******************************* * USING DEFAULT MTSIGNON FILE * ******************************* 0 lqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqk x aa aa aaaaaaaaa aaaaaaa aaa aaaaaaaaa aaa x x aaa aaa aaaaaaaaa aa aa aa aa aaaaaaaaa aa aa x x aa a a aa aaa aa aaa aa aa aaa aa aa x x aa a aa aaa aa aaa aaaaaaaaa aaa aaaaaaaaa x x aa aa aaa aa aa aa aa aaa aa aa x x aa aa aaa aaaaaaa aa aa aaa aa aa x mqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqj - METALLURGICAL THERMOCHEMISTRY SECTION - - CENTRE FOR MATERIALS MEASUREMENT AND TECHNOLOGY - - NATIONAL PHYSICAL LABORATORY -B Authorised for use by Dr H K D H Bhadeshia at the University of Cambridge under the terms and conditions of NPL 79/199-3 0 lqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqk x VERSION 4.71 FOR SUNOS 5.6 x x 12-APR-2000 x mqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqjB 10 of 12 DATABASES ARE AVAILABLE WHICH MODULE ? multi MULTIPHASE OPTION ? define system ENTER <'SYSTEM ELEMENTS'> : 'Fe,Mo,Cr,V,Mn,Ni,C' ! SEARCHING FOR SYSTEM Fe,Mo,Cr,V,Mn,Ni,C SEARCHING DATABASE(S) : plus - SGTE Solution Database plus 3.02 - 17/11/93 mike2 - robsonphd WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY V:Cr:C WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Fe:Cr:Mn WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Fe:Cr:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Fe:Cr:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Cr:Fe:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Cr:Fe:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Cr:Fe:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Cr:Fe:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Cr:Fe:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Fe:Cr:Mo WARNING: BINARY INTERACTION REJECTED - MISSING ? UNARY Fe:Ni:Fe WARNING: TERNARY INTERACTION REJECTED - MISSING ? UNARY V:Cr:C WARNING: 2 PHASES FOUND WITH THE NAME MNNI WARNING: 2 PHASES FOUND WITH THE NAME MNNI2 WARNING: 2 PHASES FOUND WITH THE NAME MNNI3 WARNING: 2 PHASES FOUND WITH THE NAME MN2NI WARNING: 2 PHASES FOUND WITH THE NAME MN3NI SIMPLIFIED MODEL USED FOR PHASE FE4N:4:1 SIMPLIFIED MODEL USED FOR PHASE FECN_CHI:2.2:1 SIMPLIFIED MODEL USED FOR PHASE MC_ETA:1:1 SIMPLIFIED MODEL USED FOR PHASE MC_SHP:1:1 SIMPLIFIED MODEL USED FOR PHASE CR2NB_H:2:1 SIMPLIFIED MODEL USED FOR PHASE CR2NB_R:2:1 SIMPLIFIED MODEL USED FOR PHASE CR3SI:3:1 SIMPLIFIED MODEL USED FOR PHASE CRSI2:1:2 SIMPLIFIED MODEL USED FOR PHASE CR3MN5:3:5 SIMPLIFIED MODEL USED FOR PHASE MN2NI:2:1 SIMPLIFIED MODEL USED FOR PHASE MN3NI:3:1 SIMPLIFIED MODEL USED FOR PHASE MNNI2:1:2 SIMPLIFIED MODEL USED FOR PHASE MNNI3:1:3 SIMPLIFIED MODEL USED FOR PHASE MNNI:1:1 SIMPLIFIED MODEL USED FOR PHASE MONI3_GAMMA:1:3 SIMPLIFIED MODEL USED FOR PHASE MONI4_BETA:1:4 SIMPLIFIED MODEL USED FOR PHASE AL3NI2:.6:.4 ERROR: NO DATA FOR BINARY INTERACTION Mn,Mo ERROR: NO DATA FOR BINARY INTERACTION Mo,V ERROR: NO DATA FOR BINARY INTERACTION Ni,V MISSING DATA ASSUMED ZERO: PHASE MAGNETIC BUT NO MAGNETIC DATA FOR Mo:C MISSING DATA ASSUMED ZERO: PHASE MAGNETIC BUT NO MAGNETIC DATA FOR V:C MISSING DATA ASSUMED ZERO: PHASE MAGNETIC BUT NO MAGNETIC DATA FOR ERROR: Missing data for unary(s) PHASE: MONI_DELTA:24:20:12 ERROR: Missing data for unary(s) PHASE: P_PHASE:24:20:12 ERROR: Missing data for unary(s) ****** GOOD DATAFILE CREATED (but missing/inconsistent data) ****** **************************************************** * FOR MISSING INTERACTION DATA SEE FILE misbin.dbl * **************************************************** Date and time of run 5-JUN-2001 20:42:11 * DATAFILE = /home4/users/guest/Yola/def.mpi - CREATED 20:42:08 5-JUN-2001 * SYSTEM = Fe,Mo,Cr,V,Mn,Ni,C, * NUMBER OF PHASES = 50 * NUMBER OF SPECIES = 195 * ******************************** * UNASSESSED OR INCORRECT DATA * ******************************** ************************************* * WARNING/ERRORS HAVE BEEN DETECTED * ************************************* 9 Warnings: UNASSESSED DATA - Missing data for binary(s) 7 Warnings: UNASSESSED DATA - Missing data for unary(s) MULTIPHASE OPTION ? lis sys pha ! NUMBER PHASE STATUS MODEL 1 DIAMOND_A4 NORMAL PURE SUBSTANCE 2 GRAPHITE NORMAL PURE SUBSTANCE 3 LIQUID ABSENT REDLICH-KISTER 4 GAS NORMAL IDEAL GAS 5 BCC_A2 ABSENT SUBLATTICE 6 CBCC_A12 ABSENT SUBLATTICE 7 CEMENTITE ABSENT SUBLATTICE 8 CUB_A13 ABSENT SUBLATTICE 9 FCC_A1 ABSENT SUBLATTICE 10 HCP_A3 ABSENT SUBLATTICE 11 KSI_CARBIDE NORMAL SUBLATTICE 12 M3C2 ABSENT SUBLATTICE 13 M7C3 ABSENT SUBLATTICE 14 M23C6 ABSENT SUBLATTICE 15 M6C ABSENT SUBLATTICE 16 CR2VC2 NORMAL PURE SUBSTANCE 17 FE4N NORMAL PURE SUBSTANCE 18 FECN_CHI NORMAL PURE SUBSTANCE 19 M5C2 NORMAL SUBLATTICE 20 V3C2 NORMAL SUBLATTICE 21 MC_ETA NORMAL REDLICH-KISTER >>>>> Type return for more, Q to quit paging : 22 MC_SHP NORMAL PURE SUBSTANCE 23 CR2NB_H NORMAL PURE SUBSTANCE 24 CR2NB_R NORMAL PURE SUBSTANCE 25 CR3SI NORMAL PURE SUBSTANCE 26 CRSI2 NORMAL PURE SUBSTANCE 27 CHI_A12 NORMAL SUBLATTICE 28 SIGMA ABSENT SUBLATTICE 29 LAVES_PHASE NORMAL SUBLATTICE 30 MU_PHASE ABSENT SUBLATTICE 31 R_PHASE ABSENT SUBLATTICE 32 MONI_DELTA ABSENT SUBLATTICE 33 P_PHASE ABSENT SUBLATTICE 34 CR3MN5 NORMAL PURE SUBSTANCE 35 HIGH_SIGMA NORMAL SUBLATTICE 36 AL5FE4 NORMAL PURE SUBSTANCE 37 MNNI NORMAL PURE SUBSTANCE 38 MNNI2 NORMAL PURE SUBSTANCE 39 MNNI3 NORMAL PURE SUBSTANCE 40 MN2NI NORMAL PURE SUBSTANCE 41 MN3NI NORMAL PURE SUBSTANCE 42 MN2NI_1 NORMAL PURE SUBSTANCE 43 MN3NI_1 NORMAL PURE SUBSTANCE 44 MNNI2_1 NORMAL PURE SUBSTANCE >>>>> Type return for more, Q to quit paging : 45 MNNI3_1 NORMAL PURE SUBSTANCE 46 MNNI_1 NORMAL PURE SUBSTANCE 47 MONI3_GAMMA NORMAL PURE SUBSTANCE 48 MONI4_BETA NORMAL PURE SUBSTANCE 49 AL3NI2 NORMAL PURE SUBSTANCE 50 ALNI_B2 NORMAL SUBLATTICE MULTIPHASE OPTION ? MULTIPHASE OPTION ? clas abs pha(*) ! MULTIPHASE OPTION ? lis sys pha ! NUMBER PHASE STATUS MODEL 1 DIAMOND_A4 ABSENT PURE SUBSTANCE 2 GRAPHITE ABSENT PURE SUBSTANCE 3 LIQUID ABSENT REDLICH-KISTER 4 GAS ABSENT IDEAL GAS 5 BCC_A2 ABSENT SUBLATTICE 6 CBCC_A12 ABSENT SUBLATTICE 7 CEMENTITE ABSENT SUBLATTICE 8 CUB_A13 ABSENT SUBLATTICE 9 FCC_A1 ABSENT SUBLATTICE 10 HCP_A3 ABSENT SUBLATTICE 11 KSI_CARBIDE ABSENT SUBLATTICE 12 M3C2 ABSENT SUBLATTICE 13 M7C3 ABSENT SUBLATTICE 14 M23C6 ABSENT SUBLATTICE 15 M6C ABSENT SUBLATTICE 16 CR2VC2 ABSENT PURE SUBSTANCE 17 FE4N ABSENT PURE SUBSTANCE 18 FECN_CHI ABSENT PURE SUBSTANCE 19 M5C2 ABSENT SUBLATTICE 20 V3C2 ABSENT SUBLATTICE 21 MC_ETA ABSENT REDLICH-KISTER >>>>> Type return for more, Q to quit paging : 22 MC_SHP ABSENT PURE SUBSTANCE 23 CR2NB_H ABSENT PURE SUBSTANCE 24 CR2NB_R ABSENT PURE SUBSTANCE 25 CR3SI ABSENT PURE SUBSTANCE 26 CRSI2 ABSENT PURE SUBSTANCE 27 CHI_A12 ABSENT SUBLATTICE 28 SIGMA ABSENT SUBLATTICE 29 LAVES_PHASE ABSENT SUBLATTICE 30 MU_PHASE ABSENT SUBLATTICE 31 R_PHASE ABSENT SUBLATTICE 32 MONI_DELTA ABSENT SUBLATTICE 33 P_PHASE ABSENT SUBLATTICE 34 CR3MN5 ABSENT PURE SUBSTANCE 35 HIGH_SIGMA ABSENT SUBLATTICE 36 AL5FE4 ABSENT PURE SUBSTANCE 37 MNNI ABSENT PURE SUBSTANCE 38 MNNI2 ABSENT PURE SUBSTANCE 39 MNNI3 ABSENT PURE SUBSTANCE 40 MN2NI ABSENT PURE SUBSTANCE 41 MN3NI ABSENT PURE SUBSTANCE 42 MN2NI_1 ABSENT PURE SUBSTANCE 43 MN3NI_1 ABSENT PURE SUBSTANCE 44 MNNI2_1 ABSENT PURE SUBSTANCE >>>>> Type return for more, Q to quit paging : 45 MNNI3_1 ABSENT PURE SUBSTANCE 46 MNNI_1 ABSENT PURE SUBSTANCE 47 MONI3_GAMMA ABSENT PURE SUBSTANCE 48 MONI4_BETA ABSENT PURE SUBSTANCE 49 AL3NI2 ABSENT PURE SUBSTANCE 50 ALNI_B2 ABSENT SUBLATTICE MULTIPHASE OPTION ? MULTIPHASE OPTION ? clas nor p(5,7) ! MULTIPHASE OPTION ? lis sys pha ! NUMBER PHASE STATUS MODEL 1 DIAMOND_A4 ABSENT PURE SUBSTANCE 2 GRAPHITE ABSENT PURE SUBSTANCE 3 LIQUID ABSENT REDLICH-KISTER 4 GAS ABSENT IDEAL GAS 5 BCC_A2 NORMAL SUBLATTICE 6 CBCC_A12 ABSENT SUBLATTICE 7 CEMENTITE NORMAL SUBLATTICE 8 CUB_A13 ABSENT SUBLATTICE 9 FCC_A1 ABSENT SUBLATTICE 10 HCP_A3 ABSENT SUBLATTICE 11 KSI_CARBIDE ABSENT SUBLATTICE 12 M3C2 ABSENT SUBLATTICE 13 M7C3 ABSENT SUBLATTICE 14 M23C6 ABSENT SUBLATTICE 15 M6C ABSENT SUBLATTICE 16 CR2VC2 ABSENT PURE SUBSTANCE 17 FE4N ABSENT PURE SUBSTANCE 18 FECN_CHI ABSENT PURE SUBSTANCE 19 M5C2 ABSENT SUBLATTICE 20 V3C2 ABSENT SUBLATTICE 21 MC_ETA ABSENT REDLICH-KISTER >>>>> Type return for more, Q to quit paging : 22 MC_SHP ABSENT PURE SUBSTANCE 23 CR2NB_H ABSENT PURE SUBSTANCE 24 CR2NB_R ABSENT PURE SUBSTANCE 25 CR3SI ABSENT PURE SUBSTANCE 26 CRSI2 ABSENT PURE SUBSTANCE 27 CHI_A12 ABSENT SUBLATTICE 28 SIGMA ABSENT SUBLATTICE 29 LAVES_PHASE ABSENT SUBLATTICE 30 MU_PHASE ABSENT SUBLATTICE 31 R_PHASE ABSENT SUBLATTICE 32 MONI_DELTA ABSENT SUBLATTICE 33 P_PHASE ABSENT SUBLATTICE 34 CR3MN5 ABSENT PURE SUBSTANCE 35 HIGH_SIGMA ABSENT SUBLATTICE 36 AL5FE4 ABSENT PURE SUBSTANCE 37 MNNI ABSENT PURE SUBSTANCE 38 MNNI2 ABSENT PURE SUBSTANCE 39 MNNI3 ABSENT PURE SUBSTANCE 40 MN2NI ABSENT PURE SUBSTANCE 41 MN3NI ABSENT PURE SUBSTANCE 42 MN2NI_1 ABSENT PURE SUBSTANCE 43 MN3NI_1 ABSENT PURE SUBSTANCE 44 MNNI2_1 ABSENT PURE SUBSTANCE >>>>> Type return for more, Q to quit paging : 45 MNNI3_1 ABSENT PURE SUBSTANCE 46 MNNI_1 ABSENT PURE SUBSTANCE 47 MONI3_GAMMA ABSENT PURE SUBSTANCE 48 MONI4_BETA ABSENT PURE SUBSTANCE 49 AL3NI2 ABSENT PURE SUBSTANCE 50 ALNI_B2 ABSENT SUBLATTICE MULTIPHASE OPTION ? class para comp(Fe,Mo,Cr,V,Mn,Ni) ! MULTIPHASE OPTION ? lis sys comp ! NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 Fe #PARA! undefined 2 Mo #PARA! undefined 3 Cr #PARA! undefined 4 V #PARA! undefined 5 Mn #PARA! undefined 6 Ni #PARA! undefined 7 C NORMAL undefined MULTIPHASE OPTION ? set temperature 673 ! MULTIPHASE OPTION ? set w( ) ENTER OF COMPONENT Fe : 97 ENTER OF COMPONENT Mo : 0.5 ENTER OF COMPONENT Cr : 0.5 ENTER OF COMPONENT V : 0.5 ENTER OF COMPONENT Mn : 0.5 ENTER OF COMPONENT Ni : 0.98 ENTER OF COMPONENT C : 0.02 SET WHAT ? ! MULTIPHASE OPTION ? lis sys set ! TEMPERATURE : 673.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1736.888 5.211591 9.616124 9.815180 COMP. AMOUNTS/mol : 9.101169 16.69790 1.665140 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 97.00000 0.5000000 0.5000000 0.5000000 COMP. MASSES/kg : 0.5000000 0.9800000 0.2000000E-01 MULTIPHASE OPTION ? comp pri wei ! *** MULTIPHASE - Stage 1* Results *** Temperature = 673.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Amount Mole fraction mole Notional activity Phase BCC_A2 Cr:1 9.58961E+00 0.0013450 Fe:1 1.73210E+03 0.2429445 Mn:1 9.07608E+00 0.0012730 Mo:1 5.19722E+00 0.0007290 Ni:1 1.66519E+01 0.0023356 V:1 9.78812E+00 0.0013729 C:2 2.26515E-02 0.0000032 Va:2 5.34719E+03 0.7499968 Phase total is 7.12961E+03 1.0000000 Phase CEMENTITE Cr:1 2.65106E-02 0.0040351 Fe:1 4.78840E+00 0.7288335 Mn:1 2.50909E-02 0.0038190 Mo:1 1.43678E-02 0.0021869 Ni:1 4.60342E-02 0.0070068 V:1 2.70593E-02 0.0041186 C:2 1.64249E+00 0.2500000 Phase total is 6.56996E+00 1.0000000 Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe undef undef 1.736888E+03 9.700000E+01 Mo undef undef 5.211591E+00 5.000000E-01 Cr undef undef 9.616124E+00 5.000000E-01 V undef undef 9.815180E+00 5.000000E-01 Mn undef undef 9.101169E+00 5.000000E-01 Ni -2.558732E+06 2.570263-199 1.669790E+01 9.800000E-01 C 3.596018E+03 1.901501E+00 1.665140E+00 2.000000E-02 Total 1.788995E+03 1.000000E+02 Gibbs Energy = -4.2719485386E+07 J Number of Gibbs Energy evaluations in Stage 1 = 15 Estimate of Stage 1* calculational inaccuracy in species mole amount ni (ignoring inaccuracies in data) = Errabs + Errrel * ni where Errabs = 5.0E-06 Errrel = 9.4E-10 Percentage distribution of components between phases Fe Mo Cr BCC_A2 99.72431 99.72431 99.72431 CEMENTITE 0.27569 0.27569 0.27569 V Mn Ni BCC_A2 99.72431 99.72431 99.72431 CEMENTITE 0.27569 0.27569 0.27569 C BCC_A2 1.36034 CEMENTITE 98.63966 Amount Phase Mole fraction of component within phase compnt moles Fe Mo Cr 1.7824E+03 BCC_A2 0.9717657 0.0029158 0.0053801 6.5700E+00 CEMENTITE 0.7288335 0.0021869 0.0040351 V Mn Ni 1.7824E+03 BCC_A2 0.0054915 0.0050920 0.0093423 6.5700E+00 CEMENTITE 0.0041186 0.0038190 0.0070068 C 1.7824E+03 BCC_A2 0.0000127 6.5700E+00 CEMENTITE 0.2500000 Mass/kg Phase Mass fraction of component within phase Fe Mo Cr 9.9705E+01 BCC_A2 0.9701914 0.0050010 0.0050010 2.9536E-01 CEMENTITE 0.9053923 0.0046670 0.0046670 V Mn Ni 9.9705E+01 BCC_A2 0.0050010 0.0050010 0.0098019 2.9536E-01 CEMENTITE 0.0046670 0.0046670 0.0091473 C 9.9705E+01 BCC_A2 0.0000027 2.9536E-01 CEMENTITE 0.0667925 MULTIPHASE OPTION ? lis sys comp ! NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 Fe #PARA! 1736.89 2 Mo #PARA! 5.21159 3 Cr #PARA! 9.61612 4 V #PARA! 9.81518 5 Mn #PARA! 9.10117 6 Ni #PARA! 16.6979 7 C NORMAL 1.66514 MULTIPHASE OPTION ?