Thermo-Calc / DICTRA Only for use at 10120 Local contact Ruhr-Universitat Bochum, Inst. fur Werkstoffe Lehrstuhl Werkstofftechnik M.Sc. Janis Kimm Lic-100230-NWL 99 SYS:go data THERMODYNAMIC DATABASE module Database folder: C:\Program Files\Thermo-Calc\2024a\data Current database: Steels/Fe-Alloys v10.1 VA /- DEFINED DICTRA_FCC_A1 REJECTED TDB_TCFE10:def_el fe c cr v mo FE C CR V MO DEFINED TDB_TCFE10:get 16:08:23,746 [Thread-0] INFO JavaWrapper: *** Invoking Gibbs Energy System v6 *** REINITIATING GES ..... ELEMENTS ..... SPECIES ...... PHASES ....... Creating a new composition set FCC_A1#2 Creating a new composition set HCP_A3#2 Suspending M2O3C_D53 as it has net charge PARAMETERS ... FUNCTIONS .... List of references for assessed data 'A.T. Dinsdale, SGTE Data for Pure Elements, CALPHAD, 15 (1991) 317-425' 'B. Uhrenius, Int. J. Refract. Met. Hard Mater. 12 (1994) 121-127; Molar volumes' 'X.G. Lu, Thermo-Calc Software AB, Sweden, 2006; Molar volumes' 'A. Markstrom, Swerea KIMAB, Sweden; Molar volumes' 'X.G. Lu, M. Selleby and B. Sundman, CALPHAD, 29, 2005, 68-89; Molar volumes' 'B. Sundman et al., Report EUR 20315, Contract No 7210-PR/050, 2002; New Sigma model' 'P. Gustafson, TRITA-MAC 354 (1987); C-Cr-Fe-Mo-W' 'N. Saunders, COST 507 Report (1998); Cr-Ti' 'B.J. Lee, KRISS, unpublished research, during 1993-1995' 'R. Naraghi, Thermo-Calc Software AB, Sweden, Volume data updated for TCFE9 database (TCFE v9.0, Jan, 2017).' 'L.F.S. Dumitrescu, M. Hillert and N. Saunders, J. Phase Equilib., 19 (1998) 441-448; Fe-Ti' 'J-O. Andersson, CALPHAD, 12 (1988) 9-23; TRITA 0321 (1986); C-FE-MO' 'Unassessed parameter; Linear combination of unary data' 'J. Bratberg and B. Sundman, J. Phase Equilib., 24, No. 6, 2003, 495-503; Co-V' 'J. Bratberg and Karin Frisk, CALPHAD, 26, No. 3, 459-476, 2002; Mo-V-C' 'R. Naraghi, Thermo-Calc Software AB, Sweden, 2015; C14_LAVES' 'M. Seiersten, Unpublished work (1989); Al-Fe' 'A.V. Khvan, B. Hallstedt, K. Chang, CALPHAD, 39, 54-61(2012); C-Cr-Nb' 'J-O. Andersson, CALPHAD, 11 (1987) 271-276; TRITA 0314; C-CR' 'J. Bratberg, Z. Metallkd., 96 (2005) 335-344; Fe-Cr-Mo-C' 'B.J. Lee, CALPHAD, 16 (1992) 121-149; C-Cr-Fe-Ni' 'C. Qui, ISIJ International, 32 (1992), 1117-1127; Trita-MAC 482 (1992) Revision; C-Cr-Fe-Mo' 'P. Gustafson, Metall. Trans. A, 19A (1988) 2547-2554; TRITA-MAC 348, (1987); C-CR-FE-W' 'P. Villars, L.D. Calvert. Pearsons handbook of crystallographic data for intermetallic phases, Metals park, Ohio 1985: American society for metals' 'B.J. Lee, Metall. Trans. A, 24A (1993) 1017-1025; Fe-Cr-Mn-C' 'P. Gustafson, Scan. J. Metall., 14 (1985) 259-267; TRITA 0237 (1984); C-FE' 'P. Franke, estimated parameter within SGTE, 2007; Fe-C, Ni-C, Mo-C, C-Mn' 'B. Hallstedt, D. Djurovic, J. von Appen, R. Dronskowski, A. Dick, F. Koermann, T. Hickel, J. Neugebauer, CALPHAD, 34, 129-33(2010); Fe-C' 'D. Djurovic, B. Hallstedt, J. von Appen, R. Dronskowski, Calphad 35.4 (2011) 479-491; Fe-Mn-C' 'H. Du and M. Hillert, TRITA-MAC 435 (1990); C-Fe-N' 'W. Huang, Metall. Trans. A, 21A (1990) 2115-2123; TRITA-MAC 411 (Rev 1989); C-FE-MN' 'J.H. Shim, C.S. Oh, D.N. Lee, Metall. Mater. Trans. B. 27 (1996) 955-966; Ti-Mo-C' 'R. Naraghi, Thermo-Calc Software AB, Volume data updated for TCFE9 database (TCFE v9.1, June, 2019).' 'W. Huang, TRITA-MAC 432 (1990); C-Fe-V' 'A.F. Guillermet and W. Huang, TRITA-MAC 440 (1990); Mn-V-C' 'A.F. Guillermet and G. Grimvall,J. Phys. Chem. Solids, 1992, 53, 105-125; Molar volumes' 'B.J. Lee, TRITA-MAC 475 (1991); C-Cr-Fe-V' 'A.F. Guillermet, Z Metallkde 82(1991)6 p 478-487; Nb-Zr' 'N. Dupin, Private communication; Introduction of V' 'B.J. Lee, CALPHAD, 17 (1993) 251-268; revision of Fe-Cr and Fe-Ni liquid' 'J-O. Andersson and B. Sundman, CALPHAD, 11 (1987) 83-92; TRITA 0270 (1986); CR-FE' 'K. Frisk, Metall. Trans. A, 21A (1990) 2477-2488; TRITA 0409 (1989); CR -FE-N' 'J-O. Andersson, Metall. Trans. A, 19A (1988) 1385-1394; TRITA 0322 (1986); CR-FE-MO' 'B.J. Lee, unpublished work at KTH (1999); update of steel database' 'R. Naraghi, Thermo-Calc Software AB, Sweden, 2019; Cr-Fe-Nb' 'R. Naraghi, Thermo-Calc Software AB, Sweden, 2014; Cr-Fe-Zn' 'R. Naraghi, Thermo-Calc Software AB, Sweden, Volume data updated for TCFE8 database (TCFE v8, May, 2015).' 'K. Frisk, KTH Report D 60 (1984); CR-MO' 'B. Sundman, Private communication; FCC parameter same as BCC; Cr-Mo' 'J-O. Andersson, TRITA-MAC 323 (1986); C-CR-FE-MO' 'K. Frisk, TRITA-MAC 429 (1990); CR-MO-NI' 'J. Bratberg, Thermo-Calc Software AB, Sweden, 2009; Z_PHASE' 'Thermo-Calc Software, Sweden, 2008: Volume data updated for $TCFE6 database (TCFE v6, April, 2008).' 'L. Kjellqvist, Thermo-Calc Software AB, Sweden, 2013; Reassessed solubility of Al, Cr, Fe, Ni in Mn2O3. When Mn2O3 is modelled as the same phase as cubic Y2O3 (M2O3C).' 'L. Kjellqvist, Thermo-Calc Software AB, Sweden, 2012; Molar volumes' 'B.J. Lee, TRITA-MAC 474 (1991); Cr-Fe-V' 'H.K. Danielsen and J. Hald, CALPHAD, 31 (2007) 505-514; Z-PHASE' 'A.F. Guillermet, CALPHAD, 6 (1982) 127-140; (sigma phase revised 1986); TRITA-MAC 200 (1982); FE-MO' 'K. Frisk, TRITA-MAC 428 (1990); FE-MO-NI' 'J-O. Andersson, CALPHAD, 7 (1983) 305-315 (Parameters revised 1986 due to new decription of V) TRITA 0201 (1982); FE-V' 'A.V. Khvan, K. Chang, B. Hallstedt, CALPHAD, 43, 143-48(2013); Fe-Nb-V' 'W. Huang, TRITA-MAC 439 (1990) also in W. Huang, CALPHAD, 15, 195 -208(1991); Mn-V, Fe-Mn-V' 'A.V. Khvan, B. Hallstedt, C. Broeckmann, CALPHAD, 46, 24-33(2014); Cr-Fe-C' 'J-O. Andersson, Metall. Trans. A, 19A (1988) 627-636 TRITA 0207 (1986); C -CR-FE' 'R. Naraghi, Thermo-Calc Software AB, Sweden, 2016; FCC Fe-Cr-C and C-Cr-Ni' 'J. Bratberg, Thermo-Calc Software AB, Sweden, 2008; Fe-Cr-Mo-V-W-C' 'J. Bratberg, Thermo-Calc Software AB, Sweden, 2009; Carbonitrides and M23C6' 'J. Bratberg, Thermo-Calc Software AB, Sweden, 2008; Fe-Cr-V-C' 'S. Nagakura, Transactions of the Iron and Steel Institute of Japan, 8 (1968) 265-294; Molar volumes' 'I.K. Kupalova, V.I. Pavlova, High Speed Steels: Physical Properties, Prop. Data Updat. 2 (1988) 67-78; Molar volumes' 'B. Sundman, estimated parameter (2000); Cr-Ni-Mo' 'B.J. Lee, Private communication, (2000); Estimated parameter' 'R. Naraghi, Thermo-Calc Software AB, Sweden (2015); FROST project' 'R. Naraghi, Thermo-Calc Software AB, Sweden, 2016; C-Cr-Fe-V' 'P. Gustafson, Inst. Met. Res. (Sweden) (1990); Estimations of C-CR-FE-V, C-CR-FE-MO-V-W, FE-N-W, FE-MN-N, FE-N-SI, CR-N-V, C-CR-N, FE-MO-N, CR -N-W, CR-TI-N' 'M. Ghasemi, Thermo-Calc Software AB, Sweden, 2019' 'M. J. Assael, J. Phys. Chem. Ref. Data 35 (2006) 285; Fe, Al' 'J. T. Okada, J. Chem. Thermodynamics 42 (2010) 856; V' -OK- TDB_TCFE10:go poly POLY version 3.32 POLY:s-c n=1 p=1e5 T=1573 POLY:s-c w(c)=0.022 w(cr)=0.13 w(v)=0.04 w(mo)=0.01 POLY:l-c N=1, P=100000, T=1573, W(C)=2.2E-2, W(CR)=0.13, W(V)=4E-2, W(MO)=1E-2 DEGREES OF FREEDOM 0 POLY:c-e Using global minimization procedure Calculated 39088 grid points in 8 s Found the set of lowest grid points in 0 s Calculated POLY solution 2 s, total time 10 s POLY:l-e OUTPUT TO SCREEN OR FILE /SCREEN/: Options /VWCS/: Output from POLY-3, equilibrium = 1, label A0 , database: TCFE10 Conditions: N=1, P=100000, T=1573, W(C)=2.2E-2, W(CR)=0.13, W(V)=4E-2, W(MO)=1E-2 DEGREES OF FREEDOM 0 Temperature 1573.00 K ( 1299.85 C), Pressure 1.000000E+05 Number of moles of components 1.00000E+00, Mass in grams 5.12549E+01 Total Gibbs energy -9.09998E+04, Enthalpy 5.37324E+04, Volume 7.40270E-06 Component Moles W-Fraction Activity Potential Ref.stat C 9.3881E-02 2.2000E-02 7.7766E-03 -6.3519E+04 SER CR 1.2815E-01 1.3000E-01 4.3966E-04 -1.0109E+05 SER FE 7.3238E-01 7.9800E-01 1.1264E-03 -8.8788E+04 SER MO 5.3424E-03 1.0000E-02 2.4749E-05 -1.3872E+05 SER V 4.0246E-02 4.0000E-02 6.1721E-06 -1.5689E+05 SER LIQUID Status ENTERED Driving force 0.0000E+00 Moles 6.8210E-01, Mass 3.4078E+01, Volume fraction 6.8322E-01 Mass fractions: FE 7.54219E-01 CR 1.50721E-01 V 5.37097E-02 C 2.92011E-02 MO 1.21495E-02 FCC_A1#1 Status ENTERED Driving force 0.0000E+00 Moles 3.1790E-01, Mass 1.7177E+01, Volume fraction 3.1678E-01 Mass fractions: FE 8.84858E-01 CR 8.88918E-02 V 1.28008E-02 C 7.71341E-03 MO 5.73559E-03 POLY:change For phases, species or components? /PHASES/: Phase name(s):liq Status: /ENTERED/:fixed Number of mole formula units /0/: POLY:s-c T=none POLY:c-e Normal POLY minimization, not global Testing POLY result by global minimization procedure Calculated 39088 grid points in 0 s 37 ITS, CPU TIME USED 1 SECONDS POLY:l-e OUTPUT TO SCREEN OR FILE /SCREEN/: Options /VWCS/: Output from POLY-3, equilibrium = 1, label A0 , database: TCFE10 Conditions: N=1, P=100000, W(C)=2.2E-2, W(CR)=0.13, W(V)=4E-2, W(MO)=1E-2 FIXED PHASES LIQUID=0 DEGREES OF FREEDOM 0 Temperature 1499.82 K ( 1226.67 C), Pressure 1.000000E+05 Number of moles of components 1.00000E+00, Mass in grams 5.12549E+01 Total Gibbs energy -8.44384E+04, Enthalpy 4.15109E+04, Volume 7.08934E-06 Component Moles W-Fraction Activity Potential Ref.stat C 9.3881E-02 2.2000E-02 1.1445E-02 -5.5744E+04 SER CR 1.2815E-01 1.3000E-01 4.3966E-04 -9.6389E+04 SER FE 7.3238E-01 7.9800E-01 1.3493E-03 -8.2406E+04 SER MO 5.3424E-03 1.0000E-02 4.8499E-05 -1.2388E+05 SER V 4.0246E-02 4.0000E-02 8.8648E-06 -1.4507E+05 SER FCC_A1#1 Status ENTERED Driving force 0.0000E+00 Moles 7.9813E-01, Mass 4.2974E+01, Volume fraction 8.2579E-01 Mass fractions: FE 8.86218E-01 CR 7.69008E-02 V 1.87067E-02 C 9.16984E-03 MO 9.00471E-03 M7C3_D101 Status ENTERED Driving force 0.0000E+00 Moles 1.9841E-01, Mass 8.1608E+00, Volume fraction 1.7118E-01 Mass fractions: CR 4.10292E-01 FE 3.44715E-01 V 1.42833E-01 C 8.76061E-02 MO 1.45537E-02 FCC_A1#2 Status ENTERED Driving force 0.0000E+00 Moles 3.4586E-03, Mass 1.1959E-01, Volume fraction 3.0344E-03 Mass fractions: V 6.74369E-01 C 1.55546E-01 CR 8.40636E-02 MO 5.69105E-02 FE 2.91114E-02 LIQUID Status FIXED Driving force 0.0000E+00 Moles 0.0000E+00, Mass 0.0000E+00, Volume fraction 0.0000E+00 Mass fractions: FE 7.10702E-01 CR 1.46642E-01 V 8.83009E-02 C 3.70925E-02 MO 1.72627E-02 POLY:change For phases, species or components? /PHASES/: Phase name(s):liq Status: /ENTERED/:fixed Number of mole formula units /0/:1 POLY:c-e Normal POLY minimization, not global Testing POLY result by global minimization procedure Calculated 39088 grid points in 0 s 34 ITS, CPU TIME USED 1 SECONDS POLY:l-e OUTPUT TO SCREEN OR FILE /SCREEN/: Options /VWCS/: Output from POLY-3, equilibrium = 1, label A0 , database: TCFE10 Conditions: N=1, P=100000, W(C)=2.2E-2, W(CR)=0.13, W(V)=4E-2, W(MO)=1E-2 FIXED PHASES LIQUID=1 DEGREES OF FREEDOM 0 Temperature 1623.33 K ( 1350.18 C), Pressure 1.000000E+05 Number of moles of components 1.00000E+00, Mass in grams 5.12549E+01 Total Gibbs energy -9.57102E+04, Enthalpy 5.92584E+04, Volume 7.50069E-06 Component Moles W-Fraction Activity Potential Ref.stat C 9.3881E-02 2.2000E-02 5.4897E-03 -7.0251E+04 SER CR 1.2815E-01 1.3000E-01 3.8827E-04 -1.0600E+05 SER FE 7.3238E-01 7.9800E-01 1.0092E-03 -9.3111E+04 SER MO 5.3424E-03 1.0000E-02 1.7883E-05 -1.4755E+05 SER V 4.0246E-02 4.0000E-02 5.8018E-06 -1.6274E+05 SER LIQUID Status FIXED Driving force 0.0000E+00 Moles 1.0000E+00, Mass 5.1255E+01, Volume fraction 1.0000E+00 Mass fractions: FE 7.98000E-01 CR 1.30000E-01 V 4.00000E-02 C 2.20000E-02 MO 1.00000E-02 FCC_A1#1 Status ENTERED Driving force 0.0000E+00 Moles 2.2548E-16, Mass 1.2249E-14, Volume fraction 2.2314E-16 Mass fractions: FE 8.91627E-01 CR 8.57361E-02 V 1.16491E-02 C 6.18453E-03 MO 4.80292E-03 POLY: POLY: POLY: POLY: POLY:ch For phases, species or components? /PHASES/: Phase name(s):liq Status: /ENTERED/: Start value, number of mole formula units /0/: POLY:s-c T=1573 POLY:c-e Using global minimization procedure Calculated 39088 grid points in 0 s Found the set of lowest grid points in 0 s Calculated POLY solution 0 s, total time 0 s POLY:l-e OUTPUT TO SCREEN OR FILE /SCREEN/: Options /VWCS/: Output from POLY-3, equilibrium = 1, label A0 , database: TCFE10 Conditions: N=1, P=100000, T=1573, W(C)=2.2E-2, W(CR)=0.13, W(V)=4E-2, W(MO)=1E-2 DEGREES OF FREEDOM 0 Temperature 1573.00 K ( 1299.85 C), Pressure 1.000000E+05 Number of moles of components 1.00000E+00, Mass in grams 5.12549E+01 Total Gibbs energy -9.09998E+04, Enthalpy 5.37324E+04, Volume 7.40270E-06 Component Moles W-Fraction Activity Potential Ref.stat C 9.3881E-02 2.2000E-02 7.7766E-03 -6.3519E+04 SER CR 1.2815E-01 1.3000E-01 4.3966E-04 -1.0109E+05 SER FE 7.3238E-01 7.9800E-01 1.1264E-03 -8.8788E+04 SER MO 5.3424E-03 1.0000E-02 2.4749E-05 -1.3872E+05 SER V 4.0246E-02 4.0000E-02 6.1721E-06 -1.5689E+05 SER LIQUID Status ENTERED Driving force 0.0000E+00 Moles 6.8210E-01, Mass 3.4078E+01, Volume fraction 6.8322E-01 Mass fractions: FE 7.54219E-01 CR 1.50721E-01 V 5.37097E-02 C 2.92011E-02 MO 1.21495E-02 FCC_A1#1 Status ENTERED Driving force 0.0000E+00 Moles 3.1790E-01, Mass 1.7177E+01, Volume fraction 3.1678E-01 Mass fractions: FE 8.84858E-01 CR 8.88918E-02 V 1.28008E-02 C 7.71341E-03 MO 5.73559E-03 POLY:s-a-v Axis number: /1/: Condition /NONE/:T Min value /0/:1473 Max value /1/:1773 Increment /7.5/: POLY:step Option? /NORMAL/: No initial equilibrium, using default Step will start from axis value 1573.00 ...OK Phase Region from 1573.00 for: LIQUID FCC_A1#1 Global check of removing phase at 1.62333E+03 Calculated 9 equilibria Phase Region from 1623.33 for: LIQUID Global test at 1.67800E+03 .... OK Global test at 1.75300E+03 .... OK Terminating at 1773.00 Calculated 24 equilibria Phase Region from 1573.00 for: LIQUID FCC_A1#1 Global check of adding phase at 1.51875E+03 Calculated 10 equilibria Phase Region from 1518.75 for: LIQUID FCC_A1#1 M7C3_D101 Global check of removing phase at 1.49788E+03 Backtracking to find phase change for FCC_A1#2 Global test at 1.51300E+03 .... OK Global check of adding phase at 1.49988E+03 Calculated 6 equilibria Phase Region from 1499.88 for: LIQUID FCC_A1#1 FCC_A1#2 M7C3_D101 Global check of removing phase at 1.49982E+03 Calculated 3 equilibria Phase Region from 1499.82 for: FCC_A1#1 FCC_A1#2 M7C3_D101 Terminating at 1473.00 Calculated 8 equilibria *** Buffer saved on file: C:\Users\Dozent\AppData\Local\Temp\RESULT_005.POLY3 POLY:post POLY-3 POSTPROCESSOR VERSION 3.2 Setting automatic diagram axes POST:s-d-a AXIS (X, Y OR Z) :x VARIABLE :T_C POST:s-d-a AXIS (X, Y OR Z) :y VARIABLE :vpv(liq) POST:plot POST: POST:s-s-s AXIS (X, Y OR Z) :y AUTOMATIC SCALING (Y OR N) /N/: MIN VALUE :-0.05 MAX VALUE :1.05 POST:plot POST: POST: