagonalizing operator of matrix B
27
Ej
Eigenvectors of matrix B
30
F
Free energy of non-uniform system
F
Polynomial approximation of free energy
F
Matrix of second derivatives of free energy
31
F
Matrix of minors of matrix F
32
Fk
Amplitudes for spherically symmetric fluctuations
5 f
F k>k' Fourier coefficients of coherent second derivative f
Helmholtz h u l k free en e r g y
f 0 ,fg,f ",f'",fo
1+2
109 17 5
Bulk-free energy and derivatives at u = 0
16,56
fjj
Second derivatives of free energy (multicomponent systems)
2l+
G
Coefficient matrix for multicomponent systems
25
G°
Coherent second derivative matrix for multicomponent systems
28
G jj
Elements of matrix G
25
Gn
Function x _1 sin x integrated fro m
J
Flux for b i n a r y systems
Jk
Flux for multicomponent systems
k
Boltzmann's constant
k
Wave index
M
Mobility in b i n a r y systems
M
Mobility matrix in multicomponent
• 0 to m n
117 ^ 12 7 61+ 5
systems
25
Mo,Mi,Ma , Coefficients of expansion of M
^5
M kl Elements of mobility matrix
12
Ny
7
Number of atoms per unit volume
9
n
Number of components in multicomponent
systems
n
M a x i m u m number of Fourier coefficients
retained
p
Percent completion
67
Q
Activation energy
62
Q
Quadratic f orm
£S
Q
Source t erm vector
19
Qk
Fourier coefficients of source term
q
Source t e r m i n binary systems
qk
Source ter m in multicomponent
6k
' 17 5
systems
lh
62
R
Gas constant
R
Radius of spherical domain
115
r
Radial polar coordinate
llL
r
Position vector
T
Absolute temperature
t
Time
U
Free energy of volume element of non-uniform system
U0
Free energy of volume element of uniform system
u
Composition variation c - c 0
1+
"
7 ■■ h
6 10 1+
u
Composition variation vector in multicomponent systems
28
u
Normal composition variation vector
29
u0
Initial composition fluctuation
9
Uj
Composition variation c t - c°
9
V
Domain volume
17
v
Function r u
1-15
W
Coherent strain energy
5jl0
Xj
Coefficients of fourth-degree polynomial F
1+2
x
C a r t e s i a n distance coordinate
63
Yk
S t r a i n energy parameter
o'*
E i genvalue of matrix B, amplification factor
ofk
Eigenvalue of ma t r i x B, amplification
o£
A m p l i f i c a t i o n vector
p
W a v e number
5
factor
' "
21,50 26
1+3 17
Critical 'wave number
20
(3B
O p t i m u m wave number
90
At
Iteration time step
21
7|
Linear expansion per unit composition
1|
Vec t o r of comp'onents 1^
change
5 31
Tlj
Ti parameters for multicomponent systems
h
Gradient energy coefficient in binary systems
H jj
Gradient energy coefficient in multicomponent systems
13
X
Wave l e n g t h
61+
Xa
Op t i m u m ’wavelength
cp
Potential for bi n a r y
cpt
Poten t i a l for multicomponent systems
0
Integrated
a0
Normalization factor for percent
13 5
53,60 systems
5
(c - c 0 ) 2
11 67
completion
t
Re d u c e d temperature k T / m
u>
Interaction parameter for regular solution model
67 33
DO 2 0 L = 1 »N A1 = ALPHA( 2 »L ) $ A2 = ALPHA( 3 » L) KL = K- L $ LK = K+L I F( KL) 2 3 , 2 0 , 2 1 21 C ( K ) = C ( K ) + DBK# t ( A 1 * C 0 ( K L ) + A 2 * C T ( K L ) ) * C 0 ( L ) 1A2* CT( LK) >* CONJG( CO( L) )) GO TO 2 0 23 KL = - KL
( A1*C0(LK)
+
C(K ) = C (K) + DBK*((Al*CONJG(CO{KL)) + A2*CONJG(CT(KL)))*C0(L) 1(A1*C0(LK) + A2*CT(LK))*CONJG(CO)) 2 0 CONTINUE IF CCABS( C C1 ) 1 . GE. 1 0 . 0 ) GO TO A ... IF-( MOD ( AM»APRI NT ) ) 1 6 , 1 7 . 1 6 17 TIME = AM*DELT C C
FOURIER SYNTHESIS DO 50 K=1»N A ( K) = REAL( C( K) )
B(K ) = AIMAG(C (K)) I NT( K) = A ( K) * A ( K) + B ( K ) * 6 ( K ) 50 AMP( K) = SORT( I NT( K) ) SUM = 0 . 0 DO 81 K=1»MAX 81 SUM = SUM + I NT( K) PER = 2 0 0 . *SQRT