'Fe,C,Si,Mn,Ni,Mo,Cr,V,W,Nb,Ta,N' def out 'dave2' ! save WHIch module? Access def sou plus sub_sgte ! rlogin pt19 -l mtdata bash Password: Last login: Tue Jan 11 15:10:26 from pp7.mt.umist.ac. Sun Microsystems Inc. SunOS 5.5 Generic November 1995 pt6.msm.cam.ac.uk% mtdata ******************************* * 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 4.70 FOR SUNOS 5.5 x x 21-MAY-1999 x mqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqqjB 9 DATABASES ARE AVAILABLE WHICH MODULE ? multiphase MULTIPHASE OPTION ? define data 'joe3.mpi' ! Date and time of run 22-JAN-2000 13:26:54 * DATAFILE = joe4.mpi - CREATED 14:44 28/06/96 * SYSTEM = C,Si,Mn,P,S,Al,Cr,Mo,Ni,V,W,B,Nb,N,Fe, * NUMBER OF PHASES = 11 * NUMBER OF SPECIES = 94 * ******************************** * UNASSESSED OR INCORRECT DATA * ******************************** ************************************* * WARNING/ERRORS HAVE BEEN DETECTED * ************************************* 7 Errors : UNASSESSED DATA - Missing data for unary(s) 1 Errors : UNASSESSED DATA - Missing data for binary(s) MULTIPHASE OPTION ? list system phases ! NUMBER PHASE STATUS MODEL 1 BCC_A2 absent SUBLATTICE 2 FCC_A1 absent SUBLATTICE 3 HCP_A3 absent SUBLATTICE 4 CEMENTITE absent SUBLATTICE 5 M7C3 absent SUBLATTICE 6 M23C6 absent SUBLATTICE 7 M6C absent SUBLATTICE 8 LAVES_PHASE absent SUBLATTICE 9 CNb NORMAL PURE SUBSTANCE 10 NNb NORMAL PURE SUBSTANCE 11 NV NORMAL PURE SUBSTANCE MULTIPHASE OPTION ? classify normal p(*) ! MULTIPHASE OPTION ? classify absent p(2) ! MULTIPHASE OPTION ? list system components ! NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 C NORMAL undefined 2 Si NORMAL undefined 3 Mn NORMAL undefined 4 P NORMAL undefined 5 S NORMAL undefined 6 Al NORMAL undefined 7 Cr NORMAL undefined 8 Mo NORMAL undefined 9 Ni NORMAL undefined 10 V NORMAL undefined 11 W NORMAL undefined 12 B NORMAL undefined 13 Nb NORMAL undefined 14 N NORMAL undefined 15 Fe NORMAL undefined MULTIPHASE OPTION ? set w=100 ! MULTIPHASE OPTION ? set w(1)=0.1 w(2)=0.3 w(3)=0.5 w(4)=0 w(5)=0 ! MULTIPHASE OPTION ? set w(6)=0 w(7)=9.0 w(8)=0 w(9)=0 w(10)=0 w(11)=0 ! MULTIPHASE OPTION ? set w(12)=0 w(13)=0 w(14)=0 ! MULTIPHASE OPTION ? li sys co ! NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 C NORMAL 8.32570 2 Si NORMAL 10.6817 3 Mn NORMAL 9.10117 4 P NORMAL 0. 5 S NORMAL 0. 6 Al NORMAL 0. 7 Cr NORMAL 173.090 8 Mo NORMAL 0. 9 Ni NORMAL 0. 10 V NORMAL 0. 11 W NORMAL 0. 12 B NORMAL 0. 13 Nb NORMAL 0. 14 N NORMAL 0. 15 Fe # TO BAL 1613.34 MULTIPHASE OPTION ? class abs c(4-6) c(12) ! MULTIPHASE OPTION ? li sys co ! NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 C NORMAL 8.32570 2 Si NORMAL 10.6817 3 Mn NORMAL 9.10117 4 P absent undefined 5 S absent undefined 6 Al absent undefined 7 Cr NORMAL 173.090 8 Mo NORMAL 0. 9 Ni NORMAL 0. 10 V NORMAL 0. 11 W NORMAL 0. 12 B absent undefined 13 Nb NORMAL 0. 14 N NORMAL 0. 15 Fe # TO BAL 1613.34 MULTIPHASE OPTION ? li sys ph ! NUMBER PHASE STATUS MODEL 1 BCC_A2 NORMAL SUBLATTICE 2 FCC_A1 absent SUBLATTICE 3 HCP_A3 NORMAL SUBLATTICE 4 CEMENTITE NORMAL SUBLATTICE 5 M7C3 NORMAL SUBLATTICE 6 M23C6 NORMAL SUBLATTICE 7 M6C NORMAL SUBLATTICE 8 LAVES_PHASE NORMAL SUBLATTICE 9 CNb NORMAL PURE SUBSTANCE 10 NNb NORMAL PURE SUBSTANCE 11 NV NORMAL PURE SUBSTANCE MULTIPHASE OPTION ? set temp 873 ! MULTIPHASE OPTION ? compute print brief print mol ! *** MULTIPHASE - Stage 1* Results *** Temperature = 873.0000 K Estimate of Stage 1* calculational inaccuracy in species mole amount ni (ignoring inaccuracies in data) = Errabs + Errrel * ni where Errabs = 5.0E-06 Errrel = 1.8E-06 Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg C -5.494467E+04 5.158830E-04 8.325701E+00 1.000000E-01 Si -1.718182E+05 5.245343E-11 1.068167E+01 3.000000E-01 Mn -7.151100E+04 5.264471E-05 9.101169E+00 5.000000E-01 Cr -3.649389E+04 6.553871E-03 1.730902E+02 9.000000E+00 Mo undef undef 0.000000E+00 0.000000E+00 Ni undef undef 0.000000E+00 0.000000E+00 V undef undef 0.000000E+00 0.000000E+00 W undef undef 0.000000E+00 0.000000E+00 Nb undef undef 0.000000E+00 0.000000E+00 N undef undef 0.000000E+00 0.000000E+00 Fe -3.481597E+04 8.258313E-03 1.613336E+03 9.010000E+01 Total 1.814535E+03 1.000000E+02 Gibbs Energy = -6.5429889123E+07 J Amount Phase Mole fraction of component within phase compnt moles C Si Mn 1.7743E+03 BCC_A2 0.0000020 0.0060202 0.0043620 4.0224E+01 M23C6 0.2068966 0.0000000 0.0338509 Cr Mo Ni 1.7743E+03 BCC_A2 0.0827839 0.0000000 0.0000000 4.0224E+01 M23C6 0.6514964 0.0000000 0.0000000 V W Nb 1.7743E+03 BCC_A2 0.0000000 0.0000000 0.0000000 4.0224E+01 M23C6 0.0000000 0.0000000 0.0000000 N Fe 1.7743E+03 BCC_A2 0.0000000 0.9068319 4.0224E+01 M23C6 0.0000000 0.1077561 MULTIPHASE OPTION ? MULTIPHASE OPTION ? MULTIPHASE OPTION ? set w(11)=1 ! MULTIPHASE OPTION ? lis sys co ! NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 C NORMAL 8.32570 2 Si NORMAL 10.6817 3 Mn NORMAL 9.10117 4 P absent undefined 5 S absent undefined 6 Al absent undefined 7 Cr NORMAL 173.090 8 Mo NORMAL 0. 9 Ni NORMAL 0. 10 V NORMAL 0. 11 W NORMAL 5.43922 12 B absent undefined 13 Nb NORMAL 0. 14 N NORMAL 0. 15 Fe # TO BAL 1595.43 MULTIPHASE OPTION ? set temp 873 ! MULTIPHASE OPTION ? compute print brief print mol ! --More--(46%) *** MULTIPHASE - Stage 1* Results *** Temperature = 873.0000 K Estimate of Stage 1* calculational inaccuracy in species mole amount ni (ignoring inaccuracies in data) = Errabs + Errrel * ni where Errabs = 5.0E-06 Errrel = 6.9E-06 Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg C -5.549228E+04 4.783949E-04 8.325701E+00 1.000000E-01 Si -1.715341E+05 5.454718E-11 1.068167E+01 3.000000E-01 Mn -7.048174E+04 6.066494E-05 9.101169E+00 5.000000E-01 Cr -3.643956E+04 6.603110E-03 1.730902E+02 9.000000E+00 Mo undef undef 0.000000E+00 0.000000E+00 Ni undef undef 0.000000E+00 0.000000E+00 V undef undef 0.000000E+00 0.000000E+00 W -4.736270E+04 1.466207E-03 5.439217E+00 1.000000E+00 Nb undef undef 0.000000E+00 0.000000E+00 N undef undef 0.000000E+00 0.000000E+00 Fe -3.484327E+04 8.227309E-03 1.595430E+03 8.910000E+01 Total 1.802068E+03 1.000000E+02 Gibbs Energy = -6.5091878231E+07 J Amount Phase Mole fraction of component within phase compnt moles C Si Mn 1.7605E+03 BCC_A2 0.0000019 0.0060675 0.0051246 4.0225E+01 M23C6 0.2068966 0.0000000 0.0019776 1.3808E+00 LAVES_PHASE 0.0000000 0.0000000 0.0000000 Cr Mo Ni 1.7605E+03 BCC_A2 0.0839473 0.0000000 0.0000000 4.0225E+01 M23C6 0.6244459 0.0000000 0.0000000 1.3808E+00 LAVES_PHASE 0.1346530 0.0000000 0.0000000 V W Nb 1.7605E+03 BCC_A2 0.0000000 0.0019987 0.0000000 4.0225E+01 M23C6 0.0000000 0.0363029 0.0000000 1.3808E+00 LAVES_PHASE 0.0000000 0.3333333 0.0000000 N Fe 1.7605E+03 BCC_A2 0.0000000 0.9028600 4.0225E+01 M23C6 0.0000000 0.1303771 1.3808E+00 LAVES_PHASE 0.0000000 0.5320137 MULTIPHASE OPTION ? MULTIPHASE OPTION ? set w(11)=2 ! MULTIPHASE OPTION ? li sys co ! NUMBER COMPONENT STATUS AMOUNT DELTA REF.P 1 C NORMAL 8.32570 2 Si NORMAL 10.6817 3 Mn NORMAL 9.10117 4 P absent undefined 5 S absent undefined 6 Al absent undefined 7 Cr NORMAL 173.090 8 Mo NORMAL 0. 9 Ni NORMAL 0. 10 V NORMAL 0. 11 W NORMAL 10.8784 12 B absent undefined 13 Nb NORMAL 0. 14 N NORMAL 0. 15 Fe # TO BAL 1577.52 MULTIPHASE OPTION ? compute print brief print mol ! *** MULTIPHASE - Stage 1* Results *** Temperature = 873.0000 K Estimate of Stage 1* calculational inaccuracy in species mole amount ni (ignoring inaccuracies in data) = Errabs + Errrel * ni where Errabs = 5.0E-06 Errrel = 3.0E-06 Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg C -5.551362E+04 4.769904E-04 8.325701E+00 1.000000E-01 Si -1.713924E+05 5.562312E-11 1.068167E+01 3.000000E-01 Mn -7.037425E+04 6.157000E-05 9.101169E+00 5.000000E-01 Cr -3.643355E+04 6.608579E-03 1.730902E+02 9.000000E+00 Mo undef undef 0.000000E+00 0.000000E+00 Ni undef undef 0.000000E+00 0.000000E+00 V undef undef 0.000000E+00 0.000000E+00 W -4.736165E+04 1.466420E-03 1.087843E+01 2.000000E+00 Nb undef undef 0.000000E+00 0.000000E+00 N undef undef 0.000000E+00 0.000000E+00 Fe -3.484507E+04 8.225278E-03 1.577524E+03 8.810000E+01 Total 1.789602E+03 1.000000E+02 Gibbs Energy = -6.4725558308E+07 J Amount Phase Mole fraction of component within phase compnt moles C Si Mn 1.7315E+03 BCC_A2 0.0000019 0.0061691 0.0052093 4.0225E+01 M23C6 0.2068966 0.0000000 0.0020248 1.7897E+01 LAVES_PHASE 0.0000000 0.0000000 0.0000000 Cr Mo Ni 1.7315E+03 BCC_A2 0.0840615 0.0000000 0.0000000 4.0225E+01 M23C6 0.6246756 0.0000000 0.0000000 1.7897E+01 LAVES_PHASE 0.1347660 0.0000000 0.0000000 V W Nb 1.7315E+03 BCC_A2 0.0000000 0.0019968 0.0000000 4.0225E+01 M23C6 0.0000000 0.0361828 0.0000000 1.7897E+01 LAVES_PHASE 0.0000000 0.3333333 0.0000000 N Fe 1.7315E+03 BCC_A2 0.0000000 0.9025615 4.0225E+01 M23C6 0.0000000 0.1302203 1.7897E+01 LAVES_PHASE 0.0000000 0.5319007 MULTIPHASE OPTION ? MULTIPHASE OPTION ? set w(11)=3 ! MULTIPHASE OPTION ? compute print brief print mol ! *** MULTIPHASE - Stage 1* Results *** Temperature = 873.0000 K Estimate of Stage 1* calculational inaccuracy in species mole amount ni (ignoring inaccuracies in data) = Errabs + Errrel * ni where Errabs = 5.0E-06 Errrel = 5.6E-06 Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg C -5.553701E+04 4.754559E-04 8.325701E+00 1.000000E-01 Si -1.712468E+05 5.674960E-11 1.068167E+01 3.000000E-01 Mn -7.026432E+04 6.250951E-05 9.101169E+00 5.000000E-01 Cr -3.642421E+04 6.617090E-03 1.730902E+02 9.000000E+00 Mo undef undef 0.000000E+00 0.000000E+00 Ni undef undef 0.000000E+00 0.000000E+00 V undef undef 0.000000E+00 0.000000E+00 W -4.736056E+04 1.466640E-03 1.631765E+01 3.000000E+00 Nb undef undef 0.000000E+00 0.000000E+00 N undef undef 0.000000E+00 0.000000E+00 Fe -3.484735E+04 8.222693E-03 1.559618E+03 8.710000E+01 Total 1.777135E+03 1.000000E+02 Gibbs Energy = -6.4359193546E+07 J Amount Phase Mole fraction of component within phase compnt moles C Si Mn 1.7025E+03 BCC_A2 0.0000019 0.0062741 0.0052968 4.0225E+01 M23C6 0.2068966 0.0000000 0.0020744 3.4413E+01 LAVES_PHASE 0.0000000 0.0000000 0.0000000 Cr Mo Ni 1.7025E+03 BCC_A2 0.0841771 0.0000000 0.0000000 4.0225E+01 M23C6 0.6249116 0.0000000 0.0000000 3.4413E+01 LAVES_PHASE 0.1348809 0.0000000 0.0000000 V W Nb 1.7025E+03 BCC_A2 0.0000000 0.0019948 0.0000000 4.0225E+01 M23C6 0.0000000 0.0360575 0.0000000 3.4413E+01 LAVES_PHASE 0.0000000 0.3333333 0.0000000 N Fe 1.7025E+03 BCC_A2 0.0000000 0.9022553 4.0225E+01 M23C6 0.0000000 0.1300599 3.4413E+01 LAVES_PHASE 0.0000000 0.5317858 four tungsten wt% Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg C -5.555950E+04 4.739854E-04 8.325701E+00 1.000000E-01 Si -1.711003E+05 5.790651E-11 1.068167E+01 3.000000E-01 Mn -7.015410E+04 6.346597E-05 9.101169E+00 5.000000E-01 Cr -3.641712E+04 6.623555E-03 1.730902E+02 9.000000E+00 Mo undef undef 0.000000E+00 0.000000E+00 Ni undef undef 0.000000E+00 0.000000E+00 V undef undef 0.000000E+00 0.000000E+00 W -4.736181E+04 1.466387E-03 2.175687E+01 4.000000E+00 Nb undef undef 0.000000E+00 0.000000E+00 N undef undef 0.000000E+00 0.000000E+00 Fe -3.485121E+04 8.218320E-03 1.541712E+03 8.610000E+01 Total 1.764668E+03 1.000000E+02 Gibbs Energy = -6.3992782383E+07 J Amount Phase Mole fraction of component within phase compnt moles C Si Mn 1.6735E+03 BCC_A2 0.0000019 0.0063828 0.0053872 4.0226E+01 M23C6 0.2068966 0.0000000 0.0021267 5.0931E+01 LAVES_PHASE 0.0000000 0.0000000 0.0000000 Cr Mo Ni 1.6735E+03 BCC_A2 0.0842943 0.0000000 0.0000000 4.0226E+01 M23C6 0.6251544 0.0000000 0.0000000 5.0931E+01 LAVES_PHASE 0.1349978 0.0000000 0.0000000 V W Nb 1.6735E+03 BCC_A2 0.0000000 0.0019927 0.0000000 4.0226E+01 M23C6 0.0000000 0.0359267 0.0000000 5.0931E+01 LAVES_PHASE 0.0000000 0.3333333 0.0000000 N Fe 1.6735E+03 BCC_A2 0.0000000 0.9019411 4.0226E+01 M23C6 0.0000000 0.1298957 5.0931E+01 LAVES_PHASE 0.0000000 0.5316689 4 wt % W but no Laves phase, no M6C Temperature = 873.0000 K Estimate of Stage 1* calculational inaccuracy in species mole amount ni (ignoring inaccuracies in data) = Errabs + Errrel * ni where Errabs = 5.0E-06 Errrel = 9.0E-06 Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg C -5.926828E+04 2.843552E-04 8.325701E+00 1.000000E-01 Si -1.702772E+05 6.486032E-11 1.068167E+01 3.000000E-01 Mn -7.074743E+04 5.848450E-05 9.101169E+00 5.000000E-01 Cr -3.629957E+04 6.731701E-03 1.730902E+02 9.000000E+00 Mo undef undef 0.000000E+00 0.000000E+00 Ni undef undef 0.000000E+00 0.000000E+00 V undef undef 0.000000E+00 0.000000E+00 W -3.544320E+04 7.574661E-03 2.175687E+01 4.000000E+00 Nb undef undef 0.000000E+00 0.000000E+00 N undef undef 0.000000E+00 0.000000E+00 Fe -3.493209E+04 8.127249E-03 1.541712E+03 8.610000E+01 Total 1.764668E+03 1.000000E+02 Gibbs Energy = -6.3867340823E+07 J Amount Phase Mole fraction of component within phase compnt moles C Si Mn 1.7244E+03 BCC_A2 0.0000012 0.0061943 0.0052730 4.0231E+01 M23C6 0.2068966 0.0000000 0.0002050 Cr Mo Ni 1.7244E+03 BCC_A2 0.0867909 0.0000000 0.0000000 4.0231E+01 M23C6 0.5822566 0.0000000 0.0000000 V W Nb 1.7244E+03 BCC_A2 0.0000000 0.0107787 0.0000000 4.0231E+01 M23C6 0.0000000 0.0787887 0.0000000 N Fe 1.7244E+03 BCC_A2 0.0000000 0.8909619 4.0231E+01 M23C6 0.0000000 0.1318531