Date and time of run 28-MAY-2015 14:37:08 > 150528143548,12 MTDATA 4.73 2002-11-15 14:22, LOG /mnt/bart/users/hkdb/mt12.log > 150528143550,12 U-32749 on LNX-000-T (UNIX) using sgm000.exe > 150528143708,12 MODULE 3 creates MPI file /mnt/bart/users/hkdb/def.mpi > 150528143708,12 MODULE 3 reads MPI file /mnt/bart/users/hkdb/def.mpi > 150528143708,12 MODULE 3 creates MPR file /mnt/bart/users/hkdb/def.mpr $(Number of lines of title) 8 * DATAFILE = /mnt/bart/users/hkdb/def.mpi - CREATED 14:37:08 28-MAY-2015 * SYSTEM = Fe,N, * NUMBER OF PHASES = 27 * NUMBER OF SPECIES = 42 * DATA FILE = /mnt/bart/users/hkdb/def.mpi *** PROBLEM settings *** SYSTEM ELEMENTS : FeN NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 Fe # TO BAL 1783.44 2 N NORMAL 28.5578 NUMBER PHASE STATUS MODEL 1 AL5FE4 ABSENT PURE SUBSTANCE 2 LIQUID ABSENT REDLICH-KISTER 3 ORTHORHOMBIC_A20 ABSENT PURE SUBSTANCE 4 TETRAGONAL_U ABSENT PURE SUBSTANCE 5 FE2U ABSENT PURE SUBSTANCE 6 FESB ABSENT PURE SUBSTANCE 7 FEU6 ABSENT PURE SUBSTANCE 8 FEUZR_DELTA ABSENT PURE SUBSTANCE 9 FEZN4 ABSENT PURE SUBSTANCE 10 FEZN_DELTA ABSENT PURE SUBSTANCE 11 FEZN_GAMMA_D82 ABSENT PURE SUBSTANCE 12 FEZN_ZETA ABSENT PURE SUBSTANCE 13 FEZR2 ABSENT PURE SUBSTANCE 14 FEZR3 ABSENT PURE SUBSTANCE 15 LAVES_C14 ABSENT PURE SUBSTANCE 16 LAVES_C15 ABSENT PURE SUBSTANCE 17 BCC_A2 NORMAL SUBLATTICE 18 CBCC_A12 ABSENT REDLICH-KISTER 19 CEMENTITE ABSENT PURE SUBSTANCE 20 CUB_A13 ABSENT REDLICH-KISTER 21 FCC_A1 ABSENT REDLICH-KISTER 22 FE4N 1 M-G REDLICH-KISTER 23 FECN_CHI ABSENT PURE SUBSTANCE 24 HCP_A3 ABSENT SUBLATTICE 25 BCC_B2 ABSENT CHEMICAL ORDERING(C) 26 FCC_L12 ABSENT CHEMICAL ORDERING 27 GAS ABSENT IDEAL GAS NUMBER SUBSTANCE STATUS/CONSTRAINT 1 Fe NORMAL 2 Fe NORMAL 3 N NORMAL 4 Fe NORMAL 5 Fe NORMAL 6 Fe2Fe NORMAL 7 FeFe NORMAL 8 FeFe6 NORMAL 9 FeFe2 NORMAL 10 Fe.25Fe.75 NORMAL 11 Fe.125Fe.875 NORMAL 15 FeFe3 NORMAL 16 Fe2Fe NORMAL 17 Fe2Fe NORMAL 18 Fe:1 NORMAL 19 N:2 NORMAL 20 Va:2 NORMAL 21 FeN NORMAL 22 Fe NORMAL 23 Fe3N NORMAL 24 FeN NORMAL 25 Fe NORMAL 26 FeN NORMAL 27 Fe NORMAL 28 Fe4N NORMAL 29 Fe4 NORMAL 30 Fe5N2 NORMAL 31 Fe:1 NORMAL 32 N:2 NORMAL 33 Va:2 NORMAL 34 Fe:1 NORMAL 35 Fe:2 NORMAL 36 N:3 NORMAL 37 Va:3 NORMAL 38 Fe:1 NORMAL 39 Fe:2 NORMAL 40 N:3 NORMAL 41 Va:3 NORMAL 42 N2 NORMAL UNARY SOURCE Tmin/K Tmax/K Fe sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 N sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 Fe2Fe sgte_sol 298.15 2500.00 FeFe sgte_sol 298.15 3000.00 FeFe6 sgte_sol 298.15 2500.00 FeFe2 sgte_sol 298.15 2500.00 Fe.25Fe.75 sgte_sol 298.15 3000.00 Fe.125Fe.875 sgte_sol 298.15 3000.00 Fe.3Fe.7 sgte_sol 298.15 3000.00 Fe.072Fe0.928 sgte_sol 298.15 3000.00 FeFe2 sgte_sol 298.15 6000.00 FeFe3 sgte_sol 298.15 6000.00 Fe2Fe sgte_sol 298.15 6000.00 Fe2Fe sgte_sol 298.15 6000.00 Fe:N sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 FeN sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 Fe3N sgte_sol 298.15 6000.00 FeN sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 FeN sgte_sol 298.15 6000.00 Fe sgte_sol 298.15 6000.00 Fe4N sgte_sol 298.15 6000.00 Fe4 sgte_sol 298.15 6000.00 Fe5N2 sgte_sol 298.15 6000.00 Fe:N sgte_sol 298.15 6000.00 Fe:Va sgte_sol 298.15 6000.00 Fe:Fe:N sgte_sol 298.15 6000.00 Fe:Fe:Va sgte_sol 298.15 6000.00 Fe:Fe:N sgte_sol 298.15 6000.00 Fe:Fe:Va sgte_sol 298.15 6000.00 N2 sgte_sol 298.15 6000.00 TEMPERATURE : 1273.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 Stage 1* only requested *** MULTIPHASE - Stage 1* Results *** Temperature = 1273.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -6.240331E+04 2.750981E-03 1.783444E+03 9.960000E+01 N -8.909263E+04 2.209938E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 1.0000E+02 BCC_A2 0.9960000 0.0040000 Gibbs Energy = -1.1383710305E+08 J System Enthalpy = 6.7607588414E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 1223.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 1223.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -5.853261E+04 3.163155E-03 1.783444E+03 9.960000E+01 N -8.378451E+04 2.640174E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 1.0000E+02 BCC_A2 0.9960000 0.0040000 Gibbs Energy = -1.0678233174E+08 J System Enthalpy = 6.3984725949E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 1173.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 1173.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -5.474533E+04 3.649282E-03 1.783444E+03 9.960000E+01 N -7.851103E+04 3.191013E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 1.0000E+02 BCC_A2 0.9960000 0.0040000 Gibbs Energy = -9.9877338504E+07 J System Enthalpy = 6.0276247069E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 1123.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 1123.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -5.104705E+04 4.223611E-03 1.783444E+03 9.960000E+01 N -7.327361E+04 3.907286E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 1.0000E+02 BCC_A2 0.9960000 0.0040000 Gibbs Energy = -9.3133330836E+07 J System Enthalpy = 5.6422616473E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 1073.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 1073.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -4.742489E+04 4.913268E-03 1.783444E+03 9.960000E+01 N -6.970293E+04 4.044659E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.8679E+01 BCC_A2 0.9966627 0.0033373 1.3205E+00 FE4N 0.9464767 0.0535233 Gibbs Energy = -8.6570187729E+07 J System Enthalpy = 5.2056309221E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 1023.000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 1023.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -4.391292E+04 5.726008E-03 1.783444E+03 9.960000E+01 N -6.686996E+04 3.852025E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.7146E+01 BCC_A2 0.9974798 0.0025202 2.8540E+00 FE4N 0.9456317 0.0543683 Gibbs Energy = -8.0225883804E+07 J System Enthalpy = 4.7003322306E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 973.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 973.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -4.054565E+04 6.658827E-03 1.783444E+03 9.960000E+01 N -6.384294E+04 3.738823E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.6067E+01 BCC_A2 0.9980979 0.0019021 3.9327E+00 FE4N 0.9447539 0.0552461 Gibbs Energy = -7.4134065496E+07 J System Enthalpy = 4.2007667706E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 923.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 923.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -3.731656E+04 7.730815E-03 1.783444E+03 9.960000E+01 N -6.067406E+04 3.684729E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.5292E+01 BCC_A2 0.9985744 0.0014256 4.7077E+00 FE4N 0.9438893 0.0561107 Gibbs Energy = -6.8284717860E+07 J System Enthalpy = 3.7532838559E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 873.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 873.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -3.421874E+04 8.966543E-03 1.783444E+03 9.960000E+01 N -5.741366E+04 3.671356E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.4724E+01 BCC_A2 0.9989473 0.0010527 5.2760E+00 FE4N 0.9430850 0.0569150 Gibbs Energy = -6.2666808241E+07 J System Enthalpy = 3.3442793652E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 823.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 823.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -3.124814E+04 1.039381E-02 1.783444E+03 9.960000E+01 N -5.409609E+04 3.687096E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.4302E+01 BCC_A2 0.9992396 0.0007604 5.6981E+00 FE4N 0.9423851 0.0576149 Gibbs Energy = -5.7274181622E+07 J System Enthalpy = 2.9653472969E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 773.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 773.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -2.840286E+04 1.204358E-02 1.783444E+03 9.960000E+01 N -5.074387E+04 3.724981E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.3985E+01 BCC_A2 0.9994667 0.0005333 6.0145E+00 FE4N 0.9418273 0.0581727 Gibbs Energy = -5.2104053560E+07 J System Enthalpy = 2.6110256662E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 723.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 723.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -2.568256E+04 1.394945E-02 1.783444E+03 9.960000E+01 N -4.737104E+04 3.781524E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.3747E+01 BCC_A2 0.9996397 0.0003603 6.2531E+00 FE4N 0.9414327 0.0585673 Gibbs Energy = -4.7156213367E+07 J System Enthalpy = 2.2775279919E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 673.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 673.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -2.308922E+04 1.614301E-02 1.783444E+03 9.960000E+01 N -4.398351E+04 3.857652E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.3568E+01 BCC_A2 0.9997677 0.0002323 6.4324E+00 FE4N 0.9411930 0.0588070 Gibbs Energy = -4.2432682577E+07 J System Enthalpy = 1.9620042566E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 623.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 623.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -2.062208E+04 1.866430E-02 1.783444E+03 9.960000E+01 N -4.059698E+04 3.947155E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.3436E+01 BCC_A2 0.9998588 0.0001412 6.5640E+00 FE4N 0.9410712 0.0589288 Gibbs Energy = -3.7937684285E+07 J System Enthalpy = 1.6621476215E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 573.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 573.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -1.828778E+04 2.152433E-02 1.783444E+03 9.960000E+01 N -3.721101E+04 4.054451E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.3344E+01 BCC_A2 0.9999204 0.0000796 6.6560E+00 FE4N 0.9410205 0.0589795 Gibbs Energy = -3.3677811235E+07 J System Enthalpy = 1.3760460144E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 523.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 523.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -1.609017E+04 2.471918E-02 1.783444E+03 9.960000E+01 N -3.383970E+04 4.171997E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.3284E+01 BCC_A2 0.9999593 0.0000407 6.7157E+00 FE4N 0.9410035 0.0589965 Gibbs Energy = -2.9662321697E+07 J System Enthalpy = 1.1021484551E+07 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 473.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Results *** Temperature = 473.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -1.403678E+04 2.817868E-02 1.783444E+03 9.960000E+01 N -3.049382E+04 4.291129E-04 2.855776E+01 4.000000E-01 Total 1.812002E+03 1.000000E+02 Mass/kg Phase Mass fraction of component within phase Fe N 9.3249E+01 BCC_A2 0.9999817 0.0000183 6.7507E+00 FE4N 0.9409992 0.0590008 Gibbs Energy = -2.5903569029E+07 J System Enthalpy = 8.3924840224E+06 J *** PROBLEM settings *** Changes only listed under components/phases/substances NUMBER COMPONENT STATUS AMOUNT DELTA REF.P NUMBER PHASE STATUS MODEL NUMBER SUBSTANCE STATUS/CONSTRAINT TEMPERATURE : 423.0000 PRESSURE/Pa : 101325.0 VOLUME/m3 : undefined SYSTEM AMOUNT/mol : undefined COMP. AMOUNTS/mol : 1783.444 28.55776 SYSTEM MASS/kg : 100.0000 COMP. MASSES/kg : 99.60000 0.4000000 STEPPED VARIABLE INITIAL, FINAL AND STEP VALUES OF VARIABLE TEMPERATURE 1273.00 to 323.000 by -50.0000 *** MULTIPHASE - Stage 1* Result