MACRO PARA UNA ISOTERMA DE UN DIAGRAMA TERNARIO

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 REJECTEDTDB_SSOL: d-eELEMENTS: Fe Cr Ni FE CR NI DEFINEDTDB_SSOL: rej ph * LIQUID:L FCC_A1 BCC_A2 HCP_A3 CBCC_A12 CUB_A13 SIGMA CHI_A12 FE4N AL3NI2 ALNI_B2 CR3SI CRSI2 REJECTEDTDB_SSOL: res ph fcc bcc liq sigma FCC_A1 BCC_A2 LIQUID:L SIGMA RESTOREDTDB_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September 1989' 'J-O Andersson, B. Sundman, CALPHAD Vol 11, (1987), p 83-92 TRITA 0270 (1986); CR-FE' 'Byeong-Joo Lee, unpublished revision (1991); C-Cr-Fe-Ni' 'Unassessed parameter, linear combination of unary data.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'P. Gustafson, Calphad Vol 11 (1987) p 277-292, TRITA-MAC 320 (1986); CR-NI-W ' 'A. Dinsdale, T. Chart, MTDS NPL, unpublished work (1986); FE-NI' 'A. Dinsdale, T. Chart, MTDS NPL, Unpublished work (1986); CR-NI'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 1996POLY_3: s-c t=923 p=101325 n=1 w(Cr)=0.1 w(Ni)=0.2POLY_3: c-e Forcing automatic start values Automatic start values will be set 46 ITS, CPU TIME USED 0 SECONDSPOLY_3:l-eOutput 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-01POLY_3: s-a-vAxis number: /1/:Condition /NONE/: w(Cr)Min value /0/:Max value /1/:Increment /.025/:POLY_3:s-a-vAxis number: /2/:Condition /NONE/: w(Ni)Min value /0/:Max value /1/:Increment /.025/:POLY_3: map

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*** 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-aAXIS (X, Y OR Z) : xVARIABLE : w-fFOR COMPONENT : NiPOST: s-d-aAXIS (X, Y OR Z) : yVARIABLE : w-fFOR COMPONENT : CrPOST: s-d-tyTRIANGULAR DIAGRAM (Y OR N) /N/: yPLOT 3:RD AXIS (Y OR N) /Y/: yCLIP ALONG 3:RD AXIS (Y OR N) /Y/: nPOST: plotPLOTFILE : /SCREEN/:POST:

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