$***************************************************************************** $ $ mc_x_FeCCrMnMoNiSi.tdb $ $ Subset of MatCalc Fe database, version 1.019, created 2012-06-13 $ This database contains thermodynamic data for system Fe-C-Cr-Mn-Mo-Ni-Si. $ $ The database is aimed at being used with the MatCalc examples. $ $ ############################################################################ $ $ requires MatCalc version 5.44.0.008 or higher $ $ ############################################################################ $ $ Copyright by Ernst Kozeschnik (ernst.kozeschnik@tuwien.ac.at) $ $ Editor: Erwin Povoden-Karadeniz (erwin.povoden-karadeniz@tuwien.ac.at) $ $ You are not eligible for distributing or publishing this database. $ $ ########################################################################### $ The following assessments are incorporated in this database: $ $ ... see list of publications in the reference section at the end of this file ... $ The following elements are included in this database: $ $ Fe, C, Cr, Mn, Mo, Ni, Si $ The following phases are included in this database: $ They are listed in the order of their appearance in part D) Thermodynamic model parameters for phases $ For their documentation see part D). $ Documentation and priority rankings suggested by the editor are visible after reading the database and marking the phase of interest. $ $ $ FCC_A1 $ $ Intermetallic phases $ CHI_A12 LAVES_PHASE SIGMA $ $ Carbides $ M23C6 $ $ $***************************************************************************** $ $ A) Definition of elements $ From A. T. Dinsdale, SGTE data for pure elements (REF 0) $ $***************************************************************************** $ $Element Standard state mass [g/mol] enthalpy_298 entropy_298 ELEMENT VA VACUUM 0.0 0.00 0.00 ! ELEMENT C HEX_A9 12.011 1054.0 5.7423 ! ELEMENT CR BCC_A2 51.996 4050.0 23.5429 ! ELEMENT FE BCC_A2 55.847 4489.0 27.2797 ! ELEMENT MN BCC_A12 54.9380 4995.696 32.2206 ! ELEMENT MO BCC_A2 95.94 4589.0 28.56 ! ELEMENT NI FCC_A1 58.69 4787.0 29.7955 ! ELEMENT SI DIA_A4 28.0855 3217.0 18.81 ! $ $***************************************************************************** $ $ B) MatCalc specific commands $ $***************************************************************************** $ $ Defines Fe as reference element REFERENCE_ELEMENT FE ! $ $ This command allows using this database in the free version of MatCalc SET_EVALUATION_STRING mx3374817534 ! $ $ $ ############################################################## $ Enthalpies of vacancy formation - FCC_A1 $ ############################################################## $ $ default is Fe PARAMETER HMVA(FCC_A1,*;0) 273.00 +135000; 6000.00 N REF:151 ! PARAMETER HMVA(FCC_A1,FE:*;0) 273.00 +135000; 6000.00 N REF:151 ! PARAMETER HMVA(FCC_A1,NI:*;0) 273.00 +170000; 6000.00 N REF:pov10 ! $ $ ############################################################## $ Enthalpies of vacancy formation - BCC_A2 $ ############################################################## $ $ default is Fe PARAMETER HMVA(BCC_A2,*;0) 273.00 +163000; 6000.00 N REF:pov10 ! PARAMETER HMVA(BCC_A2,CR:*;0) 273.00 +203000; 6000.00 N REF:pov10 ! PARAMETER HMVA(BCC_A2,FE:*;0) 273.00 +163000; 6000.00 N REF:pov10 ! PARAMETER HMVA(BCC_A2,MN:*;0) 273.00 +101000; 6000.00 N REF:pov10 ! PARAMETER HMVA(BCC_A2,MO:*;0) 273.00 +286000; 6000.00 N REF:pov10 ! $ $***************************************************************************** $ $ C) Gibbs energy functions of elements $ $***************************************************************************** $ $ ########################################################### $ SER (Standard elements references) $ ########################################################### $ $ low T part of next function from REF 156 FUNCTION GHSERCC 273.00 -988.25091-7.39898691*T+1.76583*T*LN(T)-0.01706952*T**2; 350.00 Y -17368.441+170.73*T-24.3*T*LN(T) -4.723E-4*T**2+2562600*T**(-1)-2.643E+8*T**(-2)+1.2E+10*T**(-3); 6000.00 N REF:0 ! FUNCTION GHSERCR 273.00 -8856.94+157.48*T-26.908*T*LN(T) +0.00189435*T**2-1.47721E-6*T**3+139250*T**(-1); 2180.00 Y -34869.344+344.18*T-50*T*LN(T)-2.88526E+32*T**(-9); 6000.00 N REF:0 ! FUNCTION GHSERFE 273.00 +1225.7+124.134*T-23.5143*T*LN(T)-0.00439752*T**2 -5.89269E-8*T**3+77358.5*T**(-1); 1811.00 Y -25383.581+299.31255*T-46*T*LN(T)+2.2960305E+31*T**(-9); 6000.00 N REF:0 ! FUNCTION GHSERMN 273.00 -8115.28+130.059*T-23.4582*T*LN(T) -7.34768E-3*T**2+69827.1*T**(-1); 1519.00 Y -28733.41+312.2648*T-48.0*T*LN(T)+1.656847E+30*T**(-9); 2000.00 N REF:0 ! FUNCTION GHSERMO 273.00 -7746.302+131.9197*T-23.56414*T*LN(T) -0.003443396*T**2+5.662834E-7*T**3-1.309265E-10*T**4+65812.39*T**(-1); 2896.00 Y -30556.41+283.559746*T-42.63829*T*LN(T)-4.849315E+33*T**(-9); 5000.00 N REF:0 ! FUNCTION GHSERNI 273.00 -5179.159+117.854*T-22.096*T*LN(T)-4.8407E-3*T**2; 1728.00 Y -27840.655+279.135*T-43.10*T*LN(T)+1.12754E+31*T**(-9); 3000.00 N REF:0 ! FUNCTION GHSERSI 273.00 -8162.609+137.236859*T-22.8317533*T*LN(T) -1.912904E-3*T**2-0.003552E-6*T**3+176667*T**(-1); 1687.00 Y -9457.642+167.271767*T-27.196*T*LN(T)-4.2037E+30*T**(-9); 3600.00 N REF:0 ! $ $ ########################################################### $ Gibbs energy functions other than SER $ ########################################################### $ $ bcc FUNCTION GMNBCC 273.00 -3235.3+127.85*T-23.7*T*LN(T) -0.00744271*T**2+60000*T**(-1); 1519.00 Y -23188.83+307.7043*T-48*T*LN(T)+1.265152E+30*T**(-9); 2000.00 N REF:0 ! FUNCTION GNIBCC 273.00 +8715.084-3.556*T+GHSERNI#; 6000.00 N REF:0 ! FUNCTION GSIBCC 273.00 +47000-22.5*T+GHSERSI#; 6000.00 N REF:0 ! $ fcc FUNCTION GCRFCC 273.00 +7284+0.163*T+GHSERCR#; 6000.00 N REF:0 ! FUNCTION GFEFCC 273.00 -1462.4+8.282*T-1.15*T*LN(T)+6.4E-04*T**2+GHSERFE#; 1811.00 Y -27098.266+300.25256*T-46*T*LN(T)+2.78854E+31*T**(-9); 6000.00 N REF:0 ! FUNCTION GFECEM 273.00 -10195.860754+690.949887637*T-118.47637*T*LN(T) -0.0007*T**2+590527*T**(-1); 6000.00 N REF:156 ! FUNCTION GMNFCC 273.00 -3439.3+131.884*T-24.5177*T*LN(T) -0.006*T**2+69600*T**(-1); 1519.00 Y -26070.1+309.6664*T-48*T*LN(T)+3.86196E+30*T**(-9); 2000.00 N REF:0 ! FUNCTION GMOFCC 273.00 +15200+0.63*T+GHSERMO#; 6000.00 N REF:63 ! FUNCTION GSIFCC 273.00 +51000-21.8*T+GHSERSI#; 6000.00 N REF:0 ! $ hcp FUNCTION GMOHCP 273.00 +3803.698+131.9197*T-23.56414*T*LN(T) -3.443396E-3*T**2+0.566283E-6*T**3 +65812*T**(-1)-0.130927E-9*T**4; 2896.00 Y -19006.41+283.559746*T-42.63829*T*LN(T) -4849.315E30*T**(-9); 5000.00 N REF:92 ! FUNCTION GHEXTNB 273.00 -8519.35+142.048*T-26.4711*T*LN(T) +0.203475E-3*T**2-0.350119E-6*T**3+93398.8*T**(-1); 6000.00 N REF:19 ! FUNCTION GCOM23C6 273.00 +23*GHSERCO#+6*GHSERCC#+145000+116*T; 6000.00 N REF:73 ! FUNCTION GCRM23C6 273.00 -521983+3622.24*T-620.965*T*LN(T) -0.126431*T**2; 6000.00 N REF:11 ! FUNCTION GFEM23C6 273.00 +7.666667*GFECEM#-1.666667*GHSERCC#+66920-40*T; 6000.00 N REF:15 ! FUNCTION GMNM23C6 273.00 -308065+50.966*T+23*GHSERMN#+6*GHSERCC#; 6000.00 N REF:15 ! FUNCTION GNIM23C6 273.00 +23*GHSERNI#+6*GHSERCC#+210000-84.71*T; 6000.00 N REF:11 ! FUNCTION GVM23C6 273.00 -990367+4330.63*T-728.829*T*LN(T)+5003425*T**(-1); 6000.00 N REF:15 ! FUNCTION ETCFESI 273.00 +63; 6000.00 N REF:92 ! FUNCTION GSSLIQ 273.00 -4001.549+77.905686*T-15.504*T*LN(T)-1.8629E-2*T**2 -2.4942E-7*T**3-113945*T**(-1); 388.36 Y -5285183.35+118449.601*T-19762.4*T*LN(T)+32.79275*T**2 -1.0221416667E-2*T**3+264673500*T**(-1); 428.15 Y -8174995.226+319914.094*T-57607.3*T*LN(T)+135.3045*T**2 -5.2997333333E-2*T**3; 432.25 Y -219408.801+7758.85593*T-1371.85*T*LN(T)+2.845035*T**2 -1.013803333E-3*T**3; 453.15 Y +92539.872-1336.35027*T+202.958*T*LN(T)-0.2531915*T**2 +51.8835E-6*T**3-8202200*T**(-1); 717.00 Y -6889.972+176.37082*T-32*T*LN(T); 1300.00 N REF:0 ! FUNCTION GDIG 273.00 +2*GHSERCU#+GHSERSS#-73851.5-97.82124*T+8.1715*T*LN(T); 3000.00 N REF:82 ! $ FUNCTION UNDEF 273.00 +1e-8; 6000.00 N ! $ $***************************************************************************** $***************************************************************************** $ $ D) Thermodynamic model parameters for phases $ $***************************************************************************** $***************************************************************************** $ $################################################################################## $ THERMODYNAMIC PARAMETERS: FCC_A1 $################################################################################## $ TYPE_DEFINITION ' GES A_P_D FCC_A1 MAGNETIC -3.0 0.28 ! PHASE FCC_A1 %' 2 1 1 > Face-centered cubic Austenite phase with Va on interstitial sublattice; V- and/or W-rich MC carbo-nitride phase is denoted "fcc_A1#01" in the MatCalc databases, with C and N on substitutional sublattice. MC carbo-nitride composition sets can be defined by the user (syntax see top of database). Typically MC is precipitating on dislocations and/or lath boundaries. MC is an important hardening phase in many types of steel. >> 6 ! CONSTITUENT FCC_A1 : CR,FE%,MN,MO,NI,SI : C,VA% : ! $------------------------------------------------------------------- $ FCC_A1 endmember compounds with VA $------------------------------------------------------------------- PARAMETER G(FCC_A1,CR:VA;0) 273.00 +7284+0.163*T+GHSERCR#; 6000.00 N REF:0 ! PARAMETER G(FCC_A1,FE:VA;0) 273.00 -1462.4+8.282*T-1.15*T*LN(T) +0.00064*T**2+GHSERFE#; 1811.00 Y -1713.815+0.94001*T+0.4925095E+31*T**(-9)+GHSERFE#; 6000.00 N REF:0 ! PARAMETER G(FCC_A1,MN:VA;0) 273.00 -3439.3+131.884*T-24.5177*T*LN(T) -0.006*T**2+69600*T**(-1); 1519.00 Y -26070.1+309.6664*T-48*T*LN(T)+3.86196E+30*T**(-9); 2000.00 N REF:66 ! PARAMETER G(FCC_A1,MO:VA;0) 273.00 +15200+0.63*T+GHSERMO#; 5000.00 N REF:0 ! PARAMETER G(FCC_A1,NI:VA;0) 273.00 +GHSERNI#; 3000.00 N REF:0 ! PARAMETER G(FCC_A1,SI:VA;0) 273.00 +51000-21.8*T+GHSERSI#; 3600.00 N REF:0 ! $------------------------------------------------------------------- $ FCC_A1 endmember compounds with B $------------------------------------------------------------------- $------------------------------------------------------------------- $ FCC_A1 endmember compounds with C $------------------------------------------------------------------- PARAMETER G(FCC_A1,CR:C;0) 273.00 +GHSERCR#+GHSERCC#+1200-1.94*T; 6000.00 N REF:11 ! PARAMETER G(FCC_A1,FE:C;0) 273.00 +77207-15.877*T+GFEFCC#+GHSERCC#; 6000.00 N REF:11 ! PARAMETER G(FCC_A1,MO:C;0) 273.00 -7500-8.3*T-750000*T**(-1) +GHSERMO#+GHSERCC#; 6000.00 N REF:17 ! PARAMETER G(FCC_A1,MN:C;0) 273.00 +502+15.261*T+GHSERMN#+GHSERCC#; 6000.00 N REF:15 ! PARAMETER G(FCC_A1,NI:C;0) 273.00 +GHSERNI#+GHSERCC#+62000-7.6*T; 6000.00 N REF:11 ! PARAMETER G(FCC_A1,SI:C;0) 273.00 +GHSERSI#+GHSERCC#-20510+38.7*T; 6000.00 N REF:24 ! $------------------------------------------------------------------- $ FCC_A1 endmember compounds with N $------------------------------------------------------------------- $******************** binary interactions *************************** $------------------------------------------------------------------- $ FCC_A1 binary interactions with VA $------------------------------------------------------------------- PARAMETER L(FCC_A1,CR,FE:VA;0) 273.00 +10833-7.477*T; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,CR,FE:VA;1) 273.00 +1410; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,CR,MN:VA;0) 273.00 -19088+17.5423*T; 6000.00 N REF:22 ! PARAMETER L(FCC_A1,CR,MO:VA;0) 273.00 +28890-7.962*T; 6000.00 N REF:12 ! PARAMETER L(FCC_A1,CR,MO:VA;1) 273.00 +5974-2.428*T; 6000.00 N REF:12 ! PARAMETER L(FCC_A1,CR,NI:VA;0) 273.00 +8030-12.8801*T; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,CR,NI:VA;1) 273.00 +33080-16.0362*T; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,CR,SI:VA;0) 273.00 -120000+10.69527*T; 6000.00 N REF:46 ! PARAMETER L(FCC_A1,CR,SI:VA;1) 273.00 -47614.7+12.17363*T; 6000.00 N REF:46 ! PARAMETER L(FCC_A1,FE,MN:VA;0) 273.00 -7762+3.865*T; 6000.00 N REF:15 ! PARAMETER L(FCC_A1,FE,MN:VA;1) 273.00 -259; 6000.00 N REF:15 ! PARAMETER L(FCC_A1,FE,MO:VA;0) 273.00 +28347-17.691*T; 6000.00 N REF:27 ! PARAMETER L(FCC_A1,FE,NI:VA;0) 273.00 -12054.355+3.27413*T; 6000.00 N REF:20 ! PARAMETER L(FCC_A1,FE,NI:VA;1) 273.00 +11082.1315-4.45077*T; 6000.00 N REF:20 ! PARAMETER L(FCC_A1,FE,NI:VA;2) 273.00 -725.805174; 6000.00 N REF:20 ! PARAMETER L(FCC_A1,FE,SI:VA;0) 273.00 -125248+41.116*T; 6000.00 N REF:25 ! PARAMETER L(FCC_A1,FE,SI:VA;1) 273.00 -142707.6; 6000.00 N REF:25 ! PARAMETER L(FCC_A1,FE,SI:VA;2) 273.00 +89907.3; 6000.00 N REF:25 ! PARAMETER L(FCC_A1,MN,MO:VA;0) 273.00 -22300; 6000.00 N REF:23 ! PARAMETER L(FCC_A1,MN,NI:VA;0) 273.00 -58173+10.5*T; 6000.00 N REF:23 ! PARAMETER L(FCC_A1,MN,NI:VA;1) 273.00 +6300; 6000.00 N REF:23 ! PARAMETER L(FCC_A1,MN,SI:VA;0) 273.00 -101253; 6000.00 N REF:150 ! PARAMETER L(FCC_A1,MN,SI:VA;1) 273.00 +17991; 6000.00 N REF:150 ! PARAMETER L(FCC_A1,MO,NI:VA;0) 273.00 +4803.7-5.96*T; 6000.00 N REF:39 ! PARAMETER L(FCC_A1,MO,NI:VA;1) 273.00 +10880; 6000.00 N REF:39 ! PARAMETER L(FCC_A1,MO,SI:VA;0) 273.00 -60000+5*T; 6000.00 N REF:pov09 ! PARAMETER L(FCC_A1,NI,SI:VA;0) 273.00 -200600+33.45*T; 6000.00 N REF:33 ! PARAMETER L(FCC_A1,NI,SI:VA;1) 273.00 -92460+12.78*T; 6000.00 N REF:33 ! $------------------------------------------------------------------- $ FCC_A1 binary interactions with C $------------------------------------------------------------------- PARAMETER L(FCC_A1,CR,FE:C;0) 273.00 -74319+3.2353*T; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,CR,MN:C;0) 273.00 -19088+17.5423*T; 6000.00 N REF:141 ! PARAMETER L(FCC_A1,CR,MO:C;0) 273.00 +20000-70*T; 6000.00 N REF:pov11 ! PARAMETER L(FCC_A1,CR,NI:C;0) 273.00 -125935+95*T; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,FE,MN:C;0) 273.00 +34052-23.467*T; 6000.00 N REF:15 ! PARAMETER L(FCC_A1,FE,MO:C;0) 273.00 +6000; 6000.00 N REF:27 ! PARAMETER L(FCC_A1,FE,NI:C;0) 273.00 +49074-7.32*T; 6000.00 N REF:20 ! PARAMETER L(FCC_A1,FE,NI:C;1) 273.00 -25800; 6000.00 N REF:20 ! PARAMETER L(FCC_A1,FE,SI:C;0) 273.00 +226100-34.25*T; 6000.00 N REF:25 ! PARAMETER L(FCC_A1,FE,SI:C;1) 273.00 -202400; 6000.00 N REF:25 ! PARAMETER L(FCC_A1,MO,NI:C;0) 273.00 +1e-8; 6000.00 N REF:pov11 ! $------------------------------------------------------------------- $ FCC_A1 binary interactions with N $------------------------------------------------------------------- $------------------------------------------------------------------- $ FCC_A1 binary interactions with B,VA $------------------------------------------------------------------- $------------------------------------------------------------------- $ FCC_A1 binary interactions with C,VA $------------------------------------------------------------------- PARAMETER L(FCC_A1,CR:C,VA;0) 273.00 -11977+6.8194*T; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,FE:C,VA;0) 273.00 -34671; 6000.00 N REF:11 ! PARAMETER L(FCC_A1,MN:C,VA;0) 273.00 -43433; 6000.00 N REF:15 ! PARAMETER L(FCC_A1,MO:C,VA;0) 273.00 -41300; 6000.00 N REF:17 ! PARAMETER L(FCC_A1,NI:C,VA;0) 273.00 -14902+7.5*T; 6000.00 N REF:11 ! $------------------------------------------------------------------- $ FCC_A1 binary interactions with N,VA $------------------------------------------------------------------- $------------------------------------------------------------------- $ FCC_A1 binary interactions with C,N $------------------------------------------------------------------- $******************** ternary interactions *************************** $------------------------------------------------------------------- $ FCC_A1 ternary interactions with VA $------------------------------------------------------------------- PARAMETER L(FCC_A1,CR,FE,MN:VA;0) 273.00 +6715-10.393*T; 6000.00 N REF:22 ! PARAMETER L(FCC_A1,CR,FE,MO:VA;0) 273.00 +1E-7; 6000.00 N REF:12 ! PARAMETER L(FCC_A1,CR,FE,NI:VA;0) 273.00 +10000-10*T; 6000.00 N REF:13 ! PARAMETER L(FCC_A1,CR,FE,NI:VA;1) 273.00 -6500; 6000.00 N REF:13 ! PARAMETER L(FCC_A1,CR,FE,NI:VA;2) 273.00 +48000; 6000.00 N REF:13 ! PARAMETER L(FCC_A1,CR,FE,SI:VA;0) 273.00 -79000; 6000.00 N REF:pov09 ! PARAMETER L(FCC_A1,FE,MN,MO:VA;0) 273.00 +30000; 6000.00 N REF:23 ! PARAMETER L(FCC_A1,FE,MN,MO:VA;1) 273.00 +1E-7; 6000.00 N REF:23 ! PARAMETER L(FCC_A1,FE,MN,MO:VA;2) 273.00 +1E-7; 6000.00 N REF:23 ! PARAMETER L(FCC_A1,FE,MN,NI:VA;0) 273.00 +1E-7; 6000.00 N REF:12 ! PARAMETER L(FCC_A1,FE,MN,SI:VA;0) 273.00 -56655-55.613*T; 6000.00 N REF:53 ! PARAMETER L(FCC_A1,FE,MO,NI:VA;0) 273.00 -204791+163.93*T; 6000.00 N REF:41 ! PARAMETER L(FCC_A1,FE,MO,NI:VA;1) 273.00 +11555-55.81*T; 6000.00 N REF:41 ! PARAMETER L(FCC_A1,FE,MO,NI:VA;2) 273.00 +77975; 6000.00 N REF:41 ! PARAMETER L(FCC_A1,FE,MO,SI:VA;0) 273.00 +1E-7; 6000.00 N REF:12 ! PARAMETER L(FCC_A1,FE,NI,SI:VA;0) 273.00 -40000; 6000.00 N REF:28 ! PARAMETER L(FCC_A1,FE,NI,SI:VA;1) 273.00 -80000; 6000.00 N REF:28 ! PARAMETER L(FCC_A1,FE,NI,SI:VA;2) 273.00 +1E-7; 6000.00 N REF:28 ! $------------------------------------------------------------------- $ FCC_A1 ternary interactions with C $------------------------------------------------------------------- $------------------------------------------------------------------- $ FCC_A1 ternary interactions with N $------------------------------------------------------------------- $------------------------------------------------------------------- $ FCC_A1 ternary interactions with C,N,VA $------------------------------------------------------------------- $------------------------------------------------------------------- $ FCC_A1 quaternary interactions with VA $------------------------------------------------------------------- PARAMETER L(FCC_A1,CR,FE,MO,NI:VA;0) 273.00 -150000; 6000.00 N REF:23 ! $------------------------------------------------------------------- $ FCC_A1 magnetic contribution $------------------------------------------------------------------- PARAMETER TC(FCC_A1,CR:VA;0) 273.00 -1109; 6000.00 N REF:11 ! PARAMETER BMAGN(FCC_A1,CR:VA;0) 273.00 -2.46; 6000.00 N REF:11 ! PARAMETER TC(FCC_A1,CR,NI:VA;0) 273.00 -3605; 6000.00 N REF:11 ! PARAMETER BMAGN(FCC_A1,CR,NI:VA;0) 273.00 -1.91; 6000.00 N REF:11 ! PARAMETER TC(FCC_A1,CR,NI:C;0) 273.00 -3605; 3000.00 N REF:11 ! PARAMETER BMAGN(FCC_A1,CR,NI:C;0) 273.00 -1.91; 3000.00 N REF:11 ! PARAMETER TC(FCC_A1,FE:VA;0) 273.00 -201; 6000.00 N REF:20 ! PARAMETER BMAGN(FCC_A1,FE:VA;0) 273.00 -2.1; 6000.00 N REF:20 ! PARAMETER TC(FCC_A1,FE,MN:VA;0) 273.00 -2282; 6000.00 N REF:92 ! PARAMETER TC(FCC_A1,FE,MN:VA;1) 273.00 -2068; 6000.00 N REF:92 ! PARAMETER BMAGN(FCC_A1,FE,MN:VA;0) 273.00 +1e-8; 6000.00 N REF:92 ! PARAMETER TC(FCC_A1,FE,NI:VA;0) 273.00 +2133; 6000.00 N REF:20 ! PARAMETER TC(FCC_A1,FE,NI:VA;1) 273.00 -682; 6000.00 N REF:20 ! PARAMETER BMAGN(FCC_A1,FE,NI:VA;0) 273.00 +9.55; 6000.00 N REF:20 ! PARAMETER BMAGN(FCC_A1,FE,NI:VA;1) 273.00 +7.23; 6000.00 N REF:20 ! PARAMETER BMAGN(FCC_A1,FE,NI:VA;2) 273.00 +5.93; 6000.00 N REF:20 ! PARAMETER BMAGN(FCC_A1,FE,NI:VA;3) 273.00 +6.18; 6000.00 N REF:20 ! PARAMETER TC(FCC_A1,FE,MN,SI:VA;0) 273.00 +13854; 6000.00 N REF:53 ! PARAMETER TC(FCC_A1,FE:C;0) 273.00 -201; 6000.00 N REF:11 ! PARAMETER BMAGN(FCC_A1,FE:C;0) 273.00 -2.1; 6000.00 N REF:11 ! PARAMETER TC(FCC_A1,MN:VA;0) 273.00 -1620; 2000.00 N REF:0 ! PARAMETER BMAGN(FCC_A1,MN:VA;0) 273.00 -1.86; 2000.00 N REF:0 ! PARAMETER TC(FCC_A1,NI:VA;0) 273.00 +633; 6000.00 N REF:0 ! PARAMETER BMAGN(FCC_A1,NI:VA;0) 273.00 +0.52; 6000.00 N REF:0 ! PARAMETER TC(FCC_A1,NI:C;0) 273.00 +633; 6000.00 N REF:11 ! PARAMETER BMAGN(FCC_A1,NI:C;0) 273.00 +0.52; 6000.00 N REF:11 ! $ $ $################################################################################## $ THERMODYNAMIC PARAMETERS: CHI_A12 $################################################################################## $ PHASE CHI_A12 % 3 24 10 24 > Alpha-Mn structure closely related to topologically close-packed sigma, Mu, and R-Phase. Unit cell contains 58 atoms. Optimized for use in thermokinetic precipitation simulations in austenitic stainless steel (pov12). >> 3 ! CONSTITUENT CHI_A12 : CR,FE% : CR,MO% : CR,FE,MO,NI : ! PARAMETER G(CHI_A12,CR:CR:CR;0) 273.00 +48*GCRFCC#+10*GHSERCR# +109000+123*T; 6000.00 N REF:126 ! PARAMETER G(CHI_A12,CR:CR:FE;0) 273.00 +24*GCRFCC#+10*GHSERCR#+24*GFEFCC# +500000; 6000.00 N REF:126 ! PARAMETER G(CHI_A12,CR:CR:MO;0) 273.00 +24*GCRFCC#+10*GHSERCR#+24*GMOFCC# +500000; 6000.00 N REF:126 ! PARAMETER G(CHI_A12,CR:MO:CR;0) 273.00 +24*GCRFCC#+10*GHSERMO#+24*GCRFCC# -26000; 6000.00 N REF:126 ! PARAMETER G(CHI_A12,CR:MO:FE;0) 273.00 +24*GCRFCC#+10*GHSERMO#+24*GFEFCC# +500000; 6000.00 N REF:126 ! PARAMETER G(CHI_A12,CR:MO:MO;0) 273.00 +24*GCRFCC#+10*GHSERMO#+24*GMOFCC# +500000; 6000.00 N REF:126 ! PARAMETER G(CHI_A12,FE:CR:CR;0) 273.00 +24*GFEFCC#+10*GHSERCR#+24*GCRFCC# +120000-246*T; 6000.00 N REF:pov12 ! PARAMETER G(CHI_A12,FE:CR:FE;0) 273.00 +48*GFEFCC#+10*GHSERCR# +57300-100*T; 6000.00 N REF:111 ! PARAMETER G(CHI_A12,FE:CR:MO;0) 273.00 +24*GFEFCC#+10*GHSERCR#+24*GMOFCC# +100000; 6000.00 N REF:111 ! PARAMETER G(CHI_A12,FE:MO:CR;0) 273.00 +24*GFEFCC#+10*GHSERMO#+24*GCRFCC# +20855-385*T; 6000.00 N REF:111 ! PARAMETER G(CHI_A12,FE:MO:FE;0) 273.00 +48*GFEFCC#+10*GHSERMO# +305210-270*T; 6000.00 N REF:111 ! PARAMETER G(CHI_A12,FE:MO:MO;0) 273.00 +24*GFEFCC#+10*GHSERMO#+24*GMOFCC# +97300-100*T; 6000.00 N REF:111 ! PARAMETER G(CHI_A12,CR:CR:NI;0) 273.00 +24*GCRFCC#+10*GHSERCR# +24*GHSERNI#; 6000.00 N REF:pov09 ! PARAMETER G(CHI_A12,CR:MO:NI;0) 273.00 +24*GCRFCC#+10*GHSERMO# +24*GHSERNI#+150000-340*T; 6000.00 N REF:pov09 ! PARAMETER G(CHI_A12,FE:CR:NI;0) 273.00 +24*GFEFCC#+10*GHSERCR# +24*GHSERNI#+150000-340*T; 6000.00 N REF:pov12 ! PARAMETER G(CHI_A12,FE:MO:NI;0) 273.00 +24*GFEFCC#+10*GHSERMO# +24*GHSERNI#-430*T; 6000.00 N REF:pov12 ! $ $################################################################################## $ THERMODYNAMIC PARAMETERS: LAVES_PHASE $################################################################################## $ PHASE LAVES_PHASE % 2 2 1 > MgZn2-type intermetallic phase, topologically close-packed (TCP). Low ductility and brittle fracture characteristics at low temperatures. Simplified description without distinguishing cubic C15, hexagonal C14 and dihexagonal C36 types. Optimized for use in thermokinetic precipitation simulations in austenitic stainless steel (pov12). >> 4 ! CONSTITUENT LAVES_PHASE : CR,FE%,MN,MO,NI,SI : CR,FE,MN,MO%,NI,SI : ! PARAMETER G(LAVES_PHASE,CR:CR;0) 273.00 +3*GHSERCR#+15000; 6000.00 N REF:21 ! PARAMETER G(LAVES_PHASE,CR:FE;0) 273.00 +2*GHSERCR#+GHSERFE#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,CR:MN;0) 273.00 +2*GHSERCR#+GHSERFE#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,CR:NI;0) 273.00 +2*GHSERCR#+GHSERNI#+50000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,CR:SI;0) 273.00 +2*GHSERCR#+GHSERSI#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,CR:MO;0) 273.00 -2000-11*T+2*GCRFCC#+GHSERMO#; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,FE:CR;0) 273.00 +2*GHSERFE#+GHSERCR#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,FE:FE;0) 273.00 +3*GHSERFE#+25000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,FE:MN;0) 273.00 +2*GHSERFE#+GHSERMN#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,FE:MO;0) 273.00 -12000+2*GFEFCC#+GHSERMO#; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,FE:NI;0) 273.00 +2*GHSERFE#+GHSERNI#+50000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,FE:SI;0) 273.00 +2*GHSERFE#+GHSERSI#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MN:CR;0) 273.00 +2*GHSERMN#+GHSERCR#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MN:FE;0) 273.00 +2*GHSERMN#+GHSERFE#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MN:MN;0) 273.00 +3*GHSERMN#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MN:MO;0) 273.00 +2*GHSERMN#+GHSERMO#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MN:NI;0) 273.00 +2*GHSERMN#+GHSERNI#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,MN:SI;0) 273.00 +2*GHSERMN#+GHSERSI#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MO:CR;0) 273.00 +2*GHSERMO#+GHSERCR#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MO:FE;0) 273.00 +2*GHSERMO#+GHSERFE#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MO:MN;0) 273.00 +2*GHSERMO#+GHSERMN#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MO:MO;0) 273.00 +3*GHSERMO#+50000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,MO:NI;0) 273.00 +2*GHSERMO#+GHSERNI#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,MO:SI;0) 273.00 +2*GHSERMO#+GHSERSI#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,NI:CR;0) 273.00 +2*GHSERNI#+GHSERCR#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,NI:FE;0) 273.00 +2*GHSERNI#+GHSERFE#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,NI:MN;0) 273.00 +2*GHSERNI#+GHSERMN#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,NI:MO;0) 273.00 +2*GHSERNI#+GHSERMO#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,NI:NI;0) 273.00 +3*GHSERNI#+GHSERNI#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,NI:SI;0) 273.00 +2*GHSERNI#+GHSERSI#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,SI:CR;0) 273.00 +2*GHSERSI#+GHSERCR#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,SI:FE;0) 273.00 +2*GHSERSI#+GHSERFE#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,SI:MN;0) 273.00 +2*GHSERSI#+GHSERMN#+15000; 6000.00 N REF:pov10 ! PARAMETER G(LAVES_PHASE,SI:MO;0) 273.00 +2*GHSERSI#+GHSERMO#+74000-6.0*T; 6000.00 N REF:koze ! PARAMETER G(LAVES_PHASE,SI:NI;0) 273.00 +2*GHSERSI#+GHSERNI#+15000; 6000.00 N REF:pov12 ! PARAMETER G(LAVES_PHASE,SI:SI;0) 273.00 +3*GHSERSI#+15000; 6000.00 N REF:pov10 ! $----------------------Interaction parameters---------------------- PARAMETER L(LAVES_PHASE,CR:CR,FE;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,CR,FE:CR;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,FE:CR,FE;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,CR,FE:FE;0) 273.00 +70000; 6000.00 N REF:pov10 ! $ $ PARAMETER L(LAVES_PHASE,CR,FE:MO;0) 273.00 -12500; 6000.00 N REF:koze ! PARAMETER L(LAVES_PHASE,FE,SI:MO;0) 273.00 -870000+400*T; 6000.00 N REF:koze ! $ PARAMETER L(LAVES_PHASE,CR:CR,MN;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,CR,MN:CR;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,MN:CR,MN;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,CR,MN:MN;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,CR,MN:MO;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,MN:MN,FE;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,FE,MN:MN;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,FE:FE,MN;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,FE,MN:FE;0) 273.00 +70000; 6000.00 N REF:pov10 ! PARAMETER L(LAVES_PHASE,FE,MN:MO;0) 273.00 +70000; 6000.00 N REF:pov10 ! $ PARAMETER L(LAVES_PHASE,CR:CR,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,NI:CR,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,CR,NI:CR;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,CR,NI:NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,CR,SI:NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! $ PARAMETER L(LAVES_PHASE,NI:CR,FE;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,CR,FE:NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,FE:CR,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,CR,NI:FE;0) 273.00 +70000; 6000.00 N REF:pov12 ! $ PARAMETER L(LAVES_PHASE,FE,NI:FE;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,FE,NI:NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,FE:FE,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,NI:FE,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,NI:CR,MN;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,CR,MN:NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,MN:CR,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,CR,NI:MN;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,MN,NI:MN;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,MN,NI:NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,MN:MN,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,NI:MN,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,NI:FE,MN;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,FE,MN:NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,FE:MN,NI;0) 273.00 +70000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,MN,NI:FE;0) 273.00 +70000; 6000.00 N REF:pov12 ! $ PARAMETER L(LAVES_PHASE,CR:MO,NI;0) 273.00 -108000; 6000.00 N REF:pov12 ! PARAMETER L(LAVES_PHASE,FE:MO,NI;0) 273.00 -108000; 6000.00 N REF:pov12 ! $ $################################################################################## $ THERMODYNAMIC PARAMETERS: SIGMA $################################################################################## $ PHASE SIGMA % 3 8 4 18 > Intermetallic transition elements compound with broad solid solubility range. Tetragonal with five non-equivalent sites. A simplified 3-sublattice description is used. Hard and brittle topologically close-packed (TCP) precipitates. Optimized for use in thermokinetic precipitation simulations in austenitic stainless steel (pov12). For typical austenitic stainless steels (e.g. grade 316) use mayor constituents :FE%:CR%:: >> 4 ! CONSTITUENT SIGMA : FE%,MN,NI:CR%,MO:CR,FE,MN,MO,NI,SI :! PARAMETER G(SIGMA,FE:CR:CR;0) 273.00 +8*GFEFCC#+22*GHSERCR#+92300-95.96*T; 6000.00 N REF:62 ! PARAMETER G(SIGMA,FE:CR:FE;0) 273.00 +117300-95.96*T+8*GFEFCC# +4*GHSERCR#+18*GHSERFE#; 6000.00.00 N REF:62 ! PARAMETER G(SIGMA,FE:CR:MN;0) 273.00 -83639.5+18.26*T+8*GFEFCC# +4*GHSERCR#+18*GMNBCC#; 6000.00.00 N REF:22 ! PARAMETER G(SIGMA,FE:CR:MO;0) 273.00 +8*GFEFCC#+4*GHSERCR# +18*GHSERMO#+312580-260*T; 6000.00 N REF:111 ! PARAMETER G(SIGMA,FE:CR:NI;0) 273.00 -50000+32*T+8*GFEFCC#+4*GHSERCR# +18*GNIBCC#; 6000.00 N REF:pov12 ! PARAMETER G(SIGMA,FE:CR:SI;0) 273.00 +8*GFEFCC#+4*GHSERCR# +18*GSIBCC#-1100000+275*T; 6000.00 N REF:43 ! PARAMETER G(SIGMA,FE:MO:CR;0) 273.00 +8*GFEFCC#+4*GHSERMO#+18*GHSERCR# +488480-360*T; 6000.00 N REF:111 ! PARAMETER G(SIGMA,FE:MO:FE;0) 273.00 -1813-27.272*T+8*GFEFCC# +4*GHSERMO#+18*GHSERFE#; 6000.00 N REF:27 ! PARAMETER G(SIGMA,FE:MO:MN;0) 273.00 -50000+8*GFEFCC#+4*GHSERMO#+18*GMNBCC#; 6000.00 N REF:pov12 ! PARAMETER G(SIGMA,FE:MO:MO;0) 273.00 +83326-69.618*T+8*GFEFCC#+22*GHSERMO#; 6000.00 N REF:27 ! PARAMETER G(SIGMA,FE:MO:NI;0) 273.00 +8*GFEFCC#+18*GNIBCC#+4*GHSERMO# +408600-200*T; 6000.00 N REF:41 ! PARAMETER G(SIGMA,FE:MO:SI;0) 273.00 +8*GFEFCC#+4*GHSERMO#+18*GSIBCC#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,MN:CR:CR;0) 273.00 +65859.5+8*GMNFCC#+22*GHSERCR#; 6000.00 N REF:62 ! PARAMETER G(SIGMA,MN:CR:FE;0) 273.00 +8*GMNFCC#+4*GHSERCR#+18*GHSERFE# -95576-45.1955*T; 6000.00 N REF:62 ! PARAMETER G(SIGMA,MN:CR:MN;0) 273.00 -172946+69.0245*T+8*GMNFCC# +4*GHSERCR#+18*GMNBCC#; 6000.00 N REF:62 ! PARAMETER G(SIGMA,MN:CR:MO;0) 273.00 +8*GMNFCC#+4*GHSERCR# +18*GHSERMO#+312580-260*T; 6000.00 N REF:111 ! PARAMETER G(SIGMA,MN:CR:NI;0) 273.00 +8*GMNFCC#+4*GHSERCR#+18*GNIBCC#; 6000.00 N REF:13 ! PARAMETER G(SIGMA,MN:CR:SI;0) 273.00 +8*GMNFCC#+4*GHSERCR#+18*GSIBCC#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,MN:MO:CR;0) 273.00 +8*GMNFCC#+4*GHSERMO#+18*GHSERCR#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,MN:MO:FE;0) 273.00 -50000+8*GMNFCC#+4*GHSERMO#+18*GHSERFE#; 6000.00 N REF:pov12 ! PARAMETER G(SIGMA,MN:MO:MN;0) 273.00 +8*GMNFCC#+4*GHSERMO#+18*GMNBCC#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,MN:MO:MO;0) 273.00 +8*GMNFCC#+22*GHSERMO#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,MN:MO:NI;0) 273.00 +8*GMNFCC#+18*GNIBCC#+4*GHSERMO#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,MN:MO:SI;0) 273.00 +8*GMNFCC#+4*GHSERMO#+18*GSIBCC#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,NI:CR:CR;0) 273.00 +8*GHSERNI#+22*GHSERCR#+180000-170*T; 6000.00 N REF:13 ! PARAMETER G(SIGMA,NI:CR:FE;0) 273.00 +8*GHSERNI#+4*GHSERCR#+18*GHSERFE#-50000+32*T; 6000.00 N REF:pov12 ! PARAMETER G(SIGMA,NI:CR:MN;0) 273.00 +8*GHSERNI#+4*GHSERCR#+18*GMNBCC#; 6000.00 N REF:13 ! PARAMETER G(SIGMA,NI:CR:MO;0) 273.00 +8*GHSERNI#+4*GHSERCR#+18*GHSERMO# +38189-120*T; 6000.00 N REF:39 ! PARAMETER G(SIGMA,NI:CR:NI;0) 273.00 +8*GHSERNI#+4*GHSERCR#+18*GNIBCC#+175400; 6000.00 N REF:13 ! PARAMETER G(SIGMA,NI:CR:SI;0) 273.00 +8*GHSERNI#+4*GHSERCR#+18*GSIBCC#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,NI:MO:CR;0) 273.00 +8*GHSERNI#+4*GHSERMO#+18*GHSERCR#+386423; 6000.00 N REF:39 ! PARAMETER G(SIGMA,NI:MO:FE;0) 273.00 +8*GHSERNI#+18*GHSERFE#+4*GHSERMO# +658600-200*T; 6000.00 N REF:41 ! PARAMETER G(SIGMA,NI:MO:MN;0) 273.00 +8*GHSERNI#+4*GHSERMO#+18*GMNBCC#; 6000.00 N REF:pov10 ! PARAMETER G(SIGMA,NI:MO:MO;0) 273.00 +8*GHSERNI#+22*GHSERMO#+85662; 6000.00 N REF:39 ! PARAMETER G(SIGMA,NI:MO:NI;0) 273.00 +8*GHSERNI#+4*GHSERMO#+18*GNIBCC#-16385; 6000.00 N REF:39 ! PARAMETER G(SIGMA,NI:MO:SI;0) 273.00 +8*GHSERNI#+4*GHSERMO#+18*GSIBCC#; 6000.00 N REF:pov10 ! $----------------------Interaction parameters---------------------- PARAMETER L(SIGMA,FE:CR:CR,MO;0) 273.00 -148000; 6000.00 N REF:111 ! PARAMETER L(SIGMA,FE:CR:CR,NI;0) 273.00 +1e-8; 6000.00 N REF:pov12 ! PARAMETER L(SIGMA,FE:CR:FE,NI;0) 273.00 +1e-8; 6000.00 N REF:pov12 ! PARAMETER L(SIGMA,FE:CR:CR,SI;0) 273.00 -2115000+155*T; 6000.00 N REF:43 ! PARAMETER L(SIGMA,FE:CR:FE,SI;0) 273.00 -2015000+155*T; 6000.00 N REF:43 ! PARAMETER L(SIGMA,FE:CR:CR,MN;0) 273.00 -1095771+862.0312*T; 6000.00 N REF:111 ! PARAMETER L(SIGMA,FE:CR:FE,MO;0) 273.00 +425000; 6000.00 N REF:pov12 ! PARAMETER L(SIGMA,FE:MO:CR,FE;0) 273.00 -250000+120*T; 6000.00 N REF:pov12 ! PARAMETER L(SIGMA,FE:MO:CR,MO;0) 273.00 +121000; 6000.00 N REF:111 ! PARAMETER L(SIGMA,FE:MO:FE,MO;0) 273.00 +222909; 6000.00 N REF:27 ! PARAMETER L(SIGMA,FE,NI:MO:MO;0) 273.00 -164570-10*T; 6000.00 N REF:41 ! PARAMETER L(SIGMA,MN:CR:CR,MN;0) 273.00 -1095771+862.0312*T; 6000.00 N REF:62 ! $ NOTE: the following interaction parameters are temporary!!! (pov12) PARAMETER L(SIGMA,NI:CR:MO,FE;0) 273.00 -600000-390*T; 6000.00 N REF:pov12 ! PARAMETER L(SIGMA,NI:CR,MO:FE;0) 273.00 -600000-390*T; 6000.00 N REF:pov12 ! $ $################################################################################## $ THERMODYNAMIC PARAMETERS: M23C6 $################################################################################## $ PHASE M23C6 % 3 20 3 6 > Face-centered cubic Cr-rich carbide, can contain significant amounts of W, Mo, V, Ni. Has a large crystallographic unit cell. Common equilibrium carbide in 9-12 mass.% Cr-steels. Precipitation predominantly on prior austenite grain boundaries and lath boundaries. >> 5 ! CONSTITUENT M23C6 : CR%,FE%,MN,NI : CR%,FE%,MN,MO%,NI : C% : ! PARAMETER G(M23C6,CR:CR:C;0) 273.00 +GCRM23C6#; 6000.00 N REF:11 ! PARAMETER G(M23C6,CR:FE:C;0) 273.00 +0.8695652*GCRM23C6# +0.1304348*GFEM23C6#; 6000.00 N REF:11 ! PARAMETER G(M23C6,CR:MN:C;0) 273.00 +0.8695652*GCRM23C6# +0.1304348*GMNM23C6#; 6000.00 N REF:58 ! PARAMETER G(M23C6,CR:MO:C;0) 273.00 +20*GHSERCR#+3*GHSERMO#+6*GHSERCC# -439117-50.0535*T; 6000.00 N REF:61 ! PARAMETER G(M23C6,CR:NI:C;0) 273.00 +0.8695652*GCRM23C6# +0.1304348*GNIM23C6#; 6000.00 N REF:11 ! PARAMETER G(M23C6,FE:CR:C;0) 273.00 +0.1304348*GCRM23C6# +0.8695652*GFEM23C6#; 6000.00 N REF:11 ! PARAMETER G(M23C6,FE:FE:C;0) 273.00 +GFEM23C6#; 6000.00 N REF:11 ! PARAMETER G(M23C6,FE:MN:C;0) 273.00 +0.869565*GFEM23C6# +0.130435*GMNM23C6#; 6000.00 N REF:15 ! PARAMETER G(M23C6,FE:MO:C;0) 273.00 +20*GHSERFE#+3*GHSERMO# +6*GHSERCC#-76351-5.0949*T; 6000.00 N REF:61 ! PARAMETER G(M23C6,FE:NI:C;0) 273.00 +0.8695652*GFEM23C6# +0.1304348*GNIM23C6#; 6000.00 N REF:11 ! PARAMETER G(M23C6,MN:CR:C;0) 273.00 +0.8695652*GMNM23C6# +0.1304348*GCRM23C6#; 6000.00 N REF:58 ! PARAMETER G(M23C6,MN:FE:C;0) 273.00 +0.869565*GMNM23C6# +0.130435*GFEM23C6#; 6000.00 N REF:15 ! PARAMETER G(M23C6,MN:MN:C;0) 273.00 +GMNM23C6#; 6000.00 N REF:15 ! PARAMETER G(M23C6,MN:MO:C;0) 273.00 +20*GHSERMN#+3*GHSERMO# +6*GHSERCC#+UNDEF#; 6000.00 N REF:pov10 ! PARAMETER G(M23C6,MN:NI:C;0) 273.00 +0.869565*GMNM23C6# +0.130435*GNIM23C6#+UNDEF#; 6000.00 N REF:pov10 ! PARAMETER G(M23C6,NI:CR:C;0) 273.00 +0.8695652*GNIM23C6# +0.1304348*GCRM23C6#; 6000.00 N REF:11 ! PARAMETER G(M23C6,NI:FE:C;0) 273.00 +0.869565*GNIM23C6# +0.130435*GFEM23C6#; 6000.00 N REF:pov10 ! PARAMETER G(M23C6,NI:MN:C;0) 273.00 +0.869565*GNIM23C6# +0.130435*GMNM23C6#+UNDEF#; 6000.00 N REF:pov10 ! PARAMETER G(M23C6,NI:MO:C;0) 273.00 +20*GHSERNI#+3*GHSERMO# +6*GHSERCC#; 6000.00 N REF:pov10 ! PARAMETER G(M23C6,NI:NI:C;0) 273.00 +GNIM23C6#; 6000.00 N REF:11 ! $----------------------Interaction parameters---------------------- PARAMETER L(M23C6,CR,FE:CR:C;0) 273.00 -205342+141.6667*T; 6000.00 N REF:11 ! PARAMETER L(M23C6,CR,FE:FE:C;0) 273.00 -205342+141.6667*T; 6000.00 N REF:11 ! PARAMETER L(M23C6,CR,FE:MN:C;0) 273.00 -205342+141.6667*T; 6000.00 N REF:58 ! PARAMETER L(M23C6,CR,MN:CR:C;0) 273.00 -173680+160*T; 6000.00 N REF:58 ! PARAMETER L(M23C6,CR,MN:CR:C;1) 273.00 -286614; 6000.00 N REF:58 ! PARAMETER L(M23C6,CR,MN:FE:C;0) 273.00 -173680+160*T; 6000.00 N REF:58 ! PARAMETER L(M23C6,CR,MN:FE:C;1) 273.00 -286614; 6000.00 N REF:58 ! PARAMETER L(M23C6,CR,MN:MN:C;0) 273.00 -173680+160*T; 6000.00 N REF:58 ! PARAMETER L(M23C6,CR,MN:MN:C;1) 273.00 -286614; 6000.00 N REF:58 ! PARAMETER L(M23C6,CR,NI:CR:C;0) 273.00 +100000; 6000.00 N REF:11 ! PARAMETER L(M23C6,CR,NI:NI:C;0) 273.00 +100000; 6000.00 N REF:11 ! PARAMETER L(M23C6,FE,MN:CR,FE:C;0) 273.00 -100000; 6000.00 N REF:58 ! PARAMETER L(M23C6,FE,MN:CR,MN:C;0) 273.00 -100000; 6000.00 N REF:58 ! PARAMETER L(M23C6,FE,MN:FE,MN:C;0) 273.00 -100000; 6000.00 N REF:15 ! PARAMETER L(M23C6,CR,FE:MO:C;0) 273.00 -177850+153.9050*T; 6000.00 N REF:61 ! PARAMETER L(M23C6,CR,FE:CR,MO:C;0) 273.00 +1E-8; 6000.00 N REF:61 ! PARAMETER L(M23C6,CR,FE:FE,MO:C;0) 273.00 +1E-8; 6000.00 N REF:61 ! $