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THERMO CALC version M for PC / Windows NT

Copyright (1993,1995) Foundation for Computational Thermodynamics,


Stockholm, Sweden
Double precision version linked at 08-17-98 16:31:34
For use at: Pontificia Universidade Catolica
By only: Fernando Rizzo, Roberto R. de Avillez

SYS:go d
THERMODYNAMIC DATABASE module running on PC/WINDOWS NT
Current database: Kaufman binary alloys database

TDB_KP:sw-d
Use one of these databases

KP = Kaufman binary alloys database
PURE = SGTE pure element database
GEO = Saxena geochemical database
G35 = Semiconductor III-V binary database
AQ = TC public aqueous solution database
PSUB = TC public pure substance database
PION = TC public ionic database
BIN97 = TC public binary solution database
BIN = Binary database
TER98 = TC public ternary solution database
SUB94 = TC Banco de dados das substancias
SSOL = TC banco de dados SGTE das substancias
POT = TC banco de dados para diagramas de potenciais
IRSID = IRSID database
ION = Ionic KTH database
CHAT = Chatenary post-transitional binarys
SLAG = Fe slag database
IFACO = Interstitial Free Steel database
COST = Cost507 version 1999 database
FRIB = Fridberg Dilute Fe-alloy Database
BISH = Bishop Dilute Al-alloy Database
MOB2 = TCAB Alloy Mobility Solution Database
OIKA = Oikawa Dilute Fe-alloy Database
USER = User defined Database

DATABASE NAME /KP/: ssol
Current database: TC banco de dados SGTE das substancias

VA DEFINED
B2_BCC L12_FCC AL5FE4:
GAS:G REJECTED
TDB_SSOL:d-e
ELEMENTS:Fe Cr Ni
FE CR NI
DEFINED
TDB_SSOL:rej ph *
LIQUID:L FCC_A1 BCC_A2
HCP_A3 CBCC_A12 CUB_A13
SIGMA CHI_A12 FE4N
AL3NI2 ALNI_B2 CR3SI
CRSI2 REJECTED
TDB_SSOL:res ph fcc bcc liq sigma
FCC_A1 BCC_A2 LIQUID:L
SIGMA RESTORED
TDB_SSOL:get
REINITIATING GES5 .....
ELEMENTS .....
SPECIES ......
PHASES .......
PARAMETERS ...

List of references for assessed data

'Alan Dinsdale, SGTE Data for Pure Elements,
Calphad Vol 15(1991) p 317-425,
also in NPL Report DMA(A)195 Rev. August 1990'
'Alan Dinsdale, SGTE Data for Pure Elements, NPL Report DMA(A)195
September 1989'
'J-O Andersson, B. Sundman, CALPHAD Vol 11, (1987), p 83-92
TRITA 0270 (1986); CR-FE'
'Byeong-Joo Lee, unpublished revision (1991); C-Cr-Fe-Ni'
'Unassessed parameter, linear combination of unary data. (MU, SIGMA)'
'P. Gustafson, Calphad Vol 11 (1987) p 277-292,
TRITA-MAC 320 (1986); CR-NI-W '
'A. Dinsdale, T. Chart, MTDS NPL, unpublished work (1986); FE-NI'
'A. Dinsdale, T. Chart, MTDS NPL, Unpublished work (1986); CR-NI'

The list of references can be obtained in the Gibbs Energy System also
by the command LIST_DATA and option R

BINARY L0 PARAMETERS ARE MISSING
CHECK THE FILE MISSING.PAR FOR COMPLETE INFO
-OK-
TDB_SSOL:go p-3

POLY version 3.30, Feb 1996
POLY_3:s-c t=923 p=101325 n=1 w(Cr)=0.1 w(Ni)=0.2
POLY_3:c-e
Forcing automatic start values
Automatic start values will be set
46 ITS, CPU TIME USED 0 SECONDS
POLY_3:l-e
Output file: /SCREEN/:
Options /VWCS/:
Output from POLY-3, equilibrium number = 1, label A0

Conditions:
T=923, P=101325, N=1, W(CR)=1E-1, W(NI)=2E-1
DEGREES OF FREEDOM 0

Temperature 923.00, Pressure 1.013250E+05
Number of moles of components 1.00000E+00, Mass 5.59747E+01
Total Gibbs energy -4.26682E+04, Enthalpy 2.47585E+04, Volume 5.81258E-06

Component Moles W-Fraction Activity Potential Ref.state

CR 1.0765E-01 1.0000E-01 5.8785E-03 -3.9419E+04 SER
FE 7.0160E-01 7.0000E-01 6.1196E-03 -3.9110E+04 SER
NI 1.9075E-01 2.0000E-01 5.5079E-04 -5.7589E+04 SER

FCC_A1#1 Status ENTERED Driving force 0.0000E+00
Number of moles 1.0000E+00, Mass 5.5975E+01 Mass fractions:
FE 7.00000E-01 NI 2.00000E-01 CR 1.00000E-01
POLY_3:s-a-v
Axis number: /1/:
Condition /NONE/: w(cr)
Min value /0/:
Max value /1/:
Increment /.025/:
POLY_3:s-a-v
Axis number: /2/:
Condition /NONE/: w(Ni)
Min value /0/:
Max value /1/:
Increment /.025/:
POLY_3:map ( si es 2 s-a-v si es 1 es s-a-v es step)
Organizing start points

No initial equilibrium added, trying to fix one

Organizing start points


Phase region boundary for:
FCC_A1
** SIGMA
Iterations, Values
4 1.736E-01 2.000E-01
4 1.722E-01 1.894E-01
4 1.700E-01 1.717E-01
4 1.680E-01 1.540E-01
4 1.661E-01 1.362E-01
4 1.644E-01 1.185E-01
3 1.636E-01 1.102E-01

Phase region boundary for:
BCC_A2
FCC_A1
** SIGMA
Iterations, Values
3 1.636E-01 1.102E-01

Phase region boundary for:
** BCC_A2
SIGMA
Iterations, Values
2 4.263E-01 3.775E-02
2: Changing entered phase to BCC_A2#1
2 2.193E-01 4.078E-02
4 2.222E-01 3.015E-02
5 2.293E-01 1.244E-02
18 2.369E-01 2.500E-07
Outside limit for axis 2

Phase region boundary for:
** BCC_A2
FCC_A1
Iterations, Values
18 1.636E-01 1.102E-01
2: Changing entered phase to BCC_A2#1
2 2.193E-01 4.078E-02
4 2.087E-01 4.007E-02
4 1.910E-01 3.889E-02
4 1.733E-01 3.776E-02
4 1.555E-01 3.672E-02
4 1.378E-01 3.584E-02
4 1.201E-01 3.515E-02
4 1.024E-01 3.470E-02
4 8.471E-02 3.451E-02
4 6.699E-02 3.460E-02
4 4.928E-02 3.500E-02
4 3.157E-02 3.572E-02
5 1.386E-02 3.678E-02
2: Changing entered phase to FCC_A1#1
2 1.769E-02 1.236E-01
5 6.420E-03 1.291E-01
17 2.500E-07 1.323E-01
Outside limit for axis 1

Phase region boundary for:
FCC_A1
** SIGMA
Iterations, Values
17 1.736E-01 2.000E-01
4 1.751E-01 2.106E-01
4 1.778E-01 2.283E-01
4 1.808E-01 2.460E-01
6 1.840E-01 2.638E-01
9 1.876E-01 2.815E-01
9 1.916E-01 2.992E-01
6 1.960E-01 3.169E-01
4 2.008E-01 3.346E-01
3 2.059E-01 3.517E-01

Phase region boundary for:
BCC_A2
FCC_A1
** SIGMA
Iterations, Values
3 2.059E-01 3.517E-01

Phase region boundary for:
** BCC_A2
SIGMA
Iterations, Values
2 5.109E-01 9.925E-02
2 5.109E-01 9.925E-02
4 5.083E-01 8.862E-02
4 5.042E-01 7.091E-02
4 5.004E-01 5.320E-02
5 4.966E-01 3.549E-02
5 4.930E-01 1.778E-02
2: Changing entered phase to BCC_A2#1
2 7.452E-01 1.809E-03
6 7.275E-01 5.550E-04
4 7.257E-01 4.264E-04
4 7.222E-01 1.675E-04
3 7.219E-01 1.467E-04
4 7.205E-01 4.239E-05
3 7.204E-01 3.904E-05
2 7.204E-01 3.891E-05
3 7.203E-01 3.055E-05
4 7.201E-01 1.383E-05
2 7.201E-01 1.374E-05
3 7.200E-01 7.051E-06
*** Sorry cannot continue *** 4


Phase region boundary for:
** BCC_A2
FCC_A1
Iterations, Values
24 2.059E-01 3.517E-01
2 2.059E-01 3.517E-01
3 2.070E-01 3.623E-01
4 2.089E-01 3.801E-01
4 2.111E-01 3.978E-01
4 2.135E-01 4.155E-01
4 2.162E-01 4.332E-01
4 2.193E-01 4.509E-01
4 2.227E-01 4.686E-01
4 2.264E-01 4.863E-01
4 2.305E-01 5.040E-01
4 2.350E-01 5.217E-01
4 2.399E-01 5.395E-01
4 2.452E-01 5.572E-01
4 2.511E-01 5.747E-01
4 2.570E-01 5.912E-01
4 2.630E-01 6.066E-01
4 2.689E-01 6.209E-01
4 2.748E-01 6.341E-01
4 2.805E-01 6.462E-01
4 2.861E-01 6.573E-01
4 2.915E-01 6.675E-01
4 2.970E-01 6.775E-01
5 3.029E-01 6.875E-01
4 3.035E-01 6.885E-01
4 3.047E-01 6.905E-01
3 3.048E-01 6.907E-01
4 3.052E-01 6.915E-01
5 3.062E-01 6.931E-01
3 3.063E-01 6.932E-01
*** Sorry cannot continue *** 4

*** Buffer saved on file:
RESULT.PL3


POLY_3:post

POLY-3 POSTPROCESSOR VERSION 3.2 , last update 1996-12-12


Setting automatic diagram axis

POST:s-d-a
AXIS (X, Y OR Z) :x
VARIABLE :w-f
FOR COMPONENT :Ni
POST:s-d-a
AXIS (X, Y OR Z) :y
VARIABLE :w-f
FOR COMPONENT :cr
POST:s-d-ty
TRIANGULAR DIAGRAM (Y OR N) /N/: y
PLOT 3:RD AXIS (Y OR N) /Y/: y
CLIP ALONG 3:RD AXIS (Y OR N) /Y/: n
POST:plot
PLOTFILE : /SCREEN/:
POST:?
ADD_LABEL_TEXT REINITIATE_PLOT_SETTINGS SET_PLOT_FORMAT
APPEND_EXPERIMENTAL_DATA RESTORE_PHASE_IN_PLOT SET_PLOT_OPTIONS
BACK SET_AXIS_LENGTH SET_PLOT_SIZE
ENTER_SYMBOL SET_AXIS_PLOT_STATUS SET_PREFIX_SCALING
EXIT SET_AXIS_TEXT_STATUS SET_RASTER_STATUS
HELP SET_AXIS_TYPE SET_REFERENCE_STATE
LIST_PLOT_SETTINGS SET_COLOR SET_SCALING_STATUS
LIST_SYMBOLS SET_CORNER_TEXT SET_TIC_TYPE
MAKE_EXPERIMENTAL_DATAFI SET_DIAGRAM_AXIS SET_TIELINE_STATUS
MODIFY_LABEL_TEXT SET_DIAGRAM_TYPE SET_TITLE
PATCH_WORKSPACE SET_FONT SET_TRUE_MANUAL_SCALIN
PLOT_DIAGRAM SET_INTERACTIVE_MODE SUSPEND_PHASE_IN_PLOT
QUICK_EXPERIMENTAL_PLOT SET_LABEL_CURVE_OPTION TABULATE
POST:s-t-s
PLOTTING EVERY TIE-LINE NO /0/: 4
POST:plot
PLOTFILE : /SCREEN/:
POST:add 0.4,0.5
Automatic phase labels? /Y/:
Automatic labelling not always possible
Stable phases are: BCC_A2+FCC_A1
Text size: /.34/:
POST: