$ $ mc_sample_ti1.002.tdb $ $ Thermodynamic MatCalc sample titan database, version 1.002, created 2013-02-11 $ $ This database is an excert from mc_ti_v0.005 and contains a selection of published thermodynamic data for Ti-base alloys $ and Ti aluminides, as well as newly assessed data. $ Thermodynamic parameters have been assessed in 2013 at TU Wien $ by Povoden-Karadeniz Erwin. $ $ ############################################################################ $ $ use with MatCalc version 5.51.0.005 or higher is recommended. $ $ ############################################################################ $ $ Copyright holder and editor: Erwin Povoden-Karadeniz (erwin.povoden-karadeniz@tuwien.ac.at) $ $ You may freely use this database for your purpose, but you are not eligible $ for distributing or publishing this database or parts of it. $ $ ########################################################################### $ 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: $ $ Ti, Al, Mo, Nb $ This database has been optimised for Ti-base alloys inside the following limits: $ Temperature: 773 K - 2000 K $ Alloy composition (wt.%): Al<30 Mo<3 Nb<15 $ 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. $ $ LIQUID $ $ BCC_A2 $ HCP_A3 $ FCC_A1 $ Intermetallic Ti-X phases $ BCC_B2 TIAL TI3AL $ $***************************************************************************** $ $ 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 AL FCC_A1 26.98154 4540.0 28.30 ! ELEMENT MO BCC_A2 95.94 4589.0 28.56 ! ELEMENT NB BCC_A2 92.9064 5220.0 36.27 ! ELEMENT TI HCP_A3 47.88 4824.0 30.72 ! $ $***************************************************************************** $ $ B) MatCalc specific commands $ $***************************************************************************** $ $ Defines Fe as Reference element REFERENCE_ELEMENT TI ! $ ATTACH_CONTRIBUTION BCC_B2 BCC_A2 ORDER_DISORDER ! $ $ ############################################################## $ Enthalpies of vacancy formation - BCC_A2 $ ############################################################## $ $ default is Ti PARAMETER HMVA(BCC_A2,*;0) 273.00 +130000; 6000.00 N REF:pov13 ! PARAMETER HMVA(BCC_A2,TI:*;0) 273.00 +130000; 6000.00 N REF:pov13 ! $ $ ############################################################## $ Enthalpies of vacancy formation - HCP_A3 $ ############################################################## $ $ default is Ti PARAMETER HMVA(HCP_A3,*;0) 273.00 +130000; 6000.00 N REF:pov13 ! PARAMETER HMVA(BCC_A2,MO:*;0) 273.00 +286000; 6000.00 N REF:pov10 ! PARAMETER HMVA(BCC_A2,NB:*;0) 273.00 +290000; 6000.00 N REF:pov10 ! $ $***************************************************************************** $ $ C) Gibbs energy functions of elements $ $***************************************************************************** $ $ ########################################################### $ SER (Standard elements References) $ ########################################################### $ FUNCTION GHSERAL 273.00 -7976.15+137.093038*T-24.3671976*T*LN(T) -1.884662E-3*T**2-0.877664E-6*T**3+74092*T**(-1); 700.00 Y -11276.24+223.048446*T-38.5844296*T*LN(T) +18.531982E-3*T**2-5.764227E-6*T**3+74092*T**(-1); 933.47 Y -11278.378+188.684153*T-31.748192*T*LN(T)-1.231E+28*T**(-9); 2900.00 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 GHSERNB 273.00 -8519.353+142.045475*T-26.4711*T*LN(T) +0.203475E-3*T**2-0.35011E-6*T**3+93399*T**(-1); 2750.00 Y -37669.3+271.720843*T-41.77*T*LN(T)+1.52824E+32*T**(-9); 6000.00 N REF:0 ! FUNCTION GHSERTI 273.00 -8059.921+133.615208*T-23.9933*T*LN(T) -4.777975E-3*T**2+1.06716E-07*T**3+72636*T**(-1); 900.00 Y -7811.815+132.988068*T-23.9887*T*LN(T) -4.2033E-3*T**2-9.0876E-08*T**3+42680*T**(-1); 1155.00 Y +908.837+66.976538*T-14.9466*T*LN(T) -8.1465E-3*T**2+2.02715E-07*T**3-1477660*T**(-1); 1941.00 Y -124526.786+638.806871*T-87.2182461*T*LN(T) +8.204849E-3*T**2-3.04747E-07*T**3+36699805*T**(-1); 4000.00 N REF:0 ! $ $ ########################################################### $ Gibbs energy functions other than SER $ ########################################################### $ FUNCTION GALBCC 273.00 +10083-4.813*T+GHSERAL#; 6000.00 N REF:0 ! FUNCTION GTIBCC 273.00 +6787.856+1.098972*T-1.5835*T*LN(T) +4.11413E-3*T**2-0.385519E-6*T**3-65428*T**(-1)+GHSERTI#; 900.00 Y +6539.750+1.726111*T-1.5881*T*LN(T) +3.539455E-3*T**2-0.187927E-6*T**3-35472*T**(-1)+GHSERTI#; 1155.00 Y +5758.548+38.389841*T-7.4305*T*LN(T) +9.363570E-3*T**2-1.048055E-6*T**3-525090*T**(-1)+GHSERTI#; 1941.00 Y +151010.046-821.233343*T+106.3083366*T*LN(T) -30.213169E-3*T**2+1.533611E-6*T**3-35299304*T**(-1)+GHSERTI#; 4000.00 N REF:0 ! FUNCTION GNBFCC 273.00 +4980.647+143.745475*T-26.4711*T*LN(T) +2.03475E-04*T**2-3.50119E-07*T**3+93399*T**(-1); 2750.00 Y -24169.3+273.420843*T-41.77*T*LN(T)+1.52824E+32*T**(-9); 6000.00 N REF:0 ! FUNCTION GALHCP 273.00 +5481-1.8*T+GHSERAL#; 6000.00 N REF:0 ! FUNCTION GNBHCP 273.00 +1480.647+144.445475*T-26.4711*T*ln(T)+2.03475E-04*T**2 -3.501196E-07*T**3+93399*T**(-1); 2750.00 Y -27669.3+274.120843*T-41.77*T*ln(T)+1.52824E-32*T**(-9); 6000 N REF:0 ! FUNCTION GTIFCC 273.00 +6000-0.1*T+GHSERTI#; 6000.00 N REF:0 ! 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 ! $ Functions for ordered bcc FUNCTION ALNBB2 273.00 -15164+6.694*T; 6000.00 N REF:160 ! FUNCTION UNDEF 273.00 +1e-8; 6000.00 N ! $ $***************************************************************************** $***************************************************************************** $ $ D) Thermodynamic model parameters for phases $ $***************************************************************************** $***************************************************************************** $ $################################################################################## $ THERMODYNAMIC PARAMETERS: LIQUID $################################################################################## $ PHASE LIQUID % 1 1.0 > >> 6 ! CONSTITUENT LIQUID : AL,MO,NB,TI : ! $------------------------------------------------------------------- $ liquid pure elements $------------------------------------------------------------------- PARAMETER G(LIQUID,AL;0) 273.00 +11005.029-11.841867*T+7.934E-20*T**7+GHSERAL#; 933.47 Y +10482.382-11.253974*T+1.231E+28*T**(-9)+GHSERAL#; 2900.00 N REF:0 ! PARAMETER G(LIQUID,MO;0) 273.00 +41831.347-14.694912*T+4.24519E-22*T**7+GHSERMO#; 2896.00 Y +34095.373-11.890046*T+4.849315E+33*T**(-9)+GHSERMO#; 5000.00 N REF:0 ! PARAMETER G(LIQUID,NB;0) 273.00 +29781.555-10.816417*T-3.06098E-23*T**7+GHSERNB#; 2750.00 Y +30169.901-10.964695*T-1.528238E+32*T**(-9)+GHSERNB#; 6000.00 N REF:0 ! PARAMETER G(LIQUID,TI;0) 273.00 +12194.415-6.980938*T+GHSERTI#; 1300.00 Y +368610.36-2620.9995038*T+357.005867*T*LN(T) -155.262855E-3*T**2+12.254402E-6*T**3-65556856*T**(-1)+GHSERTI#; 1941.00 Y +104639.72-340.070171*T+40.9282461*T*LN(T) -8.204849E-3*T**2+0.304747E-6*T**3-36699805*T**(-1)+GHSERTI#; 4000.00 N REF:0 ! $------------------------------------------------------------------- $ liquid binary interactions $------------------------------------------------------------------- PARAMETER L(LIQUID,AL,MO;0) 273.00 -100000+35*T; 6000.00 N REF:12 ! PARAMETER L(LIQUID,AL,MO;1) 273.00 -15000+6.3*T; 6000.00 N REF:92 ! PARAMETER L(LIQUID,AL,NB;0) 273.00 -106943+28.263*T; 6000.00 N REF:160 ! PARAMETER L(LIQUID,AL,NB;1) 273.00 +8552; 6000.00 N REF:160 ! PARAMETER L(LIQUID,AL,TI;0) 273.00 -118048+41.972*T; 6000.00 N REF:159 ! PARAMETER L(LIQUID,AL,TI;1) 273.00 -23613+19.704*T; 6000.00 N REF:159 ! PARAMETER L(LIQUID,AL,TI;2) 273.00 +34757-13.844*T; 6000.00 N REF:159 ! PARAMETER L(LIQUID,MO,NB;0) 273.00 +15253.7; 6000.00 N REF:163 ! PARAMETER L(LIQUID,MO,NB;1) 273.00 +10594.2; 6000.00 N REF:163 ! PARAMETER L(LIQUID,MO,TI;0) 273.00 -17494.7-3.57111*T; 6000.00 N REF:125 ! PARAMETER L(LIQUID,MO,TI;1) 273.00 -463.9+9.0476*T; 6000.00 N REF:125 ! PARAMETER L(LIQUID,NB,TI;0) 273.00 +3000; 6000.00 N REF:160 ! $------------------------------------------------------------------- $ liquid ternary interactions $------------------------------------------------------------------- PARAMETER L(LIQUID,AL,NB,TI;0) 273.00 -23459-70.310*T; 6000.00 N REF:160 ! PARAMETER L(LIQUID,AL,NB,TI;1) 273.00 +97894-34.381*T; 6000.00 N REF:160 ! PARAMETER L(LIQUID,AL,NB,TI;2) 273.00 -120999+32.097*T; 6000.00 N REF:160 ! PARAMETER L(LIQUID,AL,TI,V;0) 273.00 +50000-87*T; 6000.00 N REF:pov13 ! PARAMETER L(LIQUID,AL,TI,V;1) 273.00 +50000-87*T; 6000.00 N REF:pov13 ! PARAMETER L(LIQUID,AL,TI,V;2) 273.00 +1e-8; 6000.00 N REF:pov13 ! $################################################################################## $ THERMODYNAMIC PARAMETERS: BCC_A2 $################################################################################## $ TYPE_DEFINITION & GES A_P_D BCC_A2 MAGNETIC -1.0 0.4 ! PHASE BCC_A2 %& 2 1 3 > Body-centered cubic beta-Titanium. >> 5 ! CONSTITUENT BCC_A2 : AL,MO,NB,TI% : VA : ! $------------------------------------------------------------------- $ BCC_A2 endmember compounds with VA $------------------------------------------------------------------- PARAMETER G(BCC_A2,AL:VA;0) 273.00 +10083-4.813*T+GHSERAL#; 2900.00 N REF:0 ! PARAMETER G(BCC_A2,MO:VA;0) 273.00 +GHSERMO#; 5000.00 N REF:0 ! PARAMETER G(BCC_A2,NB:VA;0) 273.00 +GHSERNB#; 6000.00 N REF:0 ! PARAMETER G(BCC_A2,TI:VA;0) 273.00 +GTIBCC#; 6000.00 N REF:0 ! $******************** binary interactions *************************** $------------------------------------------------------------------- $ BCC_A2 binary interactions with VA $------------------------------------------------------------------- PARAMETER L(BCC_A2,AL,MO:VA;0) 273.00 -75000+25*T; 6000.00 N REF:92 ! PARAMETER L(BCC_A2,AL,NB:VA;0) 273.00 -95384.4+20.186*T; 6000.00 N REF:160 ! PARAMETER L(BCC_A2,AL,NB:VA;1) 273.00 -5995; 6000.00 N REF:160 ! PARAMETER L(BCC_A2,AL,TI:VA;0) 273.00 -132903+39.961*T; 6000.00 N REF:159 ! PARAMETER L(BCC_A2,AL,TI:VA;1) 273.00 +4890; 6000.00 N REF:159 ! PARAMETER L(BCC_A2,AL,TI:VA;2) 273.00 +400; 6000.00 N REF:159 ! PARAMETER L(BCC_A2,MO,NB:VA;0) 273.00 -68202.6+29.85596*T; 6000.00 N REF:163 ! PARAMETER L(BCC_A2,MO,NB:VA;1) 273.00 +8201.3; 6000.00 N REF:163 ! PARAMETER L(BCC_A2,MO,TI:VA;0) 273.00 +2000; 6000.00 N REF:92 ! PARAMETER L(BCC_A2,MO,TI:VA;1) 273.00 -2000; 6000.00 N REF:92 ! PARAMETER L(BCC_A2,MO,TI:VA;2) 273.00 +1e-8; 6000.00 N REF:92 ! PARAMETER L(BCC_A2,NB,TI:VA;0) 273.00 +8900; 6000.00 N REF:160 ! $******************** ternary interactions *************************** $------------------------------------------------------------------- $ BCC_A2 ternary interactions with VA $------------------------------------------------------------------- PARAMETER L(BCC_A2,AL,NB,TI:VA;0) 273.00 -23459-70.310*T; 6000.00 N REF:160 ! PARAMETER L(BCC_A2,AL,NB,TI:VA;1) 273.00 +97894-34.381*T; 6000.00 N REF:160 ! PARAMETER L(BCC_A2,AL,NB,TI:VA;2) 273.00 -120999+32.097*T; 6000.00 N REF:160 ! PARAMETER L(BCC_A2,AL,TI,V:VA;0) 273.00 -20000; 6000.00 N REF:pov13 ! PARAMETER L(BCC_A2,AL,TI,V:VA;1) 273.00 +20000; 6000.00 N REF:pov13 ! PARAMETER L(BCC_A2,AL,TI,V:VA;2) 273.00 -20000; 6000.00 N REF:pov13 ! $ $################################################################################## $ THERMODYNAMIC PARAMETERS: HCP_A3 $################################################################################## $ TYPE_DEFINITION ) GES A_P_D HCP_A3 MAGNETIC -3.0 0.28 ! PHASE HCP_A3 %) 2 1 0.5 > Hexagonal close-packed alpha-Titanium >> 5 ! CONSTITUENT HCP_A3 : AL,MO,NB,TI% : VA : ! $------------------------------------------------------------------- $ HCP_A3 endmember compounds with VA $------------------------------------------------------------------- PARAMETER G(HCP_A3,AL:VA;0) 273.00 +5481-1.8*T+GHSERAL#; 2900.00 N REF:0 ! PARAMETER G(HCP_A3,MO:VA;0) 273.00 +11550+GHSERMO#; 5000.00 N REF:0 ! PARAMETER G(HCP_A3,NB:VA;0) 273.00 +10000+2.4*T+GHEXTNB#; 6000.00 N REF:0 ! PARAMETER G(HCP_A3,TI:VA;0) 273.00 +GHSERTI#; 4000.00 N REF:0 ! $******************** binary interactions *************************** $------------------------------------------------------------------- $ HCP_A3 binary interactions with VA $------------------------------------------------------------------- PARAMETER L(HCP_A3,AL,MO:VA;0) 273.00 -85570+25*T; 6000.00 N REF:92 ! PARAMETER L(HCP_A3,AL,NB:VA;0) 273.00 -134000+38*T; 6000.00 N REF:160 ! PARAMETER L(HCP_A3,AL,TI:VA;0) 273.00 -134164+37.863*T; 6000.00 N REF:159 ! PARAMETER L(HCP_A3,AL,TI:VA;1) 273.00 -3475+0.825*T; 6000.00 N REF:159 ! PARAMETER L(HCP_A3,AL,TI:VA;2) 273.00 -7756; 6000.00 N REF:159 ! PARAMETER L(HCP_A3,MO,TI:VA;0) 273.00 +22760-6*T; 6000.00 N REF:92 ! PARAMETER L(HCP_A3,NB,TI:VA;0) 273.00 +13150; 6000.00 N REF:160 ! $******************** ternary interactions *************************** $------------------------------------------------------------------- $ HCP_A3 ternary interactions with VA $------------------------------------------------------------------- PARAMETER L(HCP_A3,AL,MO,TI:VA;0) 273.00 -10000; 6000.00 N REF:pov13 ! PARAMETER L(HCP_A3,AL,NB,TI:VA;0) 273.00 -96316.3-61.355*T; 6000.00 N REF:164 ! PARAMETER L(HCP_A3,AL,NB,TI:VA;1) 273.00 -29201.5-49.512*T; 6000.00 N REF:164 ! PARAMETER L(HCP_A3,AL,NB,TI:VA;2) 273.00 +29949.5-78.488*T; 6000.00 N REF:164 ! $################################################################################## $ 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, with Va on interstitial sublattice >> 1 ! CONSTITUENT FCC_A1 : AL%,MO,NB,TI : VA : ! $------------------------------------------------------------------- $ FCC_A1 endmember compounds with VA $------------------------------------------------------------------- PARAMETER G(FCC_A1,AL:VA;0) 273.00 +GHSERAL#; 2900.00 N REF:0 ! PARAMETER G(FCC_A1,MO:VA;0) 273.00 +15200+0.63*T+GHSERMO#; 5000.00 N REF:0 ! PARAMETER G(FCC_A1,NB:VA;0) 273.00 +13500+1.7*T+GHEXTNB#; 5000.00 N REF:0 ! PARAMETER G(FCC_A1,TI:VA;0) 273.00 +6000-0.1*T+GHSERTI#; 3000.00 N REF:0 ! $******************** binary interactions *************************** $------------------------------------------------------------------- $ FCC_A1 binary interactions with VA $------------------------------------------------------------------- PARAMETER L(FCC_A1,AL,MO:VA;0) 273.00 -92220+20*T; 6000.00 N REF:92 ! PARAMETER L(FCC_A1,AL,NB:VA;0) 273.00 -61684; 6000.00 N REF:160 ! PARAMETER L(FCC_A1,AL,NB:VA;1) 273.00 -40679; 6000.00 N REF:160 ! PARAMETER L(FCC_A1,AL,TI:VA;0) 273.00 -119185+40.723*T; 6000.00 N REF:159 ! PARAMETER L(FCC_A1,AL,TI:VA;1) 273.00 -3475+0.825*T; 6000.00 N REF:159 ! PARAMETER L(FCC_A1,MO,NB:VA;0) 273.00 +1E-7; 6000.00 N REF:12 ! PARAMETER L(FCC_A1,MO,TI:VA;0) 273.00 -23224.5; 6000.00 N REF:125 ! PARAMETER L(FCC_A1,NB,TI:VA;0) 273.00 +13600; 6000.00 N REF:16 ! $################################################################################## $ THERMODYNAMIC PARAMETERS: BCC_B2 $################################################################################## $ PHASE BCC_B2 % 3 0.5 0.5 3 > beta-0, ordered bcc_A2-based B2-Phase, 2-substitutional sublattices split model used. >> 4 ! CONSTITUENT BCC_B2 : AL,MO,NB,TI% : AL%,MO,NB,TI : VA : ! PARAMETER G(BCC_B2,AL:AL:VA;0) 273.00 +1E-7; 6000.00 N REF:91 ! PARAMETER G(BCC_B2,TI:TI:VA;0) 273.00 +1E-7; 6000.00 N REF:159 ! PARAMETER G(BCC_B2,MO:TI:VA;0) 273.00 +1e-8; 6000.00 N REF:pov13 ! PARAMETER G(BCC_B2,TI:MO:VA;0) 273.00 +1e-8; 6000.00 N REF:pov13 ! PARAMETER G(BCC_B2,AL:TI:VA;0) 273.00 -17501; 6000.00 N REF:159 ! PARAMETER G(BCC_B2,TI:AL:VA;0) 273.00 -17501; 6000.00 N REF:159 ! PARAMETER G(BCC_B2,NB:AL:VA;0) 273.00 +ALNBB2#; 6000.00 N REF:160 ! PARAMETER G(BCC_B2,AL:NB:VA;0) 273.00 +ALNBB2#; 6000.00 N REF:160 ! PARAMETER G(BCC_B2,NB:NB:VA;0) 273.00 +1e-8; 6000.00 N REF:160 ! PARAMETER G(BCC_B2,TI:NB:VA;0) 273.00 +1e-8; 6000.00 N REF:160 ! PARAMETER G(BCC_B2,NB:TI:VA;0) 273.00 +1e-8; 6000.00 N REF:160 ! PARAMETER G(BCC_B2,TI:AL:B;0) 273.00 +500; 6000.00 N REF:154 ! PARAMETER G(BCC_B2,AL:TI:B;0) 273.00 +500; 6000.00 N REF:154 ! $----------------------Interaction parameters---------------------- PARAMETER L(BCC_B2,AL,TI:AL:VA;0) 273.00 +4500; 6000.00 N REF:pov13 ! PARAMETER L(BCC_B2,AL:AL,TI:VA;0) 273.00 +4500; 6000.00 N REF:pov13 ! PARAMETER L(BCC_B2,AL,TI:AL:VA;1) 273.00 +6292; 6000.00 N REF:159 ! PARAMETER L(BCC_B2,AL:AL,TI:VA;1) 273.00 +6292; 6000.00 N REF:159 ! PARAMETER L(BCC_B2,AL,TI:TI:VA;0) 273.00 -21406; 6000.00 N REF:159 ! PARAMETER L(BCC_B2,TI:AL,TI:VA;0) 273.00 -21406; 6000.00 N REF:159 ! PARAMETER L(BCC_B2,AL,TI:TI:VA;1) 273.00 -1080; 6000.00 N REF:159 ! PARAMETER L(BCC_B2,TI:AL,TI:VA;1) 273.00 -1080; 6000.00 N REF:159 ! PARAMETER L(BCC_B2,AL,NB:AL:VA;0) 273.00 -ALNBB2#; 6000.00 N REF:160 ! PARAMETER L(BCC_B2,AL:AL,NB:VA;0) 273.00 -ALNBB2#; 6000.00 N REF:160 ! PARAMETER L(BCC_B2,NB:AL,NB:VA;0) 273.00 -ALNBB2#; 6000.00 N REF:160 ! PARAMETER L(BCC_B2,TI:AL,NB:VA;0) 273.00 +16500-7*T; 6000.00 N REF:164 ! PARAMETER L(BCC_B2,AL,NB:NB:VA;0) 273.00 -ALNBB2#; 6000.00 N REF:160 ! PARAMETER L(BCC_B2,AL,NB:TI:VA;0) 273.00 +16500-7*T; 6000.00 N REF:164 ! PARAMETER L(BCC_B2,NB:AL,TI:VA;0) 273.00 -1000-T; 6000.00 N REF:164 ! PARAMETER L(BCC_B2,AL,TI:NB:VA;0) 273.00 -1000-T; 6000.00 N REF:164 ! PARAMETER L(BCC_B2,NB,TI:AL:VA;0) 273.00 -1000-T; 6000.00 N REF:pov13 ! PARAMETER L(BCC_B2,AL:NB,TI:VA;0) 273.00 -1000-T; 6000.00 N REF:pov13 ! $################################################################################## $ THERMODYNAMIC PARAMETERS: TIAL $################################################################################## $ TYPE_DEFINITION & GES A_P_D TIAL MAGNETIC -1.0 0.4 ! PHASE TIAL %& 3 1 1 1 > L10-ordered gamma precipitate in Ti-alloy. >> 5 ! CONSTITUENT TIAL : Al,MO,NB,TI% : AL%,MO,NB,TI : VA : ! PARAMETER G(TIAL,AL:AL:VA;0) 273.00 2*GHSERAL#+4; 6000.00 N REF:159 ! PARAMETER G(TIAL,TI:TI:VA;0) 273.00 2*GTIFCC#; 6000.00 N REF:159 ! PARAMETER G(TIAL,AL:TI:VA;0) 273.00 +GHSERAL#+GTIFCC#-81008+14.722*T; 6000.00 N REF:159 ! PARAMETER G(TIAL,TI:AL:VA;0) 273.00 +GHSERAL#+GTIFCC#-81008+14.722*T; 6000.00 N REF:159 ! PARAMETER L(TIAL,AL,TI:TI:VA;0) 273.00 -31963+6.952*T; 6000.00 N REF:159 ! PARAMETER L(TIAL,TI:AL,TI:VA;0) 273.00 -31963+6.952*T; 6000.00 N REF:159 ! PARAMETER L(TIAL,AL,TI:AL:VA;0) 273.00 -88993+41.695*T; 6000.00 N REF:pov13 ! PARAMETER L(TIAL,AL:AL,TI:VA;0) 273.00 -88993+41.695*T; 6000.00 N REF:pov13 ! PARAMETER L(TIAL,AL,TI:AL:VA;1) 273.00 +27363; 6000.00 N REF:159 ! PARAMETER L(TIAL,AL:AL,TI:VA;1) 273.00 +27363; 6000.00 N REF:159 ! PARAMETER L(TIAL,AL,TI:AL:VA;2) 273.00 +42189; 6000.00 N REF:159 ! PARAMETER L(TIAL,AL:AL,TI:VA;2) 273.00 +42189; 6000.00 N REF:159 ! $ PARAMETER G(TIAL,MO:MO:VA;0) 273.00 2*GHSERMO#+50000; 6000.00 N REF:pov13 ! PARAMETER G(TIAL,MO:TI:VA;0) 273.00 +40000-38*T+GHSERMO#+GHSERTI#; 6000.00 N REF:pov13 ! PARAMETER G(TIAL,TI:MO:VA;0) 273.00 +40000-38*T+GHSERMO#+GHSERTI#; 6000.00 N REF:pov13 ! PARAMETER G(TIAL,AL:MO:VA;0) 273.00 GHSERAL#+GHSERMO#; 6000.00 N REF:pov13 ! PARAMETER G(TIAL,MO:AL:VA;0) 273.00 +GHSERAL#+GHSERMO#; 6000.00 N REF:pov13 ! $ PARAMETER G(TIAL,NB:NB:VA;0) 273.00 2*GNBFCC#; 6000.00 N REF:160 ! PARAMETER G(TIAL,NB:TI:VA;0) 273.00 +GHSERNB#+GHSERTI#+500; 6000.00 N REF:160 ! PARAMETER G(TIAL,TI:NB:VA;0) 273.00 +GHSERNB#+GHSERTI#+500; 6000.00 N REF:160 ! PARAMETER G(TIAL,AL:NB:VA;0) 273.00 +GHSERAL#+GHSERNB#-45865-0.77*T; 6000.00 N REF:160 ! PARAMETER G(TIAL,NB:AL:VA;0) 273.00 +GHSERAL#+GHSERNB#-45865-0.77*T; 6000.00 N REF:160 ! PARAMETER L(TIAL,NB:AL,TI:VA;0) 273.00 +85251-69.277*T; 6000.00 N REF:160 ! PARAMETER L(TIAL,AL,TI:NB:VA;0) 273.00 +85251-69.277*T; 6000.00 N REF:160 ! PARAMETER L(TIAL,NB,TI:AL:VA;0) 273.00 -38768+14.647*T; 6000.00 N REF:160 ! PARAMETER L(TIAL,AL:NB,TI:VA;0) 273.00 -38768+14.647*T; 6000.00 N REF:pov13 ! PARAMETER L(TIAL,AL,NB,TI:AL:VA;0) 273.00 -250887; 6000.00 N REF:pov13 ! PARAMETER L(TIAL,AL:AL,NB,TI:VA;0) 273.00 -250887; 6000.00 N REF:160 ! PARAMETER L(TIAL,AL,NB,TI:AL:VA;1) 273.00 -290000+38.399*T; 6000.00 N REF:160 ! PARAMETER L(TIAL,AL:AL,NB,TI:VA;1) 273.00 -290000+38.399*T; 6000.00 N REF:160 ! PARAMETER L(TIAL,AL,NB,TI:AL:VA;2) 273.00 -177314+98.024*T; 6000.00 N REF:160 ! PARAMETER L(TIAL,AL:AL,NB,TI:VA;2) 273.00 -177314+98.024*T; 6000.00 N REF:160 ! $################################################################################## $ THERMODYNAMIC PARAMETERS: TI3AL $################################################################################## $ TYPE_DEFINITION ) GES A_P_D TI3AL MAGNETIC -3.0 0.28 ! PHASE TI3AL %) 3 3 1 1 > alpha-2 precipitate in Ti-alloy. Ordered D019 structure. >> 5 ! CONSTITUENT TI3AL : Al,NB,TI% : AL%,NB,TI : VA : ! PARAMETER G(TI3AL,AL:AL:VA;0) 273.00 4*GALHCP#; 6000.00 N REF:159 ! PARAMETER G(TI3AL,NB:AL:VA;0) 273.00 -20000+GALHCP#+3*GNBHCP#; 6000.00 N REF:160 ! PARAMETER G(TI3AL,TI:AL:VA;0) 273.00 1*GALHCP#+3*GHSERTI#-113676+20.833*T; 6000.00 N REF:159 ! PARAMETER G(TI3AL,AL:NB:VA;0) 273.00 3*GALHCP#+GNBHCP#; 6000.00 N REF:160 ! PARAMETER G(TI3AL,NB:NB:VA;0) 273.00 +20+4*GNBHCP#; 6000.00 N REF:160 ! PARAMETER G(TI3AL,TI:NB:VA;0) 273.00 +20000+3*GHSERTI#+GNBHCP#; 6000.00 N REF:160 ! PARAMETER G(TI3AL,AL:TI:VA;0) 273.00 3*GALHCP#+1*GHSERTI#-16443+5.4*T; 6000.00 N REF:159 ! PARAMETER G(TI3AL,NB:TI:VA;0) 273.00 +40000+GHSERTI#+3*GNBHCP#; 6000.00 N REF:160 ! PARAMETER G(TI3AL,TI:TI:VA;0) 273.00 4*GHSERTI#+20; 6000.00 N REF:159 ! $ PARAMETER L(TI3AL,AL,TI:AL:VA;0) 273.00 -269912+86.338*T; 6000.00 N REF:159 ! PARAMETER L(TI3AL,TI:AL,TI:VA;0) 273.00 -13704+5.318*T; 6000.00 N REF:159 ! PARAMETER L(TI3AL,NB,TI:AL:VA;0) 273.00 -95000-2*T; 6000.00 N REF:pov13 ! PARAMETER L(TI3AL,NB,TI:AL:VA;1) 273.00 +56000+2*T; 6000.00 N REF:pov13 ! PARAMETER L(TI3AL,AL,NB,TI:AL:VA;0) 273.00 +1e-8; 6000.00 N REF:160 ! PARAMETER L(TI3AL,AL,NB,TI:AL:VA;1) 273.00 -1337440; 6000.00 N REF:pov13 ! PARAMETER L(TI3AL,AL,NB,TI:AL:VA;2) 273.00 -392000; 6000.00 N REF:164 ! $***************************************************************************** $ $ E) List of references $ $***************************************************************************** $ A00201-0 unary A.T. Dinsdale, SGTE Data of pure elements, CALPHAD, Vol. 15, No. 4, pp. 317-425, 1991. A00040-12 Al-C-Cr-Cu-Fe-Mn-Ni-Si... J. Miettinen, Thermodynamic substitutional solution data for steels, Report TKK-MK-76, pp. 1-24, 1999. A00093-16 C-Fe-N-Nb-Ti B.J. Lee, A Thermodynamic assessment of the Fe-Nb-Ti-C-N system, Metal. Mater. Trans., Vol. 32A, pp. 2423-2439, 2001. A00094-19 C-Nb-W W. Huang , M. Selleby, Thermodynamic assessment of the Nb-W-C system, Z. Metallkd., Vol. 88, No. 1, pp. 55-62, 1997. 92 bin, tern N. Saunders, COST 507: Thermochemical database for light metal alloys, Vol. 2, pp. 23-27, 1998. A00196-125 Mo-Ti-C-N H.-J. Chung, J.-H. Shim and D.N. Lee, Thermodynamic evaluation and calculation of phase equilibria of the Ti-Mo-C-N quaternary system, J. Alloys Cmpds., Vol. 282, pp. 142-148, 1999. A00262-159 Ti-Al V.T. Witusiewicz et al., The Al-B-Nb-Ti system III. Thermodynamic re-evaluation of the constituent binary system Al-Ti, J. Alloys Cmpd., Vol. 465, pp. 64-77, 2008. A00302-163 Mo-Nb W. Xiong, Y. Du, Y. Liu, B.Y. Huang, H.H. Xu, H.L. Chen, Z. Pan, Thermodynamic assessment of the Mo-Nb-Ta system, CALPHAD, Vol. 28, pp. 133-140, 2004. A00305-164 Al-Nb-Ti Yuhong Liu, E. Gamsjaeger, H. Clemens, Thermodynamic description of niobium-rich gamma-TiAl alloys, Int. J. Mater. Res., Vol. 102, pp. 693-696, 2011. pov10 E. Povoden-Karadeniz, unpublished, 2010. pov11 E. Povoden-Karadeniz, unpublished, 2011. pov12 E. Povoden-Karadeniz, unpublished, 2012. pov13 E. Povoden-Karadeniz, unpublished results, 2013.