thermo

Thermo-Calc 3.0.1 (build 6101) on WinNT 64-bit wordlength Compiler: Intel(R) Visual Fortran Composer Version 12.1.3.300 Build 20120130 License library version: 8.5.1.0017 Linked: Thu Aug 22 14:27:05 2013 Copyright (1993,2008) Foundation for Computational Thermodynamics, Stockholm, Sweden 27 days more to enjoy this software

Demo version For a full version please contact: [email protected]

SYS:go bin THERMODYNAMIC DATABASE module Current database: Aluminum demo database VA /- DEFINED

Simple binary phase diagram calculation module

Database: /TCBIN/: Current database: TC Binary Solutions Database v1.1 VA /- DEFINED BCC_B2 FCC_L12 FCC_L102 D021_HCP REJECTEDFirst element:CuSecond element:OPhase Diagram, Phase fraction (F), G- or A-curves (G/A): /Phase_Diagram/: VA /- DEFINED BCC_B2 FCC_L12 FCC_L102 D021_HCP REJECTED REINITIATING GES5 ..... CU O DEFINED GAS:G LIQUID:L IONIC_LIQUID:Y FCC_A1 BCC_A2 A2_BCC HCP_A3 HCP_ZN BCT_A5 CBCC_A12 CUB_A13 B11_CUTI B1_HALITE:I C15_LAVES C3_CU2O D03_CU3SN D1A_CU4TI D81_ALCU ALCU_EPSILON ALCU_ETA CU6Y CUO TIO_X:I REJECTED GAS:G RESTORED IONIC_LIQUID:Y RESTORED FCC_A1 RESTORED

C3_CU2O RESTORED CUO RESTORED ELEMENTS ..... SPECIES ...... PHASES ....... PARAMETERS ... FUNCTIONS ....

List of references for assessed data

'I Ansara, SGTE substance database 1994' 'B Hallstedt, D Risold, L J Gauckler, J Phase Equilibria 15(1994)5 p 483 -499; Cu-O' 'I Ansara, SGTE substance database 2000' 'B. Hallstedt, L.J. Gauckler, Calphad, 27, 177-91; Cu-O' 'A T Dinsdale, SGTE Data for Pure Elements, Calphad 15(1991)4 p 317-425; ' 'B Sundman, added PARAM in IONIC_LIQ (2004); Cu-O' 'D Risold, B Hallstedt, L J Gauckler, H L Lukas, S G Fries, J Phase Equil 16(1995)3 p 223-234; Bi-O' 'B Hallstedt, J. Phase Eq, 14 (1993), pp. 662-675 (Al-Ca-Mg-Si-O)' -OK- The condition X(O)=.1234 created The condition T=1083.53 created Forcing automatic start values Automatic start values will be set Start points provided by database Version S mapping is selected

Organizing start points

Using ADDED start equilibria

Generating start point 1 Generating start point 2

Phase region boundary 1 at: 2.067E-01 1.540E+03 IONIC_LIQUID#1 ** IONIC_LIQUID#2 Calculated. 3 equilibria

Phase region boundary 2 at: 2.071E-01 1.497E+03 IONIC_LIQUID#1 ** IONIC_LIQUID#2 ** C3_CU2O

Phase region boundary 3 at: 2.138E-01 1.497E+03 IONIC_LIQUID#1 ** C3_CU2O Calculated. 8 equilibria

Phase region boundary 4 at: 1.753E-01 1.339E+03 IONIC_LIQUID#1 ** C3_CU2O ** FCC_A1

Phase region boundary 5 at: 8.747E-03 1.339E+03 IONIC_LIQUID#1 ** FCC_A1 Calculated 20 equilibria

Phase region boundary 6 at: 1.668E-01 1.339E+03 C3_CU2O ** FCC_A1 Calculated.. 43 equilibria Terminating at axis limit.

Phase region boundary 7 at: 3.208E-01 1.497E+03 IONIC_LIQUID#2 ** C3_CU2O Calculated. 12 equilibria

Phase region boundary 8 at: 3.608E-01 1.353E+03 IONIC_LIQUID#2 ** C3_CU2O ** CUO

Phase region boundary 9 at: 4.441E-01 1.353E+03 IONIC_LIQUID#2 ** CUO Calculated. 2 equilibria

Phase region boundary 10 at: 4.461E-01 1.374E+03 ** GAS IONIC_LIQUID#2 ** CUO

Phase region boundary 11 at: 6.961E-01 1.374E+03 ** GAS

IONIC_LIQUID#2 Calculated.. 27 equilibria Terminating at axis limit.

Phase region boundary 12 at: 7.500E-01 1.374E+03 ** GAS CUO Calculated.. 44 equilibria Terminating at axis limit.

Phase region boundary 13 at: 4.167E-01 1.353E+03 C3_CU2O ** CUO Calculated.. 44 equilibria Terminating at axis limit.

Phase region boundary 14 at: 2.012E-01 1.497E+03 IONIC_LIQUID#1 ** IONIC_LIQUID#2 Calculated 51 equilibria

Phase region boundary 15 at: 2.067E-01 1.540E+03 IONIC_LIQUID#1 ** IONIC_LIQUID#2 Calculated 80 equilibria *** BUFFER SAVED ON FILE: C:\Users\Noboru\Documents\BINARY_003.POLY3 CPU time for mapping 2 seconds POSTPROCESSOR VERSION 3.2

Setting automatic diagram axes

POSTPROCESSOR VERSION 3.2

Setting automatic diagram axes

POST:s-d-aAXIS (X, Y OR Z) :XVARIABLE :w-pFOR COMPONENT :OPOST:s-s-s

AXIS (X, Y OR Z) :xAUTOMATIC SCALING (Y OR N) /N/:MIN VALUE :0MAX VALUE :1POST:s-s-sAXIS (X, Y OR Z) :yAUTOMATIC SCALING (Y OR N) /N/:MIN VALUE :1040MAX VALUE :1200POST:plotPOST:

Para el 0.45% de O a temperatura 1060°C se da el eutéctico

Tendremos el cobre liquido y oxidos de cobre (escorias) sólidas a partir de los 1060°C a partir de concentraciones de 0.45 en % O

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 Cu S FE CU S DEFINEDTDB_SSOL:get REINITIATING GES5 ..... ELEMENTS ..... SPECIES ...... PHASES ....... PARAMETERS ...


'Alan Dinsdale, SGTE Data for Pure Elements, Calphad Vol 15(1991) p 317-425, also in NPL Report DMA(A)195 Rev. August 1990' 'N. Saunders, unpublished research, COST-507, (1991); Al-Cu' 'M. Kowalski, RWTH, unpublished work (1990); Cu-Zn' 'H. Du and M. Hillert, revision; C-Fe-N' 'A. Jansson, Report D 73, Metallografi, KTH, (1986); CU-FE' 'Unassessed parameter, inserted to make this phase less stable.' 'Alan Dinsdale, SGTE Data for Pure Elements, NPL Report DMA(A)195 September 1989'

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

UNARY G0 PARAMETERS ARE MISSING 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=1000 p=101325 n=1 w(fe)=0.1 w(Cu)=0.2POLY_3:c-e Forcing automatic start values Automatic start values will be set

38 ITS, CPU TIME USED 0 SECONDS

POLY_3:l-eOutput file: /SCREEN/:Options /VWCS/: Output from POLY-3, equilibrium number = 1, label A0

Conditions: T=1000, P=101325, N=1, W(FE)=1E-1, W(CU)=2E-1 DEGREES OF FREEDOM 0

Temperature 1000.00, Pressure 1.013250E+05 Number of moles of components 1.00000E+00, Mass 3.73582E+01 Total Gibbs energy -5.42289E+04, Enthalpy 2.72807E+04, Volume 4.84580E-07

Component Moles W-Fraction Activity Potential Ref.state

CU 1.1758E-01 2.0000E-01 8.6188E-04 -5.8671E+04 SER FE 6.6894E-02 1.0000E-01 1.3794E-03 -5.4760E+04 SER S 8.1553E-01 7.0000E-01 1.5965E-03 -5.3545E+04 SER

LIQUID#1 Status ENTERED Driving force 0.0000E+00 Number of moles 1.0000E+00, Mass 3.7358E+01 Mass fractions: S 7.00000E-01 CU 2.00000E-01 FE 1.00000E-01POLY_3:s-a-vAxis number: /1/:Condition /NONE/: w(Fe) 0 1 0.25POLY_3:s-a-vAxis number: /2/:Condition /NONE/: w(Cu) 0 1 0.25POLY_3:

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 Cu S FE CU S DEFINEDTDB_SSOL:get REINITIATING GES5 ..... ELEMENTS ..... SPECIES ...... PHASES ....... PARAMETERS ...


'Alan Dinsdale, SGTE Data for Pure Elements, Calphad Vol 15(1991) p 317-425, also in NPL Report DMA(A)195 Rev. August 1990' 'N. Saunders, unpublished research, COST-507, (1991); Al-Cu' 'M. Kowalski, RWTH, unpublished work (1990); Cu-Zn' 'H. Du and M. Hillert, revision; C-Fe-N' 'A. Jansson, Report D 73, Metallografi, KTH, (1986); CU-FE' 'Unassessed parameter, inserted to make this phase less stable.' 'Alan Dinsdale, SGTE Data for Pure Elements, NPL Report DMA(A)195 September 1989'

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

UNARY G0 PARAMETERS ARE MISSING 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=1000 p=101325 n=1 w(fe)=0.1 w(Cu)=0.2POLY_3:c-e Forcing automatic start values Automatic start values will be set

38 ITS, CPU TIME USED 0 SECONDSPOLY_3:l-eOutput file: /SCREEN/:Options /VWCS/: Output from POLY-3, equilibrium number = 1, label A0

Conditions: T=1000, P=101325, N=1, W(FE)=1E-1, W(CU)=2E-1 DEGREES OF FREEDOM 0

Temperature 1000.00, Pressure 1.013250E+05 Number of moles of components 1.00000E+00, Mass 3.73582E+01 Total Gibbs energy -5.42289E+04, Enthalpy 2.72807E+04, Volume 4.84580E-07

Component Moles W-Fraction Activity Potential Ref.state

CU 1.1758E-01 2.0000E-01 8.6188E-04 -5.8671E+04 SER FE 6.6894E-02 1.0000E-01 1.3794E-03 -5.4760E+04 SER S 8.1553E-01 7.0000E-01 1.5965E-03 -5.3545E+04 SER

LIQUID#1 Status ENTERED Driving force 0.0000E+00 Number of moles 1.0000E+00, Mass 3.7358E+01 Mass fractions: S 7.00000E-01 CU 2.00000E-01 FE 1.00000E-01POLY_3:s-a-vAxis number: /1/:Condition /NONE/: w(Fe) 0 1 0.25POLY_3:s-a-vAxis number: /2/:Condition /NONE/: w(Cu) 0 1 0.25POLY_3:map

*** ERROR 30 IN MLOPEN *** OPEN FAILUREPOLY_3:? ADD_INITIAL_EQUILIBRIUM HELP SAVE_WORKSPACES AMEND_STORED_EQUILIBRIA INFORMATION SELECT_EQUILIBRIUM BACK LIST_AXIS_VARIABLE SET_ALL_START_VALUES CHANGE_STATUS LIST_CONDITIONS SET_AXIS_VARIABLE COMPUTE_EQUILIBRIUM LIST_EQUILIBRIUM SET_CONDITION CREATE_NEW_EQUILIBRIUM LIST_INITIAL_EQUILIBRIA SET_INPUT_AMOUNTS DEFINE_COMPONENTS LIST_STATUS SET_INTERACTIVE DEFINE_DIAGRAM LIST_SYMBOLS SET_NUMERICAL_LIMITS DEFINE_MATERIAL LOAD_INITIAL_EQUILIBRIUM SET_REFERENCE_STATE DELETE_INITIAL_EQUILIB MACRO_FILE_OPEN SET_START_CONSTITUTION DELETE_SYMBOL MAP SET_START_VALUE ENTER_SYMBOL POST SHOW_VALUE EVALUATE_FUNCTIONS READ_WORKSPACES SPECIAL_OPTIONS EXIT RECOVER_START_VALUES STEP_WITH_OPTIONS GOTO_MODULE REINITIATE_MODULE TABULATEPOLY_3:Map


No initial equilibrium added, trying to fix one


Phase region boundary for:

LIQUID ** BCC_A2 Iterations, Values 10 3.999E-01 2.000E-01 4 4.594E-01 1.400E-01 6 5.631E-01 4.000E-02 4 5.737E-01 3.000E-02 Outside limit for axis 2

Phase region boundary for: LIQUID ** BCC_A2 Iterations, Values 4 3.999E-01 2.000E-01 4 3.431E-01 2.600E-01 4 2.559E-01 3.600E-01 4 1.799E-01 4.600E-01 4 1.171E-01 5.600E-01 5 6.890E-02 6.600E-01 4 3.862E-02 7.488E-01

Phase region boundary for: LIQUID ** BCC_A2 CUZN_EPS Iterations, Values 4 3.862E-02 7.488E-01

Phase region boundary for: ** BCC_A2 CUZN_EPS Iterations, Values 1 0.000E+00 1.000E+00 1: Changing entered phase to BCC_A2#1 Trying to find an adjacent invariant equilibrium Cannot find another stable phase Attempt to extrapolate activity 7 0.000E+00 1.000E+00

Phase region boundary for: LIQUID ** CUZN_EPS Iterations, Values 7 3.862E-02 7.488E-01

2 3.861E-02 7.488E-01 4 3.567E-02 7.524E-01 5 2.577E-02 7.644E-01 9 5.383E-03 7.884E-01 10 3.378E-03 7.908E-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-aAXIS (X, Y OR Z) :xVARIABLE :w-fFOR COMPONENT :FePOST:s-d-aAXIS (X, Y OR Z) :yVARIABLE :w-fFOR COMPONENT :CuPOST: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:

POST:s-d-aAXIS (X, Y OR Z) :xVARIABLE :w-fFOR COMPONENT :FePOST:s-d-aAXIS (X, Y OR Z) :yVARIABLE :w-fFOR COMPONENT :CuPOST: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:addGive X coordinate in axis units:0.4Give Y coordinate in axis units:0.4Automatic phase labels? /Y/: Automatic labelling not always possible Stable phases are: LIQUID+BCC_A2Text size: /.34/: addPOST:addGive X coordinate in axis units:0.8Give Y coordinate in axis units:0.1Automatic phase labels? /Y/: Automatic labelling not always possible Stable phases are: LIQUID+BCC_A2Text size: /.34/: liquid+bcc-A2

LIQUIDFase Bc _A2

:LIQUID+BCC_A2

2 fases

POST:addGive X coordinate in axis units:0.9Give Y coordinate in axis units:0.9Automatic phase labels? /Y/: