I.Sopovskk
TTTTT
The SoíÍKUaťe Tools
(haste iiřfotfnCi4ťoh)
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FIG. 1
Print screen of the user / PD-pp interface(_V8l2c
EQUI LIBRIUM CQMPUTIHQ ENVIRONMENT
CONFIGURATION
INPUT FILES 'problem
parameters
OUTPUT PI LEES
equi 1 i br i urn
variables numeric method
-Fecrc f dc
FERCC.FDD fecrc.par
FECRC.TIE OERR. ERR FECRC.VAR OUFO.UFO
STRATEGY  (type y or n)
usi ng 1ast.equi1i br i um soiut ion using  last problem solution activity evaluation
Y n
y
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FIG. 2
Example of input file *,PDD
<Wz* 3.46 )
PROBLEM DEFINITION DATA number of elements; 3 (rma«t-8) system    (elements): Fe-Cr-C
number of coexisting phases: 3(f**iioj!t-k) number phase i=Fe-gamma    phase E=M7C3 phase 3=MS3CS
base element: Fe
o-f TIE: 1 phase 4=
1 TIE: global content
UA1 . Cr 45.00000 C 5.00000
end o-f FECRC. PDD
equilibrium temperatures 1273.00K! guess of equilibrium concentrations phase i  UA1      phase 2  VA1      phase 3  l%1      phase 4 VA1
1 0 . 000000000      50 . 000000000      60 . 000000000 0.500000000 8.500000000 S.500000000
PÖ-p'b Fie- 3 2*4,
PARAMETERS OF THE Fe-C SYSTEM _ 2 .
Source:  Per Gusta-fson:  A Thermodynamic Evaluation of the Fe-C System, Scand.   J.   of Metall.   14,   (1385) 253-267.
*****PHASEsFe-gamma *****
Model:  Number of sub lattices:   2 < 'vn/A*. *f )
Number of * components: 3 Sublattice Stoich.coef.        Schematic view
1 1.0 Fe 0® m>
2 1.0 0® C Va THERMODYNAMIC PARAMETERSs
Reference  level parameters: Fe:C
1 53535.43 287,269 -4.22932D-8 -48.9643 2639358.5 -2.S43DS 1.2D10 Fe:Va
1 -237.57 132.416 -3.75752D-3 -5.89269D-8 -24.6643 77358.5 0.0 0.0 Interaction parameters of the first order:       included(Y/N>:CY3 L0 LI L2
Fe:C ,Va
"34671.0      0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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Interaction parameters of high order: included(Y/N):LU1
MAGNETIC PARAMETERS: " included(Y/N) :CHI
*****PHASE:Fe~alpha *****
Model:  Number of..................etc.
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FIG. 4
Example of output file *.TIE 3{0 &)CJL
SYSTEM:  Fe-Cr-C DATE 3/28/1332
EQUILIBRIUM:     Fe-gamma. M7C3 M23C6
Number of TIE:       1 >>computed values<<
TIME 14:20: 8.S7
1 TIE: #) T=1273.00LK1 G syst.=    -63970.1600014130100CJ3  MAX INT    NFV= 217
global' cant. VA1 Fe-gamma M7C3 M23C6
Fe    50.0000 SS.92617138 26.71823404 33.40326516
Cr    45.0000 10.76886543 64,43343264 61.03805063
C        5.0000 0.30436253 8.84227333 5.55268421
phase ratio  C  j: .28310345 .43080737 „28008318
phase oner*.   131 : --641333E+05 -.634S07E+05      -. 645545E+05
Elem.    Chem.pot.CJ mol  '1 activity C -53354.21 .04316
TIME 14:20:27.82
*^minimization method message (5)