$ $ DATABASE GRAPHENE-METAL $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- TEMP-LIM 298.15 6000.00 ! $ ELEMENT NAME REF. STATE ATOMIC MASS H298-H0 S298 ! $ ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00! ELEMENT AG FCC_A1 1.0787E+02 5.7446E+03 4.2551E+01! ELEMENT AL FCC_A1 26.98154 4540. 28.30 ! ELEMENT AU FCC_A1 1.9697E+02 6.0166E+03 4.7488E+01! ELEMENT B BETA_RHOMBO_B 1.0811E+01 1.2220E+03 5.9000E+00 ! ELEMENT BE HCP_A3 9.012 1950 9.5 ! ELEMENT C GRAPHITE 1.2011E+01 1.0540E+03 5.7400E+00! ELEMENT CE FCC_A1 1.4011E+02 7.2801E+03 6.9454E+01! ELEMENT CO HCP_A3 58.933 4765.6 3.004 ! ELEMENT CR BCC_A2 51.996 4050.0 23.5429 ! ELEMENT CU FCC_A1 6.3546E+01 5.0041E+03 3.3150E+01! ELEMENT DY HCP_A3 1.6250E+02 8.8659E+03 7.5563E+01! ELEMENT FE BCC_A2 5.5847E+01 4.4890E+03 2.7280E+01! ELEMENT HF HCP_A3 1.7849E+02 5.8450E+03 4.3560E+01! ELEMENT GE DIAMOND_A4 72.61 4636 31.09 ! ELEMENT LA DHCP 1.3891E+02 6.6651E+03 5.6902E+01! ELEMENT LI BCC_A2 6.941 4632 29.12 ! ELEMENT MG HCP_A3 24.305 4998 32.671 ! ELEMENT MN CBCC_A12 5.4938E+01 4.9960E+03 3.2008E+01! ELEMENT MO BCC_A2 9.5940E+01 4.5890E+03 2.8560E+01 ! ELEMENT NB BCC_A2 92.9064 5220.0 36.27 ! ELEMENT NI FCC_A1 5.8690E+01 4.7870E+03 2.9796E+01! ELEMENT PD FCC_A1 1.0642E+02 5.4685E+03 3.7823E+01! ELEMENT PR DHCP 1.4091E+02 7.4182E+03 7.3931E+01! ELEMENT PT FCC_A1 1.9508E+02 5.7237E+03 4.1631E+01! ELEMENT RE HCP_A3 1.8621E+02 5.3555E+03 3.6526E+01! ELEMENT RU HCP_A3 1.0107E+02 4.6024E+03 2.8535E+01! ELEMENT RH FCC_A1 1.0291E+02 4.9204E+03 3.1505E+01! ELEMENT SI DIAMOND_A4 2.8085E+01 3.2175E+03 1.8820E+01! ELEMENT SN BCT_A5 118.69 6323.0 51.18 ! ELEMENT TA BCC_A2 1.8095E+02 5.6819E+03 4.1472E+01 ! ELEMENT TI HCP_A3 4.7880E+01 4.8100E+03 3.0648E+01! ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00! ELEMENT V BCC_A2 50.9415 4507.0 30.89 ! ELEMENT W BCC_A2 1.8385E+02 4.9700E+03 3.2620E+01 ! ELEMENT Y HCP_A3 8.8906E+01 0.0000E+00 0.0000E+00! ELEMENT ZN HCP_ZN 65.38 5657.0 41.63 ! ELEMENT ZR HCP_A3 9.1224E+01 5.5663E+03 3.9181E+01! $ SPECIES B11C B11C1 ! SPECIES B12 B12 ! SPECIES B4 B4 ! SPECIES BB B2 ! SPECIES BC B1C1 ! SPECIES CBB B2C1 ! SPECIES CBC B1C2 ! SPECIES C2 C2! SPECIES LI2C2 LI2C2! SPECIES TI2 TI2! $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- $ DEFAULT-COM DEFINE_SYSTEM_ELEMENT VA ! DEFINE_SYSTEM_DEFAULT ELEMENT 27 ! TYPE-DEF % SEQ * ! TYPE-DEF A GES AMEND_PHASE_DESCRIPTION @ MAGNETIC -3 0.28 ! TYPE-DEF B GES AMEND_PHASE_DESCRIPTION @ MAGNETIC -1 0.4 ! FUNCTION ZERO 298.15 0; 6000 N ! FUNCTION UN_ASS 298.15 0; 6000 N ! FUNCTION R 298.15 +8.31451; 6000 N ! $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- $$$$$$$$$$$$$$$$$$$$$$$ PHASE DEFINITION $$$$$$$$$$$$$$$$$$$$$$$$$$$$ $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- $ PHASE GAS:G % 1 1.0 ! CONST GAS:G :AG AL AU C CO CR CU FE MN MO NB NI PD PT RE RU RH SI TI TI2 V W Y ZN ZR: ! $ PHASE LIQUID % 1 1.0 ! CONST LIQUID :AG AL AU B BE C CE CO CR CU DY FE HF GE LA LI LI2C2 MG MN MO NB NI PD PR PT RE RU RH SI SN TA TI V W Y ZN ZR: ! $ PHASE GRAPHITE % 1 1.0 ! CONST GRAPHITE :B C CE LA PD PR : ! $ $ PROTOTYPE C (CF8 FD-3M) $ PHASE DIAMOND_A4 % 1 1.0 ! CONST DIAMOND_A4 :C DY GE SI SN:! $ $$$$$$ FCC (CF4 FM-3M) AND MEX (CF8 FM-3M) $ PHASE FCC_A1 %A 2 1 1 ! CONST FCC_A1 :AG AL AU BE CE CR CU FE HF GE LA LI MG MN MO NB NI PT RE RU RH SN TA TI V W Y ZN ZR:C VA : ! $ PHASE FCC %A 2 1 .5 ! CONSTITUENT FCC :C CO PD : C VA : ! PAR G(FCC,C:VA;0) 298.15 GHSERCC+10000; 6000 N ! PAR G(FCC,C:C;0) 298.15 +400000; 6000 N ! $ $$$$$$ BCC (CI2 IM-3M) $ PHASE BCC_A2 %B 2 1 3 ! CONST BCC_A2 :AG AL AU BE CE CO CR CU DY FE HF GE LA LI MG MN MO NB NI PD PR PT RE RU RH SI SN TA TI V W Y ZN ZR: C VA : ! $ $$$$$$ HCP (HP2 P6_3/MMC) AND ME2X (NIAS-TYPE HP4 P6_3/MMC B8_1) $ PHASE HCP_A3 %A 2 1 0.5 ! CONST HCP_A3 : AG AL AU BE C CO CR CU DY FE HF GE LI MG MN MO NB NI PD PT RE RU RH SI SN TA TI V W Y ZN ZR: C VA : ! PAR G(HCP_A3,C:VA;0) 298.15 +400000; 6000 N ! PAR G(HCP_A3,C:C;0) 298.15 +400000; 6000 N ! $ PHASE HCP_ZN % 2 1 .5 ! CONSTITUENT HCP_ZN :MG ZN : VA : ! $ PHASE HCP %A 1 1 ! CONST HCP :C RH RU:! $ PHASE BCT_A5 % 1 1.0 ! CONST BCT_A5 :GE SN% : ! $ PHASE CBCC_A12 %A 2 1 1 ! CONST CBCC_A12 :FE MG MN NI SN TI : C VA : ! $ PHASE CUB_A13 % 2 1 1 ! CONST CUB_A13 :AG FE MG MN NI SN TI : C VA: ! $ PHASE CEMENTITE_D011 %A 2 3 1 ! CONST CEMENTITE_D011 :CR FE NB NI: C : ! $ PHASE DHCP % 2 1 1 ! CONST DHCP :PR LA : C,VA : ! $ $$$$$$$ PROTOTYPE TIO2 (TP6, P4_2/MNM) $ PHASE TI2N_C4 % 2 2 1 ! CONST TI2N_C4 : TI : C : ! $ PHASE M7C3 % 2 7 3 ! CONST M7C3 : CO NI: C : ! $ PHASE M23C6 % 3 20 3 6 ! CONST M23C6 : MN CO: MN CO: C : ! $ PHASE M3C2 % 2 3 2 ! CONST M3C2 :CO:C:! $ PHASE TIC % 2 1 1 ! CONST TIC : NI TI : C VA : ! $ PHASE MN3C % 2 3 1 ! CONST MN3C : MN : C : ! $ PHASE MN5C2 % 2 5 2 ! CONST MN5C2 : MN : C : ! $ PHASE MN7C3 % 2 7 3 ! CONST MN7C3 : MN : C : ! $ PHASE CR3C2_D510 % 2 3 2 ! CONSTITUENT CR3C2_D510 :CR:C:! $ PHASE M7C3_D101 % 2 7 3 ! CONSTITUENT M7C3_D101 :CR:C:! $ PHASE M23C6_D84 % 3 20 3 6 ! CONSTITUENT M23C6_D84 :CR:CR:C:! $ PHASE M23C6_S % 2 23 6 ! CONSTITUENT M23C6_S :CR:C:! $ PHASE KSI_CARBIDE % 2 3 1 ! CONSTITUENT KSI_CARBIDE :CR:C:! $ PHASE V3C2 % 2 3 2 ! CONST V3C2 : V : C : ! $ PHASE MC_ETA % 2 1 1 ! CONSTITUENT MC_ETA :MO,W :C,VA : ! $ PHASE MC_SHP % 2 1 1 ! CONSTITUENT MC_SHP :MO,W :C : ! $ PHASE TA4C3 % 2 0.614 0.386 ! CONSTITUENT TA4C3 :TA: C: ! $ PHASE AL4C3_D71 % 2 4 3 ! CONST AL4C3_D71 : AL : C : ! $ PHASE SIC % 2 1 1 ! CONST SIC : SI : C : ! $ PHASE ALPHA-LI2C2 % 2 0.5 0.5 ! CONSTITUENT ALPHA-LI2C2 :LI:C:! $ PHASE BETA-LI2C2 % 2 0.5 0.5 ! CONSTITUENT BETA-LI2C2 :LI:C:! $ PHASE B4C % 2 1 1 ! CONST B4C : B11C,B12 : BB,CBB,CBC : ! $ PHASE BETA_RHOMBO_B % 2 93 12 ! CONST BETA_RHOMBO_B : B : B,C : ! $ PHASE BE2C % 2 2 1 ! CONST BE2C : BE : C : ! $ PHASE MG2C3 % 2 2 3 ! CONST MG2C3 : MG : C : ! $ PHASE MGC2 % 2 1 2 ! CONST MGC2 : MG : C : ! $ PHASE CE2C3 % 2 0.4 0.6 ! CONST CE2C3 :CE:C : ! $ PHASE CEC2H % 2 0.333333 0.666667 ! CONST CEC2H :CE:C : ! $ PHASE CEC2L % 2 0.333333 0.666667 ! CONST CEC2L :CE: C : ! $ PHASE LAC2H % 2 0.333333 0.666667 ! CONST LAC2H :LA: C,VA : ! $ PHASE LAC2L % 2 0.333333 0.666667 ! CONST LAC2L :LA: C: ! $ PHASE LA2C3 % 2 0.4 0.6 ! CONST LA2C3 :LA: C,VA : ! $ PHASE PR2C3 % 2 0.4 0.6 ! CONST PR2C3 :PR:C,VA : ! $ PHASE PRC2H % 2 0.333333 0.666667 ! CONST PRC2H :PR: C,VA : ! $ PHASE PRC2L % 2 0.333333 0.666667 ! CONST PRC2L :PR: C: ! $ PHASE DY2C3 % 2 0.4 0.6 ! CONST DY2C3 :DY:C : ! $ PHASE DYC2H % 2 1 2 ! CONST DYC2H :DY:C : ! $ PHASE DYC2R % 2 1 2 ! CONST DYC2R :DY: C : ! $ PHASE GAMMA % 2 1 1 ! CONSTITUENT GAMMA :Y : C,C2,VA : ! $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- $$$$$$$$$$$$$$$$$$$$$$$ ELEMEN DATA $$$$$$$$$$$$$$$$$$$$$$$$$$$$ $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- $ $$$$$$ GAS $ FUNCTION F3903T 298.15 +710430.933-17.7062919*T-20.97529*T*LN(T) +1.998237E-04*T**2-3.34617167E-08*T**3+1680.6515*T**(-1); 3.40000E+03 Y +698015.711+2.57175186*T-23.05071*T*LN(T)-6.04604E-05*T**2 +6.74291667E-10*T**3+8558245*T**(-1); 1.00000E+04 Y +736197.571-32.7975309*T-19.44529*T*LN(T)-1.5396035E-04*T**2 -6.15402167E-11*T**3-56188350*T**(-1); 2.00000E+04 N ! FUNCTION F16017T 298.15 +123657.321-20.1370184*T-20.78611*T*LN(T); 2.80020E+03 Y +123613.527-19.3397056*T-20.90317*T*LN(T)+6.83641E-05*T**2 -5.67235E-09*T**3+4147.257*T**(-1); 4.30000E+03 Y +103507.763+66.0961497*T-31.55762*T*LN(T)+.0023042395*T**2 -8.82324667E-08*T**3+5389360*T**(-1); 8.20000E+03 Y +674634.046-911.495396*T+77.46355*T*LN(T)-.006985585*T**2 +6.07435833E-08*T**3-5.584395E+08*T**(-1); 1.00000E+04 N ! FUNCTION F4058T 298.15 +418357.591-56.1619059*T-17.32226*T*LN(T) -.01344742*T**2+3.44982667E-06*T**3+21057.655*T**(-1); 600 Y +416135.824-2.86956514*T-26.15364*T*LN(T)-1.6165805E-04*T**2 -6.62772833E-09*T**3+84845.25*T**(-1); 1600 Y +403240.509+69.0982722*T-35.5394*T*LN(T)+.0026072805*T**2 -1.325554E-07*T**3+3232830.5*T**(-1); 3800 Y +467728.976-129.173207*T-11.66997*T*LN(T)-.0013247985*T**2 -1.08658483E-08*T**3-29464565*T**(-1); 6000 N ! FUNCTION F15856T 298.15 +124152.804-21.0289709*T-20.897*T*LN(T) +6.65E-05*T**2-5.58E-09*T**3+3335*T**(-1); 4.30000E+03 Y +104038.336+64.4573272*T-31.558*T*LN(T)+.00230425*T**2 -8.82333333E-08*T**3+5389360*T**(-1); 8.20000E+03 Y +681283.394-922.574932*T+78.50201*T*LN(T)-.0070638*T**2 +6.18466667E-08*T**3-5.65175E+08*T**(-1); 1.00000E+04 N ! FUNCTION F13888T 298.15 +462541.812-39.7408584*T-26.55434*T*LN(T) -.00920795*T**2+1.474184E-06*T**3+32740.96*T**(-1); 800 Y +454624.274+54.7666042*T-40.59669*T*LN(T)+.0020964085*T**2 -2.72221333E-07*T**3+884792.5*T**(-1); 3300 Y +581650.407-431.216401*T+19.76267*T*LN(T)-.010792005*T**2 +2.48554833E-07*T**3-49877130*T**(-1); 6000 N ! FUNCTION F15914T 298.15 +511797.664-35.2535217*T-22.24944*T*LN(T) +6.1413E-04*T**2-8.62467667E-07*T**3-163305.65*T**(-1); 6.00000E+02 Y +511829.512-50.998109*T-19.38998*T*LN(T)-.005134615*T**2 +7.63121333E-07*T**3-68345.1*T**(-1); 1.20000E+03 Y +502467.161+47.6795881*T-33.65341*T*LN(T)+.0040905125*T**2 -3.20704167E-07*T**3+1002485.5*T**(-1); 3.50000E+03 Y +659891.521-521.261733*T+36.42753*T*LN(T)-.009886465*T**2 +2.055815E-07*T**3-65900100*T**(-1); 7.00000E+03 Y +225572.613+332.102042*T-60.43293*T*LN(T)-2.216028E-04*T**2 +2.37272833E-08*T**3+3.020267E+08*T**(-1); 1.00000E+04 N ! FUNCTION F15648T 298.15 +467609.96-25.7916835*T-23.45359*T*LN(T) +.0026178525*T**2-4.83678833E-07*T**3-101456.95*T**(-1); 1.80000E+03 Y +492971.637-184.379175*T-2.247876*T*LN(T)-.005476885*T**2 +1.10024367E-07*T**3-5945505*T**(-1); 4.50000E+03 Y +364869.208+112.534909*T-36.55164*T*LN(T)-.0016270125*T**2 +3.69943667E-08*T**3+80422300*T**(-1); 1.00000E+04 N ! FUNCTION F15653T 298.15 +804579.989-13.3244359*T-33.852*T*LN(T) -.01680915*T**2+4.05913E-06*T**3+159805*T**(-1); 6.00000E+02 Y +797116.458+109.508534*T-53.131*T*LN(T)+.00501905*T**2-5.1425E-07*T**3 +693380*T**(-1); 1.50000E+03 Y +796667.915+69.7367642*T-46.792*T*LN(T)-6.3645E-04*T**2 +1.78673333E-07*T**3+2125430*T**(-1); 3.20000E+03 Y +779355.318+192.57083*T-63.044*T*LN(T)+.00452695*T**2 -9.56883333E-08*T**3+2443585*T**(-1); 6000 N ! FUNCTION F12536T 298.15 +651326.983-41.0946076*T-21.0437*T*LN(T) +2.7252545E-04*T**2-4.77857833E-08*T**3+5594.93*T**(-1); 1600 Y +633752.125+83.3186556*T-37.98605*T*LN(T)+.007623775*T**2 -6.52545667E-07*T**3+3471277.5*T**(-1); 3500 Y +1134689.66-1617.69443*T+169.6658*T*LN(T)-.03080567*T**2 +6.87557667E-07*T**3-2.240338E+08*T**(-1); 5000 Y +1008188.16-1437.30781*T+150.7395*T*LN(T)-.03086233*T**2 +7.54569333E-07*T**3-1.0601775E+08*T**(-1); 6200 Y -929123.768+2587.60477*T-309.2377*T*LN(T)+.017761425*T**2 -2.10949167E-07*T**3+1.426406E+09*T**(-1); 10000 N ! FUNCTION RTLNP 298.15 8.3145*T*LN(1E-05*P); 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ AG $ FUNCTION GLIQAG 298.15 +GHSERAG#+11025.076-8.89102*T-1.033905E-20*T**7; 1234.93 Y -3587.111+180.964656*T-33.472*T*LN(T); 3000 N ! FUNCTION GHSERAG 298.15 -7209.512+118.202013*T-23.8463314*T*LN(T) -.001790585*T**2-3.98587E-07*T**3-12011*T**(-1); 1234.93 Y -15095.252+190.266404*T-33.472*T*LN(T)+1.411773E+29*T**(-9); 3000 N ! FUNCTION GBCCAG 298.15 +GHSERAG#+3400-1.05*T; 3000 N ! FUNCTION GHCPAG 298.15 +GHSERAG#+300+.3*T; 3000 N ! $ PAR G(LIQUID,AG;0) 298.15 +GLIQAG#; 3000 N REF2 ! PAR G(BCC_A2,AG:VA;0) 298.15 +GBCCAG#; 3000 N REF2 ! PAR G(CUB_A13,AG:VA;0) 298.15 +GHSERAG#+3400-1.05*T; 3000 N ! PAR G(FCC_A1,AG:VA;0) 298.15 +GHSERAG#; 3000 N REF1 ! PAR G(HCP_A3,AG:VA;0) 298.15 +GHCPAG#; 3000 N REF2 ! $ ----------------------------------------------------------------------------- $ $$$$$$ AL $ PAR G(FCC_A1,AL:VA),, +GHSERAL; 2900 N 91DIN ! PAR G(BCC_A2,AL:VA),, +GHSERAL+10083-4.813*T; 2900 N 91DIN ! PAR G(HCP_A3,AL:VA),, +GHSERAL+5481-1.8*T; 2900 N 91DIN ! PAR G(LIQUID,AL),, +GLIQAL; 2900 N 91DIN ! $ FUNCTION GHSERAL 298.15 -7976.15+137.093038*T-24.3671976*T*LN(T) -0.001884662*T**2-8.77664E-07*T**3+74092*T**(-1); 700.00 Y -11276.24+223.048446*T-38.5844296*T*LN(T) +0.018531982*T**2 -5.764227E-06*T**3+74092*T**(-1); 933.47 Y -11278.378+188.684153*T-31.748192*T*LN(T) -1.230524E+28*T**(-9); 2900.00 N ! FUNCTION GLIQAL 298.15 +11005.029-11.841867*T+GHSERAL+7.9337E-20*T**7; 933.47 Y -795.996+177.430178*T-31.748192*T*LN(T); 2900.00 N ! FUNCTION GBCCAL 298.15 +GHSERAL+10083-4.813*T; 2900 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ AU $ FUNCTION GLIQAU 298.15 +GHSERAU#+12552-9.385866*T; 3200 N ! FUNCTION GHSERAU 298.15 -6938.856+106.830098*T-22.75455*T*LN(T) -.00385924*T**2+3.79625E-07*T**3-25097*T**(-1); 929.40 Y -93586.481+1021.69543*T-155.706745*T*LN(T)+.08756015*T**2 -1.1518713E-05*T**3+10637210*T**(-1); 1337.33 Y +314067.829-2016.37825*T+263.252259*T*LN(T)-.118216828*T**2 +8.923844E-06*T**3-67999832*T**(-1); 1735.80 Y -12133.783+165.272524*T-30.9616*T*LN(T); 3200 N ! FUNCTION GBCCAU 298.15 +GHSERAU#+4250-1.1*T; 3200 N ! FUNCTION GHCPAU 298.15 +GHSERAU#+240.75+1.6*T; 3200 N ! $ PAR G(LIQUID,AU;0),, +GLIQAU#;,, N ! PAR G(BCC_A2,AU:VA;0),, +GBCCAU#;,, N ! PAR G(FCC_A1,AU:VA;0),, +GHSERAU#;,, N ! PAR G(HCP_A3,AU:VA;0),, +GHCPAU#;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ B $ FUNCTION GHSERBB 298.14 -7735.284+107.111864*T-15.6641*T*LN(T) -0.006864515*T**2+6.18878E-07*T**3+370843*T**(-1); 1100.00 Y -16649.474+184.801744*T-26.6047*T*LN(T) -7.9809E-04*T**2-2.556E-08*T**3+1748270*T**(-1); 2348.00 Y -36667.582+231.336244*T-31.5957527*T*LN(T) -.00159488*T**2+1.34719E-07*T**3+11205883*T**(-1); 3000.00 Y -21530.653+222.396264*T-31.4*T*LN(T); 6000.0 N ! FUNCTION GLIQBB 298.14 +40723.275+86.843839*T-15.6641*T*LN(T) -0.006864515*T**2+6.18878E-07*T**3 +370843*T**(-1); 500.00 Y +41119.703+82.101722*T-14.9827763*T*LN(T) -0.007095669*T**2+5.07347E-07*T**3 +335484*T**(-1); 2348.00 Y +28842.012+200.94731*T-31.4*T*LN(T); 6000.0 N ! $ PAR G(GRAPHITE,B;0) 298.15 +10000-2*T+GHSERBB; 6000.0 N ! PAR G(LIQUID,B;0) 298.15 GLIQBB; 6000.0 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ BE $ FUNCTION GHSERBE 298.15 -8553.651+137.560219*T-21.204*T*LN(T)-0.00284715*T**2 -1.60413E-007*T**3+293690*T**(-1); 1527 Y -121305.858+772.405844*T-103.9842999*T*LN(T)+0.021078651*T**2 -1.119065E-006*T**3+27251743*T**(-1); 3000 N ! FUNCTION GBCCBE 298.15 -1076.057+109.411712*T-17.1727841*T*LN(T) -0.008672487*T**2+9.61427E-007*T**3+242309*T**(-1); 1527 Y -6970.378+196.411689*T-30*T*LN(T); 1560 Y -0.106219-2609.973+178.131722*T-27.7823769*T*LN(T)-0.000103629*T**2 -5.9331E-008*T**3-1250847*T**(-1); 3000 N ! FUNCTION GFCCBE 298.15 +6349-1.085*T+GHSERBE; 3000 N ! FUNCTION GLIQBE 298.15 7511.838+120.362788*T-20.0497038*T*LN(T) -0.004821347*T**2+4.15958E-007*T**3+281044*T**(-1); 1560 Y -0.118056+5364.713+156.961141*T-25.486*T*LN(T)-0.0010572*T**2 -1.117E-009*T**3+15920*T**(-1); 3000 N ! $ PARAMETER G(LIQUID,BE;0) 298.15 GLIQBE; 3000 N ! PARAMETER G(BCC_A2,BE:VA;0) 298.15 GBCCBE; 3000 N ! PARAMETER G(FCC_A1,BE:VA;0) 298.15 GFCCBE; 3000 N ! PARAMETER G(HCP_A3,BE:VA;0) 298.15 GHSERBE; 3000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ C $ FUNCTION GHSERCC 298.15 -17368.441+170.73*T-24.3*T*LN(T) -4.723E-04*T**2+2562600*T**(-1)-2.643E+08*T**(-2)+1.2E+10*T**(-3); 6000.00 N ! FUNCTION GDIACC 298.15 -16359.441+175.61*T-24.31*T*LN(T) -4.723E-04*T**2+2698000*T**(-1)-2.61E+08*T**(-2)+1.11E+10*T**(-3); 6000.00 N ! $ PAR G(GRAPHITE,C;0),, +GHSERCC;,, N ! PAR G(DIAMOND_A4,C;0),, +GDIACC;,, N ! PAR G(LIQUID,C;0),, +GHSERCC+117369-24.63*T;,, N ! PAR G(GAS,C;0),, +F3903T#+R#*T*LN(1E-05*P);,, N ! $ PHASE GRAPHENE5 % 1 1.0 ! CONSTITUENT GRAPHENE5 :C : ! PAR G(GRAPHENE5,C;0),, 39888.17753-444.15648*T+53.1493*T*LN(T); 2500 N ! $ $ PHASE GRAPHENE6 % 1 1.0 ! $ CONSTITUENT GRAPHENE6 :C : ! $ PAR G(GRAPHENE6,C;0),, 40002.52166-445.39391*T+53.2955*T*LN(T); 2500 N ! $$ $ PHASE GRAPHENE7 % 1 1.0 ! $ CONSTITUENT GRAPHENE7 :C : ! $ PAR G(GRAPHENE7,C;0),, 30805.47517-340.50671*T+39.80613*T*LN(T); 2500 N ! $ PHASE GRAPHENE8 % 1 1.0 ! CONSTITUENT GRAPHENE8 :C : ! PAR G(GRAPHENE8,C;0),, 30787.56788-340.53132*T+39.82081*T*LN(T); 2500 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ Ce $ Ce (GHSERCE for GFCCCE) FUNCTION GHSERCE 2.98150E+02 -7160.519+84.23022*T-22.3664*T*LN(T) -.0067103*T**2-3.20773E-07*T**3-18117*T**(-1); 1.00000E+03 Y -79678.506+659.4604*T-101.32248*T*LN(T)+.026046487*T**2 -1.930297E-06*T**3+11531707*T**(-1); 2.00000E+03 Y -14198.639+190.370192*T-37.6978*T*LN(T); 6.00000E+03 N ! FUNCTION GLIQCE 2.98150E+02 +4117.865-11.423898*T-7.5383948*T*LN(T) -.02936407*T**2+4.827734E-06*T**3-198834*T**(-1); 1.00000E+03 Y -6730.605+183.023193*T-37.6978*T*LN(T); 6.00000E+03 N ! FUNCTION GBCCCE 2.98150E+02 -1354.69-5.21501*T-7.7305867*T*LN(T) -.029098402*T**2+4.784299E-06*T**3-196303*T**(-1); 1.00000E+03 Y -12101.106+187.449688*T-37.6142*T*LN(T); 1.07200E+03 Y -11950.375+186.333811*T-37.4627992*T*LN(T)-5.7145E-05*T**2 +2.348E-09*T**3-25897*T**(-1); 6.00000E+03 N ! FUNCTION GHCPCE 2.98150E+02 +GHSERCE#+300; 4.00000E+03 N ! $ PARAMETER G(LIQUID,CE;0) 2.98150E+02 +GLIQCE#; 6000.00 N ! PARAMETER G(FCC_A1,CE:VA;0) 2.98150E+02 GHSERCE#; 6000.00 N ! PARAMETER G(BCC_A2,CE:VA;0) 2.98150E+02 GBCCCE#; 6000.00 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ CO $ FUNCTION GBCCCO 298.15 +2938-.7138*T+GHSERCO; 6000 N ! FUNCTION GFCCCO 298.15 +427.591-.615248*T+GHSERCO; 6000 N ! FUNCTION GHSERCO 298.15 +310.241+133.36601*T-25.0861*T*LN(T) -.002654739*T**2-1.7348E-07*T**3+72527*T**(-1); 1768 Y -17197.666+253.28374*T-40.5*T*LN(T)+9.3488E+30*T**(-9); 6000 N ! FUNCTION GLIQCO 298.15 +15085.037-8.931932*T-2.198E-21*T**7 +GHSERCO; 1768 Y -846.61+243.599944*T-40.5*T*LN(T); 6000 N ! FUNCTION GM23C6CO 298.15 +23*GHSERCO+6*GHSERCC+145000+116*T; 6000 N ! FUNCTION GM7C3CO 298.15 -5706.8662+1408.86491*T-249.279353*T*LN(T) +956821.275*T**(-1); 6000 N ! FUNCTION GM3C2CO 298.15 +63920+794.135*T-132.57*T*LN(T) -2.35E-05*T**2 +1296100*T**(-1); 6000 N ! PAR G(GAS,CO;0),, +F4058T+R*T*LN(1E-05*P);,, N ! PAR G(LIQUID,CO;0),, +GLIQCO;,, N ! PAR G(BCC_A2,CO:VA;0),, +GBCCCO;,, N ! PAR BMAGN(BCC_A2,CO:VA;0),, 1.35;,, N ! PAR TC(BCC_A2,CO:VA;0),, 1450;,, N ! PAR G(FCC,CO:VA;0),, +GFCCCO;,, N ! PAR BMAGN(FCC,CO:VA;0),, 1.35;,, N ! PAR TC(FCC,CO:VA;0),, 1395.998;,, N ! PAR BMAGN(HCP_A3,CO:VA;0),, 1.35;,, N ! PAR TC(HCP_A3,CO:VA;0),, 1395.988;,, N ! PAR G(HCP_A3,CO:VA;0),, +GHSERCO;,, N ! $ ------------------------------------------------------------------------------ $ $$$$$$ CR $ FUNCTION GHSERCR 298.15 -8856.94+157.48*T-26.908*T*LN(T) +0.00189435*T**2 -1.47721E-06*T**3+139250*T**(-1); 2180 Y -34869.344+344.18*T-50*T*LN(T)-2.88526E+32*T**(-9); 6000 N ! FUNCTION GLIQCR 298.15 +24339.955-11.420225*T+GHSERCR+2.37615E-21*T**7; 2180 Y -16459.984+335.616316*T-50*T*LN(T); 6000 N ! $ PAR G(LIQUID,CR;0) 298.15 +GLIQCR; 6000 N ! PAR G(FCC_A1,CR:VA;0) 298.15 +GHSERCR+7284+0.163*T; 6000 N ! PAR BM(FCC_A1,CR:VA;0) 298.15 -2.46; 6000 N ! PAR TC(FCC_A1,CR:VA;0) 298.15 -1109.00; 6000 N ! PAR G(BCC_A2,CR:VA;0) 298.15 +GHSERCR; 6000 N ! PAR BM(BCC_A2,CR:VA;0) 298.15 -0.008; 6000 N ! PAR TC(BCC_A2,CR:VA;0) 298.15 -311.50; 6000 N ! PAR G(HCP_A3,CR:VA;0) 298.15 +GHSERCR+4438; 6000 N ! PAR BM(HCP_A3,CR:VA;0) 298.15 -2.46; 6000 N ! PAR TC(HCP_A3,CR:VA;0) 298.15 -1109.00; 6000 N ! $----------------------------------------------------------------------------- $ $$$$$$ CU $ FUNCTION GHSERCU 289.15 -7770.458+130.485235*T-24.112392*T*LN(T) -.00265684*T**2+1.29223E-07*T**3+52478*T**(-1); 1357.77 Y -13542.026+183.803828*T-31.38*T*LN(T)+3.642E+29*T**(-9); 3200 N ! FUNCTION GBCCCU 289.15 +4017-1.255*T+GHSERCU; 3200 N ! FUNCTION GHCPCU 289.15 +600+.2*T+GHSERCU; 3200 N ! FUNCTION GBCTCU 289.15 +4184+GHSERCU; 3200 N ! PAR G(LIQUID,CU;0),, +12964.736-9.511904*T -5.849E-21*T**7+GHSERCU; 1358.02 Y +13495.481-9.922344*T-3.642E+29*T**(-9) +GHSERCU;,, N ! PAR G(BCC_A2,CU:VA;0),, +GBCCCU;,, N ! PAR G(FCC_A1,CU:VA;0),, +GHSERCU;,, N ! PAR G(HCP_A3,CU:VA;0),, +GHCPCU;,, N ! $ ------------------------------------------------------------------------------ $ DY $ Data from Huasen Shen, Weijing Zhang, Guoquan Liu, Run Wang and Zhenmin Du $ Report F-95-01, May 1995, University of Science and Technology, Beijing FUNCTION GHSERDY 100 -7937.16586+102.307412*T-26.3917167*T*LN(T) -7.61683657E-4*T**2-5.86914125E-7*T**3+4010.90565*T**(-1); 1000 Y -13733.3280+214.012934*T-43.8283359*T*LN(T)+1.66909801E-2*T**2 -3.49702836E-6*T**3+1.73619874E-2*T**(-1); 1654.15 Y -404681.371+2032.14150*T-272.123952*T*LN(T)+5.78301681E-2*T**2 -2.76169148E-6*T**3+109616238*T**(-1); 3000 N ! PARAMETER TC(HCP_A3,DY:VA;0) 100 179; 3000 N ! PARAMETER BMAGN(HCP_A3,DY:VA;0) 100 3.0; 3000 N ! $ $ Data from Huasen Shen, Weijing Zhang, Guoquan Liu, Run Wang and Zhenmin Du $ Report F-95-01, May 1995, University of Science and Technology, Beijing FUNCTION GBCCDY 100 -6428.98566+101.740795819*T -26.3917167*T*LN(T)-7.61683657E-4*T**2-5.86914125E-7*T**3 +4010.90565*T**(-1); 1000 Y 327500.062-2868.04585*T+391.515418*T*LN(T)-2.24042148E-1*T**2 +2.04076075E-5*T**3-48652656.5*T**(-1); 1654.15 Y -33708.7949+291.409631*T-50.208*T*LN(T); 1685.15 Y -40775.4966+330.318068*T-55.2811171*T*LN(T)+1.5254673E-3*T**2 -7.74371160E-8*T**3+1776589.32*T**(-1); 3000 N ! $ $ Data from Huasen Shen, Weijing Zhang, Guoquan Liu, Run Wang and Zhenmin Du $ Report F-95-01, May 1995, University of Science and Technology, Beijing FUNCTION GLIQDY 100 5259.45264+94.7630477*T-26.3917167*T*LN(T) -7.61683657E-4*T**2-5.86914125E-7*T**3+4010.90565*T**(-1); 1000 Y 300126.971-2519.78614*T+341.302578*T*LN(T)-1.96153225E-1*T**2 +1.76197799E-5*T**3-43071677.5*T**(-1); 1685.15 Y -21864.7344+282.205014*T-49.9151*T*LN(T); 3000 N ! $ PAR G(HCP_A3,DY:VA;0) 100.00 +GHSERDY; 3000 N ! PAR G(BCC_A2,DY:VA;0) 100.00 +GBCCDY; 3000 N ! PAR G(LIQUID,DY;0) 100.00 +GLIQDY; 3000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ FE $ FUNCTION GLIQFE 298.15 +GHSERFE#+12040.17-6.55843*T-3.67516E-21*T**7; 1811 Y -10838.83+291.302*T-46*T*LN(T); 6000 N ! FUNCTION GFCCFE 298.15 -236.7+132.416*T-24.6643*T*LN(T)-.00375752*T**2 -5.8927E-08*T**3+77359*T**(-1); 1811 Y -27097.3963+300.252559*T-46*T*LN(T)+2.78854E+31*T**(-9); 6000 N ! FUNCTION GHSERFE 298.15 +1225.7+124.134*T-23.5143*T*LN(T)-.00439752*T**2 -5.8927E-08*T**3+77359*T**(-1); 1811 Y -25383.581+299.31255*T-46*T*LN(T)+2.29603E+31*T**(-9); 6000 N ! FUNCTION GHCPFE 298.15 -2480.08+136.725*T-24.6643*T*LN(T)-.00375752*T**2 -5.8927E-08*T**3+77359*T**(-1); 1811 Y -29340.776+304.561559*T-46*T*LN(T)+2.78854E+31*T**(-9); 6000 N ! PAR G(LIQUID,FE;0),, +GLIQFE#;,, N ! PAR G(BCC_A2,FE:VA;0),, +GHSERFE#;,, N ! PAR TC(BCC_A2,FE:VA;0),, +1043;,, N ! PAR BMAGN(BCC_A2,FE:VA;0),, +2.22;,, N ! PAR G(CBCC_A12,FE:VA;0),, +GHSERFE#+4745;,, N ! PAR G(CUB_A13,FE:VA;0),, +GHSERFE#+3745;,, N ! PAR G(FCC_A1,FE:VA;0),, +GFCCFE#;,, N ! PAR TC(FCC_A1,FE:VA;0),, -201;,, N ! PAR BMAGN(FCC_A1,FE:VA;0),, -2.1;,, N ! PAR G(HCP_A3,FE:VA;0),, +GHCPFE#;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ HF $ FUNCTION GHSERHF 298.15 -6987.297+110.744026*T-22.7075*T*LN(T) -.004146145*T**2-4.77E-10*T**3-22590*T**(-1); 2.50600E+03 Y -1446776.33+6193.60999*T-787.536383*T*LN(T)+.1735215*T**2 -7.575759E-06*T**3+5.01742495E+08*T**(-1); 6000 N ! FUNCTION GBCCHF 298.15 +5370.703+103.836026*T-22.8995*T*LN(T) -.004206605*T**2+8.71923E-07*T**3-22590*T**(-1)-1.446E-10*T**4; 2.50600E+03 Y +1912456.77-8624.20573*T+1087.61412*T*LN(T)-.286857065*T**2 +1.3427829E-05*T**3-6.10085091E+08*T**(-1); 6000 N ! FUNCTION GFCCHF 298.15 +10000-2.2*T+GHSERHF#; 6000 N ! FUNCTION GLIQHF 298.15 +20414.959+99.790933*T -22.7075*T*LN(T)-.004146145*T**2-4.77E-10*T**3-22590*T**(-1); 1.00000E+03 Y +49731.499-149.91739*T+12.116812*T*LN(T)-.021262021*T**2 +1.376466E-06*T**3-4449699*T**(-1); 2.50600E+03 Y -4247.217+265.470523*T-44*T*LN(T); 6000 N REF0 ! $ PAR G(LIQUID,HF;0) 298.15 +GLIQHF; 6000 N ! PAR G(FCC_A1,HF:VA;0) 298.15 +GFCCHF; 6000 N ! PAR G(BCC_A2,HF:VA;0) 298.15 +GBCCHF; 6000 N ! PAR G(HCP_A3,HF:VA;0) 298.15 +GHSERHF; 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ GE $ FUNCTION GHSERGE 298.15 -9486.153+165.635573*T-29.5337682*T*LN(T) +0.005568297*T**2-1.513694E-006*T**3+163298*T**(-1); 900 Y -5689.239+102.86087*T-19.8536239*T*LN(T)-0.003672527*T**2; 1211.4 Y -9548.204+156.708024*T-27.6144*T*LN(T)-8.59809E+028*T**(-9); 3200 N ! FUNCTION GLIQGE 298.15 27655.337+134.94853*T-29.5337682*T*LN(T) +0.005568297*T**2-1.513694E-006*T**3+163298*T**(-1)+8.56632E-021*T**7; 900 Y 31452.25+72.173826*T-19.8536239*T*LN(T)-0.003672527*T**2 +8.56632E-021*T**7; 1211.4 Y 27243.473+126.324186*T-27.6144*T*LN(T); 3200 N ! FUNCTION GBCCGE 298.15 +34100-23.5*T+GHSERGE; 3200 N ! FUNCTION GFCCGE 298.15 +36000-22.3*T+GHSERGE; 3200 N ! FUNCTION GHCPGE 298.15 +35000-21.5*T+GHSERGE; 3200 N ! FUNCTION GBCTGE 298.15 +28800-16.5*T+GHSERGE; 3000 N ! $ PARAMETER G(LIQUID,GE;0) 298.15 GLIQGE; 3200 N ! PARAMETER G(BCC_A2,GE:VA;0) 298.15 GBCCGE; 3200 N ! PARAMETER G(FCC_A1,GE:VA;0) 298.15 GFCCGE; 3200 N ! PARAMETER G(HCP_A3,GE:VA;0) 298.15 GHCPGE; 3200 N ! PARAMETER G(BCT_A5,GE;0) 298.15 GBCTGE; 3000 N ! PARAMETER G(DIAMOND_A4,GE;0) 298.15 GHSERGE; 3200 N ! $----------------------------------------------------------------------------- $ $ La (GHSERSR for GDHCP) FUNCTION GHSERLA 2.98150E+02 -7968.403+120.284604*T-26.34*T*LN(T) -.001295165*T**2; 5.50000E+02 Y -3381.413+59.06113*T-17.1659411*T*LN(T)-.008371705*T**2 +6.8932E-07*T**3-399448*T**(-1); 2.00000E+03 Y -15608.882+181.390071*T-34.3088*T*LN(T); 4.00000E+03 N ! FUNCTION GLIQLA 2.98150E+02 +5332.653+18.23012*T -11.0188191*T*LN(T)-.020171603*T**2+2.93775E-06*T**3-133541*T**(-1); 1.13400E+03 Y -3942.004+171.018431*T-34.3088*T*LN(T); 4.00000E+03 N ! FUNCTION GFCCLA 2.98150E+02 -6109.797+89.878761*T -21.7919*T*LN(T)-.004045175*T**2-5.25865E-07*T**3; 1.13400E+03 Y -124598.976+955.878375*T-139.346741*T*LN(T)+.042032405*T**2 -3.066199E-06*T**3+20994153*T**(-1); 2.00000E+03 Y -12599.386+178.54399*T-34.3088*T*LN(T); 6.00000E+03 N ! FUNCTION GBCCLA 2.98150E+02 -3952.161+88.072353*T -21.7919*T*LN(T)-.004045175*T**2-5.25865E-07*T**3; 8.00000E+02 Y +321682.673-3565.08252*T+513.440708*T*LN(T)-.387295093*T**2 +4.9547989E-05*T**3-36581228*T**(-1); 1.13400E+03 Y -16377.894+218.492988*T-39.5388*T*LN(T); 1.19300E+03 Y -136609.91+1123.34397*T-163.413074*T*LN(T)+.053968535*T**2 -4.056395E-06*T**3+21167204*T**(-1); 2.00000E+03 Y -8205.988+174.836315*T-34.3088*T*LN(T); 6.00000E+03 N ! $ PARAMETER G(LIQUID,LA;0) 2.98150E+02 +GLIQLA#; 6000.00 N ! PARAMETER G(DHCP,LA:VA;0) 2.98150E+02 GHSERLA#; 6000.00 N ! PARAMETER G(FCC_A1,LA:VA;0) 2.98150E+02 GFCCLA#; 6000.00 N ! PARAMETER G(BCC_A2,LA:VA;0) 2.98150E+02 GBCCLA#; 6000.00 N ! PARA G(GRAPHITE,LA;0) 298.15 0; 6000 N! $ ----------------------------------------------------------------------------- $ $$$$$$ LI $ FUNCTION GHSERLI 200 -10583.817+217.637482*T-38.940488*T*LN(T) +0.035466931*T**2-1.9869816E-005*T**3+159994*T**(-1); 453.6 Y -559579.123+10547.87989*T-1702.888649*T*LN(T)+2.258329444*T**2 -0.000571066077*T**3+33885874*T**(-1); 500 Y -9062.994+179.278285*T-31.2283718*T*LN(T)+0.002633221*T**2 -4.38058E-007*T**3-102387*T**(-1); 3000 N ! FUNCTION GFCCLI 200 -108+1.3*T+GHSERLI; 3000 N ! FUNCTION GHCPLI 200 -154+2.0*T+GHSERLI; 3000 N ! FUNCTION GLIQLI 200 -7883.612+211.841861*T-38.940488*T*LN(T) +0.035466931*T**2-1.9869816E-005*T**3+159994*T**(-1); 250 Y 12015.027-362.187078*T+61.6104424*T*LN(T)-0.182426463*T**2 +6.3955671E-005*T**3-559968*T**(-1); 453.6 Y -6057.31+172.652183*T-31.2283718*T*LN(T)+0.002633221*T**2 -4.38058E-007*T**3-102387*T**(-1); 3000 N ! $ PAR G(LIQUID,LI;0) 200 GLIQLI; 3000 N ! PAR G(BCC_A2,LI:VA;0) 200 GHSERLI; 3000 N ! PAR G(FCC_A1,LI:VA;0) 200 GFCCLI; 3000 N ! PAR G(HCP_A3,LI:VA;0) 200 GHCPLI; 3000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ MG $ FUNCTION GHSERMG 298.15 -8367.34+143.675547*T-26.1849782*T*LN(T) +0.0004858*T**2-1.393669E-006*T**3+78950*T**(-1); 923 Y -14130.185+204.716215*T-34.3088*T*LN(T)+1.038192E+028*T**(-9); 3000 N ! FUNCTION GBCCMG 298.15 +3100-2.1*T+GHSERMG; 3000 N ! FUNCTION GCBCCMG 298.15 +4602.4-3.011*T+GHSERMG; 3000 N ! FUNCTION GCUBMG 298.15 +5000-3*T+GHSERMG; 3000 N ! FUNCTION GFCCMG 298.15 +2600-0.9*T+GHSERMG; 3000 N ! FUNCTION GHCPZN_MG 298.15 +100+GHSERMG; 3000 N ! FUNCTION GLIQMG 298.15 -165.097+134.838617*T-26.1849782*T*LN(T) +0.0004858*T**2-1.393669E-006*T**3+78950*T**(-1)-8.0176E-020*T**7; 923 Y -5439.869+195.324057*T-34.3088*T*LN(T); 3000 N ! $ PARAMETER G(LIQUID,MG;0) 298.15 GLIQMG; 3000 N ! PARAMETER G(BCC_A2,MG:VA;0) 298.15 GBCCMG; 3000 N ! PARAMETER G(FCC_A1,MG:VA;0) 298.15 GFCCMG; 3000 N ! PARAMETER G(HCP_A3,MG:VA;0) 298.15 GHSERMG; 3000 N ! PARAMETER G(CBCC_A12,MG:VA;0) 298.15 GCBCCMG; 3000 N ! PARAMETER G(CUB_A13,MG:VA;0) 298.15 GCUBMG; 3000 N ! PARAMETER G(HCP_ZN,MG:VA;0) 298.15 GHCPZN_MG; 3000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ MN $ FUNCTION GLIQMN 298.15 +GHSERMN#+17859.91-12.6208*T-4.41929E-21*T**7; 1519 Y -9993.9+299.036*T-48*T*LN(T); 2000 N ! FUNCTION GFCCMN 298.15 -3439.3+131.884*T-24.5177*T*LN(T)-.006*T**2 +69600*T**(-1); 1519 Y -26070.1+309.6664*T-48*T*LN(T)+3.86196E+30*T**(-9); 2000 N ! FUNCTION GBCCMN 298.15 -3235.3+127.85*T-23.7*T*LN(T)-.00744271*T**2 +60000*T**(-1); 1519 Y -23188.83+307.7043*T-48*T*LN(T)+1.265152E+30*T**(-9); 2000 N ! FUNCTION GHCPMN 298.15 -4439.3+133.007*T-24.5177*T*LN(T)-.006*T**2 +69600*T**(-1); 1519 Y -27070.1+310.7894*T-48*T*LN(T)+3.86196E+30*T**(-9); 2000 N ! FUNCTION GHSERMN 298.15 -8115.28+130.059*T-23.4582*T*LN(T) -.00734768*T**2+69827*T**(-1); 1519 Y -28733.41+312.2648*T-48*T*LN(T)+1.656847E+30*T**(-9); 2000 N ! PAR G(LIQUID,MN;0),, +GLIQMN#; 2000 N ! PAR G(BCC_A2,MN:VA;0),, +GBCCMN#; 2000 N ! PAR TC(BCC_A2,MN:VA;0),, -580; 2000 N ! PAR BMAGN(BCC_A2,MN:VA;0),, -.27; 2000 N ! PAR G(CBCC_A12,MN:VA;0),, +GHSERMN#; 2000 N ! PAR TC(CBCC_A12,MN:VA;0),, -285; 2000 N ! PAR BMAGN(CBCC_A12,MN:VA;0),, -.66; 2000 N ! PAR G(CUB_A13,MN:VA;0),, -5800.4+135.995*T-24.8785*T*LN(T) -.00583359*T**2+70269*T**(-1); 1519 Y -28290.76+311.2933*T-48*T*LN(T) +3.96757E+30*T**(-9); 2000 N ! PAR G(FCC_A1,MN:VA;0),, +GFCCMN#; 2000 N ! PAR TC(FCC_A1,MN:VA;0),, -1620; 2000 N ! PAR BMAGN(FCC_A1,MN:VA;0),, -1.86; 2000 N ! PAR G(HCP_A3,MN:VA;0),, +GHCPMN#; 2000 N ! PAR TC(HCP_A3,MN:VA;0),, -1620; 2000 N ! PAR BMAGN(HCP_A3,MN:VA;0),, -1.86; 2000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ MO $ FUNCTION GHSERMO 298.15 -7746.302+131.9197*T-23.56414*T*LN(T)-3.443396E-3*T**2+0.566283E-6*T**3 +65812*T**(-1)-0.130927E-9*T**4; 2896.00 Y -30556.41+283.559746*T-42.63829*T*LN(T)-4849.315E30*T**(-9); 5000.00 N ! FUNCTION GLIQMO 298.15 +34085.045+117.224788*T-23.56414*T*LN(T)-3.443396E-3*T**2+0.566283E-6*T**3 +65812*T**(-1)-0.130927E-9*T**4+424.519E-24*T**7; 2896.00 Y +3538.963+271.6697*T-42.63829*T*LN(T); 5000.00 N ! FUNCTION GFCCMO 298.15 +7453.698+132.5497*T-23.56414*T*LN(T)-3.443396E-3*T**2+0.566283E-6*T**3 +65812*T**(-1)-0.130927E-9*T**4; 2896.00 Y -15356.41+284.189746*T-42.63829*T*LN(T)-4849.315E30*T**(-9); 5000.00 N ! FUNCTION GHCPMO 298.15 +GHSERMO+11550; 5000 N ! $ PAR G(GAS,MO;0) 298.15 +F12536T+RTLNP; 6000 N ! PAR G(LIQUID,MO;0) 298.15 +GLIQMO; 6000 N ! PAR G(FCC_A1,MO:VA;0) 298.15 +GFCCMO; 6000 N ! PAR G(BCC_A2,MO:VA;0) 298.15 +GHSERMO; 6000 N ! PAR G(HCP_A3,MO:VA;0) 298.15 +GHCPMO; 6000 N ! PAR G(MC_ETA,MO:VA;0) 298.15 +GHSERMO+15200+0.63*T; 6000 N ! $ ----------------------------------------------------------------------------- $$$$$$ NB $ PAR G(BCC_A2,NB:VA),, +GHSERNB;,, N ! PAR G(FCC_A1,NB:VA),, +GHSERNB+13500+1.7*T;,, N ! PAR G(HCP_A3,NB:VA),, +GHSERNB+10000+2.4*T;,, N ! PAR G(LIQUID,NB),, +GLIQNB;,, N ! $ $ FUNCTION GHSERNB 298.15 -8519.353+142.045475*T-26.4711*T*LN(T) +2.03475E-04*T**2-3.5012E-07*T**3+93399*T**(-1); 2750.00 Y -37669.3+271.720843*T-41.77*T*LN(T)+1.528238E+32*T**(-9); 6000.00 N ! FUNCTION GLIQNB 298.15 +29781.555-10.816418*T+GHSERNB-3.06098E-23*T**7; 2750.00 Y -7499.398+260.756148*T-41.77*T*LN(T); 6000.00 N ! FUNCTION GFCCNB 298.15 +GHSERNB+13500+1.7*T; 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ NI $ FUNCTION GLIQNI 298.15 +GHSERNI#+16414.686-9.397*T-3.82318E-21*T**7; 1728 Y -9549.817+268.597977*T-43.1*T*LN(T); 3000 N ! FUNCTION GHSERNI 298.15 -5179.159+117.854*T-22.096*T*LN(T)-.0048407*T**2; 1728 Y -27840.62+279.134977*T-43.1*T*LN(T)+1.12754E+31*T**(-9); 3000 N ! FUNCTION GBCCNI 298.15 +GHSERNI#+8715.084-3.556*T; 3000 N ! FUNCTION GHCPNI 298.15 +GHSERNI#+1046+1.2552*T; 3000 N ! FUNCTION GFCCNI 298.15 +GHSERNI#; 4000 N ! FUNCTION GDHCNI 298.15 0.5*GHSERNI+0.5*GFCCTI; 4000 N ! $ PAR G(LIQUID,NI;0),, +GLIQNI#;,, N ! PAR G(BCC_A2,NI:VA;0),, +GBCCNI#;,, N ! PAR TC(BCC_A2,NI:VA;0),, +575;,, N ! PAR BMAGN(BCC_A2,NI:VA;0),, +0.85;,, N ! PAR G(CBCC_A12,NI:VA;0),, +GHSERNI#+3556;,, N ! PAR G(CUB_A13,NI:VA;0),, +GHSERNI#+2092;,, N ! PAR G(FCC_A1,NI:VA;0),, +GHSERNI#;,, N ! PAR TC(FCC_A1,NI:VA;0),, +633;,, N ! PAR BMAGN(FCC_A1,NI:VA;0),, +0.52;,, N ! PAR G(HCP_A3,NI:VA;0),, +GHCPNI#;,, N ! PAR TC(HCP_A3,NI:VA;0),, +633;,, N ! PAR BMAGN(HCP_A3,NI:VA;0),, +0.52;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ PD $ FUNCTION GLIQPD 298.15 +1302.731+170.964153*T-32.211*T*LN(T) +.007120975*T**2-1.919875E-06*T**3+168687*T**(-1); 600 Y +23405.778-116.918419*T+10.8922031*T*LN(T)-.027266568*T**2 +2.430675E-06*T**3-1853674*T**(-1); 1828 Y -12373.637+251.416903*T-41.17*T*LN(T); 4000 N ! FUNCTION GHSERPD 298.15 -10204.027+176.076315*T-32.211*T*LN(T) +.007120975*T**2-1.919875E-06*T**3+168687*T**(-1); 900 Y +917.062+49.659892*T-13.5708*T*LN(T)-.00717522*T**2+1.91115E-07*T**3 -1112465*T**(-1); 1828 Y -67161.018+370.102147*T-54.2067086*T*LN(T)+.002091396*T**2 -6.2811E-08*T**3+18683526*T**(-1); 4000 N ! FUNCTION GBCCPD 298.15 +GHSERPD#+10500-1.8*T; 4000 N ! FUNCTION GHCPPD 298.15 +GHSERPD#+2000+.1*T; 4000 N ! $ PAR G(LIQUID,PD;0),, +GLIQPD#;,, N ! PAR G(BCC_A2,PD:VA;0),, +GBCCPD#;,, N ! PAR G(FCC,PD:VA;0),, +GHSERPD#;,, N ! PAR G(HCP_A3,PD:VA;0),, +GHCPPD#;,, N ! $----------------------------------------------------------------------------- $ $ Pr (GHSERPR for GDHCP) FUNCTION GHSERPR 2.98150E+02 -18803.379+356.587384*T-68.9176*T*LN(T) +.072929*T**2-2.5184333E-05*T**3+507385*T**(-1); 5.00000E+02 Y -7246.848+82.427384*T-22.8909*T*LN(T)-.00497126*T**2-1.22951E-06*T**3; 8.00000E+02 Y +95411.023-1073.55111*T+146.764*T*LN(T)-.1288205*T**2 +1.5592233E-05*T**3-11588800*T**(-1); 1.06800E+03 Y -481663.131+4234.33311*T-606.120311*T*LN(T)+.305181506*T**2 -3.0994702E-05*T**3+70926840*T**(-1); 1.20400E+03 Y -20014.678+227.685155*T-42.9697*T*LN(T); 6.00000E+03 N ! FUNCTION GLIQPR 2.98150E+02 +3848.961-29.099465*T-4.7344931*T*LN(T) -.035119723*T**2+5.427467E-06*T**3-207406*T**(-1); 1.06800E+03 Y -10539.574+219.508805*T-42.9697*T*LN(T); 6.00000E+03 N ! FUNCTION GBCCPR 2.98150E+02 -2863.651+28.274853*T-13.7470527*T*LN(T) -.02284377*T**2+3.542468E-06*T**3-87486*T**(-1); 1.06800E+03 Y -11985.919+188.657121*T-38.451*T*LN(T); 1.20400E+03 Y +953.224+100.826281*T-26.6824313*T*LN(T)-.004106833*T**2 +1.76214E-07*T**3-2473024*T**(-1); 6.00000E+03 N ! $ PARAMETER G(LIQUID,PR;0) 2.98150E+02 +GLIQPR#; 6000.00 N ! PARAMETER G(DHCP,PR:VA;0) 2.98150E+02 GHSERPR#; 6000.00 N ! PARAMETER G(BCC_A2,PR:VA;0) 2.98150E+02 GBCCPR#; 6000.00 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ PT $ FUNCTION GLIQPT 298.15 +12518.385+115.113092*T-24.5526*T*LN(T) -.00248297*T**2-2.0138E-08*T**3+7974*T**(-1); 600 Y +19023.491+32.94182*T-12.3403769*T*LN(T)-.011551507*T**2 +9.31516E-07*T**3-601426*T**(-1); 2041.50 Y +1404.468+205.858962*T-36.5*T*LN(T); 4000 N ! FUNCTION GHSERPT 298.15 -7595.631+124.388275*T-24.5526*T*LN(T) -.00248297*T**2-2.0138E-08*T**3+7974*T**(-1); 1300 Y -9253.174+161.529615*T-30.2527*T*LN(T)+.002321665*T**2 -6.56946E-07*T**3-272106*T**(-1); 2041.50 Y -222048.216+1019.35892*T-136.192996*T*LN(T)+.020454938*T**2 -7.59259E-07*T**3+71539020*T**(-1); 4000 N ! FUNCTION GBCCPT 298.15 +GHSERPT#+15000-2.4*T; 4000 N ! FUNCTION GHCPPT 298.15 +GHSERPT#+2500+.1*T; 4000 N ! $ PAR G(LIQUID,PT;0),, +GLIQPT#;,, N ! PAR G(BCC_A2,PT:VA;0),, +GBCCPT#;,, N ! PAR G(FCC_A1,PT:VA;0),, +GHSERPT#;,, N ! PAR G(HCP_A3,PT:VA;0),, +GHCPPT#;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ RE $ FUNCTION GLIQRE 298.15 +16125.604+122.076209*T-24.348*T*LN(T) -.00253505*T**2+1.92818E-07*T**3+32915*T**(-1); 1200 Y +8044.885+188.322047*T-33.586*T*LN(T)+.00224565*T**2-2.81835E-07*T**3 +1376270*T**(-1); 2000 Y +568842.665-2527.83846*T+314.178898*T*LN(T)-.08939817*T**2 +3.92854E-06*T**3-1.63100987E+08*T**(-1); 3458 Y -39044.888+335.723691*T-49.519*T*LN(T); 6000 N ! FUNCTION GHSERRE 298.15 -7695.279+128.421589*T-24.348*T*LN(T) -.00253505*T**2+1.92818E-07*T**3+32915*T**(-1); 1200 Y -15775.998+194.667426*T-33.586*T*LN(T)+.00224565*T**2-2.81835E-07*T**3 +1376270*T**(-1); 2400 Y -70882.739+462.110749*T-67.956*T*LN(T)+.01184945*T**2-7.88955E-07*T**3 +18075200*T**(-1); 3458 Y +346325.888-1211.37186*T+140.831655*T*LN(T)-.033764567*T**2 +1.053726E-06*T**3-1.34548866E+08*T**(-1); 5000 Y -78564.296+346.997842*T-49.519*T*LN(T); 6000 N ! FUNCTION GFCCRE 298.15 +GHSERRE#+11000-1.5*T; 6000 N ! FUNCTION GBCCRE 298.15 +GHSERRE#+17000-3.7*T; 6000 N ! $ PAR G(LIQUID,RE;0),, +GLIQRE#;,, N ! PAR G(BCC_A2,RE:VA;0),, +GBCCRE#;,, N ! PAR G(FCC_A1,RE:VA;0),, +GFCCRE#;,, N ! PAR G(HCP_A3,RE:VA;0),, +GHSERRE#;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ RU $ FUNCTION GLIQRU 298.15 +19918.743+119.467485*T-22.9143287*T*LN(T) -.004062566*T**2+1.7641E-07*T**3+56377*T**(-1); 800 Y +50827.232-179.818561*T+19.539341*T*LN(T)-.026524167*T**2 +1.667839E-06*T**3-3861125*T**(-1); 2607 Y -17161.807+349.673561*T-51.8816*T*LN(T); 4500 N ! FUNCTION GFCCRU 298.15 +GHSERRU#+12500-2.4*T; 4500 N ! FUNCTION GBCCRU 298.15 +GHSERRU#+21500-5.05*T; 4500 N ! FUNCTION GHSERRU 298.15 -7561.873+127.866233*T-22.9143287*T*LN(T) -.004062566*T**2+1.7641E-07*T**3+56377*T**(-1); 1500 Y -59448.103+489.516214*T-72.3241219*T*LN(T)+.018726245*T**2 -1.952433E-06*T**3+11063885*T**(-1); 2607 Y -38588773+168610.517*T-21329.705*T*LN(T)+5.221639*T**2 -2.40245985E-04*T**3+1.30829926E+10*T**(-1); 2740 Y -55768.304+364.482314*T-51.8816*T*LN(T); 4500 N ! $ PAR G(LIQUID,RU;0),, +GLIQRU#;,, N ! PAR G(BCC_A2,RU:VA;0),, +GBCCRU#;,, N ! PAR G(FCC_A1,RU:VA;0),, +GFCCRU#;,, N ! PAR G(HCP_A3,RU:VA;0),, +GHSERRU#;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ RH $ FUNCTION GLIQRH 298.15 +11244.082+125.099593*T-24.0178336*T*LN(T) -.003424186*T**2-1.68032E-07*T**3+55846*T**(-1); 700 Y +35898.508-147.926418*T+15.6492377*T*LN(T)-.028665357*T**2 +2.100572E-06*T**3-2638940*T**(-1); 2237 Y -18208.54+332.974832*T-50.58456*T*LN(T); 2500 N ! FUNCTION GHSERRH 298.15 -7848.828+132.020923*T-24.0178336*T*LN(T) -.003424186*T**2-1.68032E-07*T**3+55846*T**(-1); 1200 Y -28367.852+305.771019*T-48.3766632*T*LN(T)+.00966345*T**2 -1.512774E-06*T**3+3348162*T**(-1); 2237 Y -6237470.48+30151.6342*T-3874.21058*T*LN(T)+1.04921361*T**2 -5.3978814E-05*T**3+1.88036218E+09*T**(-1); 2450 Y -44863.489+344.889895*T-50.58456*T*LN(T); 2500 N ! FUNCTION GBCCRH 298.15 +GHSERRH#+19000-4.7*T; 2500 N ! FUNCTION GHCPRH 298.15 +GHSERRH#+3000-.5*T; 2500 N ! $ PAR G(LIQUID,RH;0),, +GLIQRH#;,, N ! PAR G(BCC_A2,RH:VA;0),, +GBCCRH#;,, N ! PAR G(FCC_A1,RH:VA;0),, +GHSERRH#;,, N ! PAR G(HCP_A3,RH:VA;0),, +GHCPRH#;,, N ! $ ------------------------------------------------------------------------------ $ SI $ FUNCTION GHSERSI 298.15 -8162.609+137.236859*T-22.8317533*T*LN(T) -.001912904*T**2-3.552E-09*T**3+176667*T**(-1); 1.68700E+03 Y -9457.642+167.281367*T-27.196*T*LN(T)-4.20369E+30*T**(-9); 3.60000E+03 N ! FUNCTION GLIQSI 298.15 +50696.4-30.0994*T+2.09307E-21*T**7 +GHSERSI#; 1.68700E+03 Y +49828.2-29.5591*T+4.20369E+30*T**(-9)+GHSERSI#; 6.00000E+03 N ! $ PAR G(BCC_A2,SI:VA;0) 298.15 +47000-22.5*T+GHSERSI;,, N ! PAR G(LIQUID,SI;0) 298.15 +GLIQSI; 6000 N ! PAR G(DIAMOND_A4,SI;0) 298.15 +GHSERSI; 6000 N ! PAR G(HCP_A3,SI:VA;0) 298.15 +49200-20.8*T+GHSERSI;,, N ! $ ------------------------------------------------------------------------------ $ $$$$$$ SN $ PAR G(LIQUID,SN;0) 100 +GLIQSN#; 3000 N 91DIN ! PAR G(FCC_A1,SN:VA;0) 100 +GFCCSN#; 3000 N 91DIN ! PAR G(BCC_A2,SN:VA;0) 100 +GBCCSN#; 3000 N 91DIN ! PAR G(BCT_A5,SN;0) 100 +GHSERSN#; 3000 N 91DIN ! PAR G(CBCC_A12,SN:VA;0) 100 +GHSERSN#+2000; 3000 N ! PAR G(CUB_A13,SN:VA;0) 100 +GHSERSN#+2000; 3000 N ! PAR G(HCP_A3,SN:VA;0) 100 +GHCPSN#; 3000 N ! PAR G(DIAMOND_A4,SN;0) 100 -9579.608+114.007785*T -22.972*T*LN(T)-.00813975*T**2+2.7288E-06*T**3+25615*T**(-1); 298.15 Y -9063.001+104.84654*T-21.5750771*T*LN(T)-.008575282*T**2 +1.784447E-06*T**3-2544*T**(-1); 800 Y -10909.353+147.396537*T-28.4512*T*LN(T); 3000 N ! $ FUNCTION GLIQSN 100 +GHSERSN#+7103.092-14.087767*T+1.47031E-18*T**7; 505.08 Y +9496.31-9.809114*T-8.2590486*T*LN(T)-.016814429*T**2 +2.623131E-06*T**3-1081244*T**(-1); 800 Y -1285.372+125.182498*T-28.4512*T*LN(T); 3000 N ! FUNCTION GHCPSN 100 +GHSERSN#+3900-7.646*T; 3000 N ! FUNCTION GFCCSN 100 +GHSERSN#+4150-5.2*T; 3000 N ! FUNCTION GBCCSN 100 +GHSERSN#+4400-6*T; 3000 N ! FUNCTION GHSERSN 100 -7958.517+122.765451*T-25.858*T*LN(T) +5.1185E-04*T**2-3.192767E-06*T**3+18440*T**(-1); 250 Y -5855.135+65.443315*T-15.961*T*LN(T)-.0188702*T**2+3.121167E-06*T**3 -61960*T**(-1); 505.08 Y +2524.724+4.005269*T-8.2590486*T*LN(T)-.016814429*T**2 +2.623131E-06*T**3-1081244*T**(-1)-1.2307E+25*T**(-9); 800 Y -8256.959+138.99688*T-28.4512*T*LN(T)-1.2307E+25*T**(-9); 3000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ TA $ FUNCTION GHSERTA 298.15 -7285.889+119.139857*T-23.7592624*T*LN(T) -.002623033*T**2+1.70109E-07*T**3-3293*T**(-1); 1.30000E+03 Y -22389.955+243.88676*T-41.137088*T*LN(T)+.006167572*T**2 -6.55136E-07*T**3+2429586*T**(-1); 2.50000E+03 Y +229382.886-722.59722*T+78.5244752*T*LN(T)-.017983376*T**2 +1.95033E-07*T**3-93813648*T**(-1); 3.29000E+03 Y -1042384.01+2985.49125*T-362.159132*T*LN(T)+.043117795*T**2 -1.055148E-06*T**3+5.54714342E+08*T**(-1); 6000 N ! FUNCTION GLIQTA 298.15 +21875.086+111.561128*T-23.7592624*T*LN(T) -.002623033*T**2+1.70109E-07*T**3-3293*T**(-1); 1.00000E+03 Y +43884.339-61.981795*T+.0279523*T*LN(T)-.012330066*T**2 +6.14599E-07*T**3-3523338*T**(-1); 3.29000E+03 Y -6314.543+258.110873*T-41.84*T*LN(T); 6000 N ! FUNCTION GFCCTA 298.15 +GHSERTA#+16000+1.7*T; 6000 N ! FUNCTION GHCPTA 298.15 +GHSERTA#+12000+2.4*T; 6000 N ! $ PAR G(LIQUID,TA;0) 298.15 +GLIQTA; 6000 N ! PAR G(FCC_A1,TA:VA;0) 298.15 +GFCCTA; 6000 N ! PAR G(BCC_A2,TA:VA;0) 298.15 +GHSERTA; 6000 N ! PAR G(HCP_A3,TA:VA;0) 298.15 +GHCPTA; 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ TI $ FUNCTION GHSERTI 298.15 -8059.921+133.615208*T-23.9933*T*LN(T) -0.004777975*T**2+1.06716E-07*T**3+72636*T**(-1); 900.00 Y -7811.815+132.988068*T-23.9887*T*LN(T) -0.0042033*T**2-9.0876E-08*T**3+42680*T**(-1); 1155.00 Y +908.837+66.976538*T-14.9466*T*LN(T) -0.0081465*T**2+2.02715E-07*T**3-1477660*T**(-1); 1941.00 Y -124526.786+638.806871*T-87.2182461*T*LN(T) +0.008204849*T**2-3.04747E-07*T**3+36699805*T**(-1); 4000.00 N ! FUNCTION GBCCTI 298.15 -1272.064+134.71418*T-25.5768*T*LN(T) -6.63845E-04*T**2-2.78803E-07*T**3+7208*T**(-1); 1155.00 Y +6667.385+105.366379*T-22.3771*T*LN(T) +0.00121707*T**2-8.4534E-07*T**3-2002750*T**(-1); 1941.00 Y +26483.26-182.426471*T+19.0900905*T*LN(T) -0.02200832*T**2+1.228863E-06*T**3+1400501*T**(-1); 4000.00 N ! FUNCTION GLIQTI 298.15 +12194.415-6.980938*T+GHSERTI; 1300.00 Y +369519.198-2554.0225*T+342.059267*T*LN(T) -0.163409355*T**2+1.2457117E-05*T**3-67034516*T**(-1); 1941.00 Y -19887.066+298.7367*T-46.29*T*LN(T); 4000.00 N ! FUNCTION GFCCTI 298.15 +GHSERTI+6000-0.1*T; 4000 N ! FUNCTION GDHCTI 298.15 0.5*GHSERTI+0.5*GFCCTI; 4000 N ! $ PAR G(HCP_A3,TI:VA;0),, +GHSERTI;,, N ! PAR G(BCC_A2,TI:VA;0),, +GBCCTI;,, N ! PAR G(FCC_A1,TI:VA;0),, +GHSERTI+6000-0.1*T;,, N ! PAR G(LIQUID,TI;0),, +GLIQTI;,, N ! PAR G(CBCC_A12,TI:VA;0) 298.15 +GHSERTI#+4602.2; 4000 N ! PAR G(CUB_A13,TI:VA;0) 298.15 +GHSERTI#+7531.2; 4000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ V $ FUNCTION GHSERVV 298.15 -7930.43+133.346053*T-24.134*T*LN(T) -0.003098*T**2+1.2175E-07*T**3+69460*T**(-1); 790.00 Y -7967.842+143.291093*T-25.9*T*LN(T) +6.25E-05*T**2-6.8E-07*T**3; 2183.00 Y -41689.864+321.140783*T-47.43*T*LN(T)+6.44389E+31*T**(-9); 4000.00 N ! FUNCTION GLIQVV 298.15 +20764.117-9.455552*T+GHSERVV-5.19136E-22*T**7; 2183.00 Y -19617.51+311.055983*T-47.43*T*LN(T); 4000.00 N ! $ PAR G(BCC_A2,V:VA),, +GHSERVV; 4000 N 91DIN ! PAR G(FCC_A1,V:VA),, +GHSERVV+7500+1.7*T; 4000 N 91DIN ! PAR G(HCP_A3,V:VA),, +GHSERVV+4000+2.4*T; 4000 N 91DIN ! PAR G(LIQUID,V),, +GLIQVV; 4000 N 91DIN ! $ ----------------------------------------------------------------------------- $ $$$$$$ W $ $ PAR G(GAS,V;0) 298.15 +F15914T+R*T*LN(9.8692327E-06*P); 6000 N ! FUNCTION GHSERWW 298.15 -7646.311+130.4*T-24.1*T*LN(T)-.001936*T**2 +2.07E-07*T**3+44500*T**(-1)-5.33E-11*T**4; 3695 Y -82868.801+389.362335*T-54*T*LN(T)+1.528621E+33*T**(-9); 6000 N ! FUNCTION GLIQWW 298.15 +GHSERWW+52160.584-14.10999*T-2.713468E-24*T**7; 3695 Y -30436.051+375.175*T-54*T*LN(T); 6000 N ! FUNCTION GFCCWW 298.15 +GHSERWW+19300+.63*T; 6000 N ! FUNCTION GHCPWW 298.15 +GHSERWW+14750; 6000 N ! $ PAR G(LIQUID,W;0) 298.15 +GLIQWW; 6000 N ! PAR G(FCC_A1,W:VA;0) 298.15 +GFCCWW; 6000 N ! PAR G(BCC_A2,W:VA;0) 298.15 +GHSERWW; 6000 N ! PAR G(HCP_A3,W:VA;0) 298.15 +GHCPWW; 6000 N ! PAR G(MC_ETA,W:VA;0) 298.15 +GHSERWW+19300+0.63*T; 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ Y $ FUNCTION GHSERYY 2.98000E+02 -7347.055+117.532124*T-23.8685*T*LN(T) -.003845475*T**2+1.1125E-08*T**3-16486*T**(-1); 1.50000E+03 Y -15802.62+229.831717*T-40.2851*T*LN(T)+.0068095*T**2-1.14182E-06*T**3; 1.79900E+03 Y -72946.216+393.885821*T-58.2078433*T*LN(T)+.002436461*T**2 -7.2627E-08*T**3+20866567*T**(-1); 3.70000E+03 N ! FUNCTION GBCCYY 2.98000E+02 -1861.198+97.522398*T-20.940576*T*LN(T) -.007995833*T**2+7.58716E-07*T**3-54349*T**(-1); 1.75200E+03 Y -10207.724+195.741984*T-35.0201*T*LN(T); 1.79900E+03 Y +104813.954-386.167564*T+39.8075986*T*LN(T)-.019918739*T**2 +8.41308E-07*T**3-31549963*T**(-1); 3.70000E+03 N ! FUNCTION GLIQYY 2.98000E+02 +3934.121+59.921688*T-14.8146562*T*LN(T) -.015623487*T**2+1.442946E-06*T**3-140695*T**(-1); 1.79900E+03 Y -13337.609+258.004539*T-43.0952*T*LN(T); 3.70000E+03 N ! $ PAR G(HCP_A3,Y:VA;0) 100.00 +GHSERYY; 3700 N ! PAR G(BCC_A2,Y:VA;0) 100.00 +GBCCYY; 3700 N ! PAR G(FCC_A1,Y:VA;0) 100.00 +GHSERYY+6000; 3700 N ! PAR G(LIQUID,Y;0) 100.00 +GLIQYY; 3700 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ ZN $ $ FUNCTION GHSERZN 298.15 -7285.787+118.470069*T-23.701314*T*LN(T) -0.001712034*T**2-1.264963E-06*T**3; 692.68 Y -11070.559+172.34566*T-31.38*T*LN(T)+4.70514E+26*T**(-9); 1700.00 N ! FUNCTION GLIQZN 298.15 +7157.213-10.29299*T+GHSERZN-3.58958E-19*T**7; 692.68 Y -3620.391+161.608594*T-31.38*T*LN(T); 1700.00 N ! FUNCTION GBCCZN 298.15 +GHSERZN+2886.96-2.5104*T; 6000 N ! $ PAR G(GAS,ZN;0) 2.98150E+02 +F15856T#+R#*T*LN(1E-05*P); 6.00000E+03 N ! PAR G(HCP_A3,ZN:VA),, +GHSERZN+2969.82-1.56968*T;,, N ! PAR G(FCC_A1,ZN:VA),, +GHSERZN+2969.82-1.56968*T;,, N ! PAR G(BCC_A2,ZN:VA),, +GHSERZN+2886.96-2.5104*T;,, N ! PAR G(LIQUID,ZN),, +GLIQZN;,, N ! PAR G(HCP_ZN,ZN:VA;0) 298.15 +GHSERZN#; 1700 N REF3 ! $ ----------------------------------------------------------------------------- $ $$$$$$ ZR $ FUNCTION GLIQZR 298.15 +10318.7+116.5682*T-24.1618*T*LN(T) -.00437791*T**2+34971*T**(-1)+1.62745837E-22*T**7; 2128 Y -8282.65+253.8126*T-42.144*T*LN(T); 6000 N ! FUNCTION GBCCZR 298.15 -526.9+124.9457*T-25.607406*T*LN(T) -3.4008415E-04*T**2-9.72897347E-09*T**3+25233*T**(-1) -7.61428942E-11*T**4; 2128 Y -30707.35+264.2842*T-42.144*T*LN(T)+1.26615989E+32*T**(-9); 6000 N ! FUNCTION GHSERZR 130 -7827.595+125.64905*T-24.1618*T*LN(T)-.00437791*T**2 +34971*T**(-1); 2128 Y -26085.921+262.724183*T-42.144*T*LN(T)-1.342896E+31*T**(-9); 6000 N ! $ PAR G(BCC_A2,ZR:VA;0) 298.15 +GBCCZR#; 6000 N REF0 ! PAR G(FCC_A1,ZR:VA;0) 298.15 -227.595+124.74905*T -24.1618*T*LN(T)-.00437791*T**2+34971*T**(-1); 2128 Y -18485.921+261.824183*T-42.144*T*LN(T)-1.342896E+31*T**(-9); 6000 N REF0 ! PAR G(HCP_A3,ZR:VA;0) 298.15 +GHSERZR#; 6000 N REF0 ! PAR G(LIQUID,ZR;0) 298.15 +GLIQZR#; 6000 N REF0 ! $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- $$$$$$$$$$$$$$$$$$$$$$$ BINARY SYSTEM $$$$$$$$$$$$$$$$$$$$$$$$$$$$ $ ----------------------------------------------------------------------------- $ ----------------------------------------------------------------------------- $ $$$$$$ AG-C $ NO DATA $ ------------------------------------------------------------------------------ $ AL-C $ $ FROM J. GROEBNER ET AL. 1995 (INCLUDED IN LB VOL. 1). $ $ A MISPRINT IN THEPAR LIST WAS CORRECTED IN 96GRO. $ NOPARS FOR FCC ARE INCLUDED IN 95GRO OR 96GRO. $ $ REASONABLEPARS FOR FCC AND BCC ADDED BY CONNETABLE ET AL. 2008 $ $ CHECKED AGAINST LB AND PAPER. CHECKED AT 6000 K. $ PAR L(LIQUID,AL,C;0),, +40861.02-33.21138*T;,, N 95GRO ! $ $PAR G(FCC_A1,AL:C),, +GHSERAL+GHSERCC+80*T;,, N COST ! $PAR L(FCC_A1,AL:C,VA;0),, +80*T;,, N COST ! PAR G(FCC_A1,AL:C),, +GHSERAL+GHSERCC+81000;,, N 08CON ! PAR L(FCC_A1,AL:C,VA;0),, -80000+8*T;,, N 08CON ! $ PAR G(AL4C3_D71,AL:C),, -286001.52+1030.27302*T -161.709142*T*LN(T)-0.01152276*T**2+2450000*T**(-1) +7E-07*T**3;,, N 95GRO ! $ $ METASTABLE $ $PAR G(BCC_A2,AL:C),, +GHSERAL+3*GHSERCC+600000;,, N 06HAL ! $PAR L(BCC_A2,AL:C,VA;0),, +ZERO;,, N 06HAL ! PAR G(BCC_A2,AL:C),, +GHSERAL+3*GHSERCC +100000+80*T;,, N 08CON ! PAR L(BCC_A2,AL:C,VA;0),, +130000+14*T;,, N 08CON ! $ $ AS A MATTER OF COINCIDENCE THE GIBBS ENERGY OF HCP IS SIMILAR TO THAT OF FCC $ WITHOUT USING ANYPARS. $ PAR G(HCP_A3,AL:C),, +ZERO;,, N ! PAR L(HCP_A3,AL:C,VA;0),, +ZERO;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ AU-C $ SIMPLY ASSESSED WITH EUTECTIC INVARIANT REACTION $ TEMPERATURE UNDER CONSIDERATION PAR L(LIQUID,AU,C;0),, -36000;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ B-C $'ROGL2014_B-C-HF' $ PARAMETER G(LIQUID,B,C;0) 298.15 -67045.16+3.06969*T; 6000 N ! PARAMETER G(LIQUID,B,C;1) 298.15 -36682.57+1.04551*T; 6000 N ! $ PARAMETER G(B4C,B11C:BB;0) 298.15 -170978.12+22.909095*T+13*GHSERBB+GHSERCC; 6000.0 N ! PARAMETER G(B4C,B12:BB;0) 298.15 +10000+22.909095*T+14*GHSERBB; 6000.0 N ! PARAMETER G(B4C,B11C:CBB;0) 298.15 -304040.52+22.909095*T+13*GHSERBB+2*GHSERCC; 6000.0 N ! PARAMETER G(B4C,B12:CBB;0) 298.15 -169978.12+22.909095*T+14*GHSERBB+GHSERCC; 6000.0 N ! PARAMETER G(B4C,B11C:CBC;0) 298.15 -347121.82+22.909095*T+12*GHSERBB+3*GHSERCC; 6000.0 N ! PARAMETER G(B4C,B12:CBC;0) 298.15 -294040.52+22.909095*T+13*GHSERBB+2*GHSERCC; 6000.0 N ! PARAMETER G(B4C,B12:BB,CBC;0) 298.15 0.0; 6000.0 N ! PARAMETER G(B4C,B12:BB,CBB;0) 298.15 0.0; 6000.0 N ! PARAMETER G(B4C,B12:CBB,CBC;0) 298.15 0.0; 6000.0 N ! PARAMETER G(B4C,B11C:BB,CBC;0) 298.15 0.0; 6000.0 N ! PARAMETER G(B4C,B11C:BB,CBB;0) 298.15 0.0; 6000.0 N ! PARAMETER G(B4C,B11C:CBB,CBC;0) 298.15 0.0; 6000.0 N ! $ PAR G(GRAPHITE,B,C;0) 298.15 +34385.95+8.6792*T; 6000 N ! $ PAR G(BETA_RHOMBO_B,B:B;0) 298.15 +105*GHSERBB; 6000 N ! PAR G(BETA_RHOMBO_B,B:C;0) 298.15 +1000000+93*GHSERBB+12*GHSERCC; 6000 N ! PAR G(BETA_RHOMBO_B,B:B,C;0) 298.15 -2769690.3; 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ BE-C $'LIU2021_JPED_BE-C-SI PHASE DIAGRAM' $ PAR G(LIQUID,BE,C;0),, -213795.20;,, N ! PAR G(LIQUID,BE,C;1),, 150334.924-48.548*T;,, N ! $ PAR G(BE2C,BE:C;0),, -101981.55+98.66*T-18.529*T*LN(T)-0.0417*T**2 +5.112E-6*T**3-3.078E-10*T**4;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ Ce-C $ "FROM KXu" PARAMETER L(LIQUID,C,CE;0) 2.98150E+02 -268285.3+22.2*T; 6000.00 N ! PARAMETER L(LIQUID,C,CE;1) 2.98150E+02 -139372.9; 6000.00 N ! PARAMETER L(LIQUID,C,CE;2) 2.98150E+02 -24515.3; 6000.00 N ! $ PARAMETER L(FCC_A1,CE:C;0) 2.98150E+02 -33956.0 +GHSERCE#+GHSERCC#; 6000.00 N ! $ PARAMETER L(BCC_A2,CE:C;0) 2.98150E+02 -64654.8 +GBCCCE#+3*GHSERCC#; 6000.00 N ! $ PARAMETER G(CE2C3,CE:C;0) 2.98150E+02 -35851.3+1.75*T +0.4*GHSERCE#+0.6*GHSERCC; 6000.00 N ! $ PARAMETER G(CEC2H,CE:C;0) 2.98150E+02 -14973.2-9.39*T+0.333333*GHSERCE# +0.666667*GHSERCC#; 6000.00 N ! $ PARAMETER G(CEC2L,CE:C;0) 2.98150E+02 -32398.3+3.29*T +0.333333*GHSERCE#+0.666667*GHSERCC#; 6000.00 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ CO-C $ $'B. KAPLAN, CO–CR–C, CALPHAD,46(2014)226-236.' $ GUILLERMET 'THERMODYNAMIC ANALYSIS OF THE CO-C SYSTEM' $ PAR G(LIQUID,C,CO;0),, -107940.6+24.956*T;,, N ! PAR G(LIQUID,C,CO;1),, -9805.5;,, N ! $ PAR G(BCC_A2,CO:C;0),, +GHSERCO+3*GHSERCC+248204-31.271*T;,, N ! $ PAR G(FCC,CO:C;0),, +GHSERCO+GHSERCC+50463.8-6.849*T;,, N ! PAR L(FCC,CO,C:VA;0),, +220000;,, N ! $ PAR G(HCP_A3,CO:C;0),, +GHSERCO+.5*GHSERCC+22916.5-2.855*T;,,N ! $ PAR G(M23C6,CO:CO:C;0),, +GM23C6CO;,, N ! $ PAR G(M3C2,CO:C;0),, +GM3C2CO;,, N ! $ PAR G(M7C3,CO:C;0),, +GM7C3CO;,, N ! $ ----------------------------------------------------------------------------- $$$$$$ CR-C $'LIU W, ET AL. FE–CR–NI–C . CALPHAD, 2020, 69: 101763.' $ PAR G(LIQUID,C,CR;0),, -69245-35*T;,, N ! PAR G(LIQUID,C,CR;1),, +83242;,, N ! PAR G(LIQUID,C,CR;2),, +88000;,, N ! $ PAR G(FCC_A1,CR:C;0),, +GHSERCR+GHSERCC +1200-1.94*T;,, N ! PAR G(FCC_A1,CR:C,VA;0),, -11977+6.8194*T;,, N ! $ PAR G(BCC_A2,CR:C;0),, +GHSERCR+3*GHSERCC+416000;,, N 87AND2 ! PAR G(BCC_A2,CR:C,VA;0),, -190*T;,, N 87AND2 ! PAR BM(BCC_A2,CR:C;0),, -0.008;,, N 90KAJ ! PAR TC(BCC_A2,CR:C;0),, -311.50;,, N 90KAJ ! $ PAR G(HCP_A3,CR:C;0),, +GHSERCR+0.5*GHSERCC -18504+9.4173*T-2.4997*T*LN(T)+0.001386*T**2;,, N 92LEE ! PAR G(HCP_A3,CR:C,VA;0),, +4165;,, N 88GUS5 ! $ PAR G(CEMENTITE_D011,CR:C;0),, +3*GHSERCR+GHSERCC -48000-9.2888*T;,, N ! $ PAR G(CR3C2_D510,CR:C;0),, -100823.8+530.66989*T -89.6694*T*LN(T)-0.0301188*T**2;,, N 92LEE ! $ PAR G(M7C3_D101,CR:C;0),, -201690+1103.128*T -190.177*T*LN(T)-0.0578207*T**2;,, N 92LEE ! $ FUNCTION GCRM23C6 298.15 -521983+3622.24*T-620.965*T*LN(T) -0.126431*T**2; 6000 N ! PAR G(M23C6_D84,CR:CR:C;0),, +GCRM23C6;,, N 87AND2 ! $ PAR G(M23C6_S,CR:C;0),, +GCRM23C6;,, N 87AND2 ! $ PAR G(KSI_CARBIDE,CR:C;0),, +3*GHSERCR+GHSERCC +114060-47.2519*T;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ CU-C $ $ OPTIMIZED RESULT BY LEILEI CHEN 2018 PAR L(LIQUID,CU,C;0),, +109638-32.615*T;,, N ! PAR G(FCC_A1,CU:C;0),, +GHSERCU+GHSERCC+106990;,, N ! PAR G(BCC_A2,CU:C;0),, +GHSERCU+GHSERCC+127000;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ Dy-C $"from KXu" PARAMETER L(LIQUID,C,DY;0) 2.98150E+02 -268000+22.2*T; 6000.00 N ! PARAMETER L(LIQUID,C,DY;1) 2.98150E+02 -140000; 6000.00 N ! PARAMETER L(LIQUID,C,DY;2) 2.98150E+02 -24500; 6000.00 N ! $ PARAMETER G(DY2C3,DY:C;0) 2.98150E+02 -35800+1.75*T +0.4*GHSERDY#+0.6*GHSERCC; 6000.00 N ! $ PARAMETER G(DYC2H,DY:C;0) 2.98150E+02 -45000-27*T+GHSERDY# +2*GHSERCC#; 6000.00 N ! $ PARAMETER G(DYC2R,DY:C;0) 2.98150E+02 -93000+3.6*T +GHSERDY#+2*GHSERCC#; 6000.00 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ FE-C $'CHEN L, FE–CU–C SYSTEM. CALPHAD 64, 225-235 (2019).' $ PAR L(LIQUID,C,FE;0),, -111887+22.23*T;,, N ! PAR L(LIQUID,C,FE;1),, +27358.85-1.82*T;,, N ! PAR L(LIQUID,C,FE;2),, +48112.64-18.02*T;,, N ! $ PAR G(FCC_A1,FE:C;0),, +GFCCFE#+GHSERCC#+77207-15.877*T;,, N ! PAR G(FCC_A1,FE:C,VA;0),, -34671;,, N ! PAR TC(FCC_A1,FE:C;0),, -201;,, N ! PAR BMAGN(FCC_A1,FE:C;0),, -2.1;,, N ! $ PAR G(CEMENTITE_D011,FE:C;0),, -8983+658.38*T-113.578*T*LN(T) -3.059E-3*T**2+6.105E5*T**(-1);,, N ! PAR TC(CEMENTITE_D011,FE:C;0),, +485;,, N ! PAR BMAGN(CEMENTITE_D011,FE:C;0),, +1.51;,, N ! $ PAR G(BCC_A2,FE:C;0),, +GHSERFE#+3*GHSERCC#+322050+75.667*T;,, N ! PAR G(BCC_A2,FE:C,VA;0),, -190*T;,, N ! PAR TC(BCC_A2,FE:C;0),, +1043;,, N ! PAR BMAGN(BCC_A2,FE:C;0),, +2.22;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ HF-C $ $ PAN2016-C-TA-HF PAR G(LIQUID,C,HF;0) 298.15 -395564+42.9738*T; 6000 N ! PAR G(LIQUID,C,HF;1) 298.15 -67417.5; 6000 N ! PAR G(LIQUID,C,HF;2) 298.15 +225427-44.5905*T; 6000 N ! PAR G(LIQUID,C,HF;3) 298.15 +231368-29.9471*T; 6000 N ! $ PAR G(FCC_A1,HF:C;0) 298.15 -226447+272.916*T-45.61482*T*LN(T) -0.00299726*T**2+501495*T**(-1)-958263000*T**(-3); 6000 N ! PAR G(FCC_A1,HF:C,VA;0) 298.15 -102413+27.9760*T; 6000 N ! PAR G(FCC_A1,HF:C,VA;1) 298.15 -151822+38.2048*T; 6000 N ! $ PAR G(BCC_A2,HF:C;0) 298.15 -75417.6+584.036*T -90.8379*T*LN(T)-0.003853240*T**2+2223284*T**(-1); 6000 N ! PAR G(BCC_A2,HF:C,VA;0) 298.15 -435839; 6000 N ! $ PAR G(HCP_A3,HF:C;0) 298.15 -51407.9+192.576*T-34.0640*T*LN(T) -0.003139792*T**2+176580*T**(-1); 6000 N ! PAR G(HCP_A3,HF:C,VA;0) 298.15 -113389.2698-16.91735*T; 6000 N ! PAR G(HCP_A3,HF:C,VA;1) 298.15 -124597.4333; 6000 N ! PAR G(HCP_A3,HF:C,VA;2) 298.15 -65952.2084; 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ GE-C $'HU2010_JMMSB_C-GE AND C-MG PHASE DIAGRAMS' $ NO GAS PHASE INCLUDED $ added parameter for diamond phase PAR L(LIQUID,C,GE;0) 298.15 +265617.18-68.12925*T;,, 6000 N ! $ PAR L(DIAMOND_A4,C,GE;0) 298.15 +200000;,, 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ La-C $ "FROM KXu" $ PARAMETER L(LIQUID,C,LA;0) 2.98150E+02 -259436.3+30*T; 6000.00 N ! PARAMETER L(LIQUID,C,LA;1) 2.98150E+02 -159860.0; 6000.00 N ! PARAMETER L(LIQUID,C,LA;2) 2.98150E+02 -44046.6; 6000.00 N ! $ PARAMETER G(DHCP,LA:C;0) 2.98150E+02 0; 6000.00 N ! $ PARAMETER L(FCC_A1,LA:C;0) 2.98150E+02 -17285.4+GFCCLA# +GHSERCC#; 6000.00 N ! $ PARAMETER L(BCC_A2,LA:C;0) 2.98150E+02 -16364.8+GBCCLA# +3*GHSERCC#; 6000.00 N ! $ PARAMETER G(LAC2H,LA:C;0) 2.98150E+02 +0.333333*GHSERLA# +0.666667*GHSERCC#-5747.6-11.8*T; 6000.00 N ! PARAMETER G(LAC2H,LA:VA;0) 2.98150E+02 20000+0.333333*GHSERLA; 6000.00 N ! PARAMETER G(LAC2H,LA:C,VA;0) 2.98150E+02 -31517.6+14.1*T; 6000.00 N ! $ PARAMETER G(LAC2L,LA:C;0) 2.98150E+02 +0.333333*GHSERLA# +0.666667*GHSERCC#-28843.2+5.0*T; 6000.00 N ! $ PARAMETER G(LA2C3,LA:C;0) 2.98150E+02 -37840.1+120.6*T-20.47*T*LN(T) -0.00414*T**2+97303.5*T**(-1); 6000.00 N ! PARAMETER G(LA2C3,LA:VA;0) 2.98150E+02 20000+0.4*GHSERLA; 6000.00 N ! PARAMETER G(LA2C3,LA:C,VA;0) 2.98150E+02 -22000+12.5*T; 6000.00 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ LI-C $‘LIANG2017_JAC_LI-SI-C' $ PAR G(LIQUID,LI2C2;0),, -75915.567+700.3513*T-114.84553*T*LN(T);,, N ! PAR L(LIQUID,LI,LI2C2;0),, 40300.5+6.5*T;,, N ! $ PAR G(ALPHA-LI2C2,LI:C;0),, -27300+160.6829*T-25.444*T*LN(T)-1.2897E-3*T**2 +3.9886E-09*T**3+370027.3*T**(-1)-5.80833E-13*T**4;,, N ! $ PAR G(BETA-LI2C2,LI:C;0),, -25212.5+157.8036*T-25.444*T*LN(T)-1.2897E-3*T**2 +3.9886E-09*T**3+370027.3*T**(-1)-5.80833E-13*T**4;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ MG-C $'HU2010_JMMSB_C-GE AND C-MG PHASE DIAGRAMS' $ NO GAS PHASE INCLUDED PAR L(LIQUID,C,MG;0),, -113771.49;,, N ! $ PAR G(MG2C3,MG:C;0),, 2*GHSERMG+3*GHSERCC#+3492.85-13.0563*T;,, N ! $ PAR G(MGC2,MG:C;0),, GHSERMG+2*GHSERCC#+1738.23-6.51873*T;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ MN-C $ $'DJUROVIC D,MN-C,CALPHAD, 2010, 34(3):279-285.' PAR L(LIQUID,C,MN;0),, -179183+43.8449*T;,, N ! PAR L(LIQUID,C,MN;1),, +6313;,, N ! PAR L(LIQUID,C,MN;2),, +23281;,, N ! $ PAR G(CBCC_A12,MN:C;0),, +GHSERMN+GHSERCC+27.46525*T;,, N ! PAR L(CBCC_A12,MN:VA,C;0),, -52204;,, N ! $ PAR G(CUB_A13,MN:C;0),, +GHSERMN+GHSERCC+2607;,, N ! PAR L(CUB_A13,MN:VA,C;0),, -10175;,, N ! $ PAR G(FCC_A1,MN:C;0),, +GHSERMN+GHSERCC+13.659*T;,, N ! PAR L(FCC_A1,MN:VA,C;0),, -41333;,, N ! $ PAR G(BCC_A2,MN:C;0),, +GHSERMN+3*GHSERCC+10000+30*T;,, N ! $ PAR G(HCP_A3,MN:C;0),, +GHSERMN+0.5*GHSERCC-9000-1.0651*T;,, N ! PAR L(HCP_A3,MN:VA,C;0),, -5006;,, N ! $ PAR G(M23C6,MN:MN:C;0),, +23*GHSERMN+6*GHSERCC-310473+53.86*T;,, N ! PAR G(MN3C,MN:C;0),, +3*GHSERMN+GHSERCC-39644+3.04*T;,, N ! PAR G(MN5C2,MN:C;0),, +5*GHSERMN+2*GHSERCC-73954+6.36*T;,, N ! PAR G(MN7C3,MN:C;0),, +7*GHSERMN+3*GHSERCC-106695+9.36*T;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ MO-C $ $ PAR L(LIQUID,C,MO;0) 298.15 -217800+38.41*T; 6000 N ! PAR L(LIQUID,C,MO;1) 298.15 +30000; 6000 N ! PAR L(LIQUID,C,MO;2) 298.15 +47000; 6000 N ! $ PAR G(FCC_A1,MO:C;0) 298.15 +GHSERMO+GHSERCC-7500-8.3*T -750000*T**(-1); 6000 N ! PAR L(FCC_A1,MO:C,VA;0) 298.15 -41300; 6000 N ! $ PAR G(BCC_A2,MO:C;0) 298.15 +GHSERMO+3*GHSERCC +331000-75*T; 6000 N ! $ PAR G(HCP_A3,MO:C;0) 298.15 +GHSERMO+0.5*GHSERCC-24150 -3.625*T-163000*T**(-1); 6000 N ! PAR L(HCP_A3,MO:C,VA;0) 298.15 +4150; 6000 N ! $ PAR G(MC_ETA,MO:C;0) 298.15 +GHSERMO+GHSERCC-9100-5.35*T -750000*T**(-1); 6000 N ! PAR L(MC_ETA,MO:C,VA;0) 298.15 -59500; 6000 N ! $ PAR G(MC_SHP,MO:C;0) 298.15 +GHSERMO+GHSERCC -32983+2.5*T; 6000 N ! $----------------------------------------------------------------------------- $ $ NB-C $ $ FROM B.-J. LEE 2001 (INCLUDED IN TCFE 1999) $ $ CHECKED AGAINST PAPER. CHECKED AT 6000K. $ $ THE CONGRUENT MELTING TEMPERATURE OF NBC IS 2 K LOWER THAN IN THE PAPER. $ $ BCC_A2 HAS AN INVERSE STABILITY RANGE AROUND X(C)=0.45 WITH A $ MINIMUM AT 4200K. $ PAR L(LIQUID,C,NB;0),, -292831+31.2967*T;,, N ! PAR L(LIQUID,C,NB;1),, +6091;,, N ! PAR L(LIQUID,C,NB;2),, +41021;,, N ! $ PAR G(FCC_A1,NB:C),, -156735+284.1689*T -46.34274*T*LN(T)-0.0029287*T**2+563374*T**(-1) -1.02788144E+09*T**(-3);,, N ! PAR L(FCC_A1,NB:C,VA;0),, -94050+22.6993*T;,, N ! PAR L(FCC_A1,NB:C,VA;2),, -65000+17.4391*T;,, N ! $ PAR G(BCC_A2,NB:C),, +GHSERNB+3*GHSERCC +446349;,, N ! PAR L(BCC_A2,NB:C,VA;0),, -510296-70*T;,, N ! $ PAR G(HCP_A3,NB:C),, -103175+206.3004*T -34.986618*T*LN(T)-0.002897*T**2+252376*T**(-1) -58298590*T**(-3);,, N ! PAR L(HCP_A3,NB:C,VA;0),, +4735;,, N ! $ $ METASTABLE $ PAR G(CEMENTITE_D011,NB:C),, +3*GHSERNB+GHSERCC-86000;,, N ! $----------------------------------------------------------------------------- $ $$$$$$ NI-C $'LEONOVICH B I.NI-CR-C,STEEL IN TRANSLATION, 2011, 41(5):371.' $ PAR L(LIQUID,C,NI;0),, -110160+34.6*T;,, N ! $ PAR G(BCC_A2,NI:C;0),, +GHSERNI+3*GHSERCC+322050+75.667*T;,, N ! PAR TC(BCC_A2,NI:C;0),, +575;,, N ! PAR BMAGN(BCC_A2,NI:C;0),, +0.85;,, N ! $ PAR G(FCC_A1,NI:C;0),, +GHSERNI+GHSERCC+45000+1.88*T;,, N ! PAR TC(FCC_A1,NI:C;0),, +633;,, N ! PAR BMAGN(FCC_A1,NI:C;0),, +0.52;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ PD-C $ DU2006,PD-SI-C,INTERMETALLICS 14 (2006) 560–569 $ PAR L(LIQUID,C,PD;0),, -205602.5+60.8397*T;,, N ! PAR L(LIQUID,C,PD;1),, -112063.6+18.0275*T;,, N ! PAR L(LIQUID,C,PD;3),, +17977.5-0.5039*T;,, N ! $ PAR L(FCC,C,PD:VA;0),, +12507.4+11.2484*T;,, N ! $ PAR G(GRAPHITE,PD;0),, +GHSERPD#+10000;,, N ! PAR L(GRAPHITE,C,PD;0),, +220000;,, N ! $ ----------------------------------------------------------------------------- $$$$$$ Pr-C $"from KXu" PARAMETER L(LIQUID,C,PR;0) 2.98150E+02 -206169.6-29.9*T; 6000.00 N ! PARAMETER L(LIQUID,C,PR;1) 2.98150E+02 -127621.8; 6000.00 N ! PARAMETER L(LIQUID,C,PR;2) 2.98150E+02 -26606.5; 6000.00 N ! $ PARAMETER L(DHCP,PR:C;0) 2.98150E+02 -36848.4 +GHSERPR#+GHSERCC#; 6000.00 N ! $ PARAMETER L(BCC_A2,PR:C;0) 2.98150E+02 +222175.2 +GBCCPR#+3*GHSERCC#; 6000.00 N ! PARAMETER L(BCC_A2,PR:C,VA;0) 2.98150E+02 -331672.8; 6000.00 N ! $ PARAMETER G(PR2C3,PR:C;0) 2.98150E+02 -29469.3-5.7*T+0.4*GHSERPR# +0.6*GHSERCC; 6000.00 N ! PARAMETER G(PR2C3,PR:VA;0) 2.98150E+02 20000+0.4*GHSERPR; 6000.00 N ! PARAMETER G(PR2C3,PR:C,VA;0) 2.98150E+02 -18844.6; 6000.00 N ! $ PARAMETER G(PRC2H,PR:C;0) 2.98150E+02 -2509.9-20.2*T+0.333333*GHSERPR# +0.666667*GHSERCC#; 6000.00 N ! PARAMETER G(PRC2H,PR:VA;0) 2.98150E+02 20000+0.333333*GHSERPR; 6000.00 N ! PARAMETER G(PRC2H,PR:C,VA;0) 2.98150E+02 -3776.0; 6000.00 N ! $ PARAMETER G(PRC2L,PR:C;0) 2.98150E+02 -28186.5-2.2*T +0.333333*GHSERPR#+0.666667*GHSERCC#; 6000.00 N ! $ ----------------------------------------------------------------------------- $$$$$$ PT-C $ SIMPLY ASSESSED WITH EUTECTIC INVARIANT REACTION $ TEMPERATURE UNDER CONSIDERATION PAR L(LIQUID,PT,C;0),, -16500;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ RE-C $ SIMPLY ASSESSED WITH EUTECTIC INVARIANT REACTION $ TEMPERATURE UNDER CONSIDERATION $ PAR L(LIQUID,RE,C;0),, -23600;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ RU-C $ SGTE PAR G(LIQUID,C,RU;0),, -44379.337;,, N ! PAR G(LIQUID,C,RU;1),, +11107.96;,, N ! $ PAR G(FCC_A1,RU:C;0),, +0.0;,, N ! $ PAR G(HCP,C;0) 298.15 -16359.442+175.61*T -24.31*T*LN(T)-4.723E-04*T**2 +2698000.1*T**(-1)+1.11E+10*T**(-3) -2.61E+08*T**(-2); 6000 Y -31628.002+223.45829*T-29.834858*T*LN(T); 6001 N REF0 ! PAR G(HCP,RU;0) 298.15 -7561.862+127.866*T -22.9143*T*LN(T) -.0040625701*T**2+1.7641E-07*T**3+56377*T**(-1); 1500 Y -59448.198+489.51616*T-72.324101*T*LN(T)+.0187262*T**2 -1.95243E-06*T**3 +11063900*T**(-1); 2607 Y -38588902+168610.55*T-21329.7*T*LN(T)+5.2216399*T**2-2.4025E-04*T**3 +1.3083E+10*T**(-1); 2740 Y -55746.925+364.47429*T-51.8816*T*LN(T); 4500 N REF0 ! PAR G(HCP,C,RU;0),, +70000.002-7.0000002*T;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ RH-C $ SGTE PAR G(LIQUID,C,RH;0),, -67516.4+4.5764701*T;,, N ! PAR G(LIQUID,C,RH;1),, +120.473-3.32211*T;,, N ! $ PAR G(FCC_A1,RH:C;0),,+35107.401+306.13399*T -48.317799*T*LN(T)-.00389649*T**2 -1.68032E-07*T**3+2618449.9*T**(-1) -2.643E+08*T**(-2)+1.2E+10*T**(-3); 1200 Y +14588.323+479.88463*T-72.676699*T*LN(T)+.0091911499*T**2 -1.51277E-06*T**3+5910760*T**(-1)-2.643E+08*T**(-2)+1.2E+10*T**(-3); 2237 Y -6194515+30325.747*T-3898.51*T*LN(T)+1.04874*T**2-5.39788E-05*T**3 +1.88292E+09*T**(-1)-2.643E+08*T**(-2)+1.2E+10*T**(-3); 2450 Y -1905.9694+519.00298*T-74.8846*T*LN(T)-4.723E-04*T**2+2562600*T**(-1) -2.643E+08*T**(-2)+1.2E+10*T**(-3); 2500 N REF0 ! $ PAR G(HCP,RH;0) 298.15 -4848.83+131.521*T -24.0178*T*LN(T)-.00342419*T**2-1.68032E-07*T**3+55846.001*T**(-1); 1200 Y -25367.914+305.27164*T-48.376701*T*LN(T)+.0096634501*T**2 -1.51277E-06*T**3+3348160*T**(-1); 2237 Y -6234485+30151.145*T-3874.21*T*LN(T)+1.04921*T**2-5.39788E-05*T**3 +1.88036E+09*T**(-1); 2450 Y -41860.124+344.38911*T-50.584602*T*LN(T); 2500 N REF0 ! PAR G(HCP,C,RH;0),, +100000;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ SI-C $ $ $ SI-C $ 96GRO 'J. GROEBNER, H.L. LUKAS, F. ALDINGER, CALPHAD, 20, 247-54(1996); SI-C' PAR L(LIQUID,SI,C;0),, +25645-6.38115*T;,, N ! $ PAR L(DIAMOND_A4,SI,C;0),, +93386.8;,, N ! $ PAR G(SIC,SI:C;0),, -88584+271.1462*T -41.2795*T*LN(T)-0.00436266*T**2+0.8E+06*T**(-1) +2E-07*T**3;,, N ! $ ------------------------------------------------------------------------------ $ $$$$$$ SN-C $ THIS WORK $ PAR L(LIQUID,C,SN;0) 298.15 0; 3000.0 N ! PAR L(DIAMOND_A4,C,SN;0) 298.15 +1E5; 3000.0 N ! $ PAR L(HCP_A3,SN,V:C;0) 298.15 -8E4; 3000.0 N ! $ PAR L(HCP_A3,SN,V:C;1) 298.15 +4E4; 3000.0 N ! $ PAR G(SN3V2,SN:C;0) 298.15 $ 3*GHSERSN+2*GHSERCC; 3000.0 N ! $ PAR G(SN3V2,SN:V,C;0) 298.15 -2E5; 3000.0 N ! $ PAR L(HCP_A3,FE,SN:C;0) 298.15 1E5; 3000.0 N ! $ PAR L(HCP_A3,FE,SN:C;1) 298.15 1E5; 3000.0 N ! $ PAR L(HCP_A3,FE,SN,V:VA;0) 298.15 1E5; 3000.0 N ! $ PAR L(HCP_A3,FE,SN,V:VA;1) 298.15 1E5; 3000.0 N ! $ PAR L(HCP_A3,FE,SN,V:VA;2) 298.15 1E5; 3000.0 N ! PAR L(HCP_A3,FE,SN:VA;0) 298.15 1E5; 3000.0 N ! $ ----------------------------------------------------------------------------- $$$$$$ TA-C $ PAN2016-C-TA-HF $ PAR G(LIQUID,C,TA;0) 298.15 -173413.25-7.1858292*T; 6000 N ! PAR G(LIQUID,C,TA;1) 298.15 23643.159; 6000 N ! $ PAR G(FCC_A1,TA:C;0) 298.15 -163843.55+266.90346*T -44.957558*T*LN(T)-.0036198014*T**2+594677.55*T**(-1) -2.3106742E+09*T**(-3)+1.1923702E+13*T**(-5)-3.5155676E+16*T**(-7); 6000 N ! PAR G(FCC_A1,TA:C,VA;0) 298.15 -60408.461+4.172556*T; 6000 N ! $ PAR G(BCC_A2,TA:C;0) 298.15 +601379.32-61.123315*T +GHSERTA#+3*GHSERCC#; 6000 N ! PAR G(BCC_A2,TA:C,VA;0) 298.15 -749073.01; 6000 N ! $ PAR G(HCP_A3,TA:C;0) 298.15 -107522.86+142.26601*T -26.879883*T*LN(T)-.0057393884*T**2; 6000 N ! PAR G(HCP_A3,TA:C,VA;0) 298.15 -6917.5538; 6000 N ! $ PAR G(TA4C3,TA:C;0) 298.15 +0.614*GHSERTA+0.386*GHSERCC -6.71440556E+04+0.4*T; 6000 N ! $ ----------------------------------------------------------------------------- $$$$$$ TI-C $ 'GORBACHEV,TI-FE-C-N,THE PHYSICS OF METALS AND METALLOGRAPHY, $ 108 (2009) 484-495.' PAR L(LIQUID,TI,C;0),, -125409-44.4*T;,, N ! $ PAR G(BCC_A2,TI:C;0),, +2*GHSERCC+431739+293.73187*T -48.0195*T*LN(T)-2.72E-3*T**2+819000*T**(-1) -2.03E9*T**(-3);,, N ! PAR L(BCC_A2,TI:VA,C;0),, -881180+45.5*T;,, N ! $ PAR G(FCC_A1,TI:C;0),, -168261+293.73187*T-48.0195*T*LN(T) -2.72E-3*T**2+819000*T**(-1)-2.03E9*T**(-3);,, N ! PAR L(FCC_A1,TI:C,VA;0),, -52702-4.6*T;,, N ! PAR L(FCC_A1,TI:C,VA;1),, -121367+31.5*T;,, N ! $ PAR G(HCP_A3,TI:C;0),, -67577-8.6*T+GHSERTI+0.5*GHSERCC;,, N ! $ PAR G(TI2N_C4,TI:C;0),, -17349+GHSERTI-168261+293.73187*T -48.0195*T*LN(T)-2.72E-3*T**2+819000*T**(-1) -2.03E9*T**(-3);,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ V-C $ $ FROM W. HUANG 1991 (INCLUDED IN LB VOL. 2) $ CHECKED AGAINST LB AND PAPER. CHECKED AT 6000 K. $ WRONG SIGN FOR L(FCC_A1,V:C,VA;1) IN THE PAPER. $ THERE IS A VERY SMALL (STABLE) LIQUID MISCIBILITY GAP CLOSE TO C AT 4716 $ TO 4748 K. $ PAR L(LIQUID,C,V;0),, -284196+38.952*T;,, N 91HUA1 ! PAR L(LIQUID,C,V;1),, +96335-17.775*T;,, N 91HUA1 ! PAR L(LIQUID,C,V;2),, +102050;,, N 91HUA1 ! $ PAR G(BCC_A2,V:C),, +GHSERVV+3*GHSERCC+108449;,, N 91HUA1 ! PAR L(BCC_A2,V:C,VA;0),, -297868;,, N 91HUA1 ! $ PAR G(FCC_A1,V:C),, -117302+262.57*T -41.756*T*LN(T)-0.00557101*T**2+590546*T**(-1);,, N 91HUA1 ! PAR L(FCC_A1,V:C,VA;0),, -74811+10.201*T;,, N 91HUA1 ! PAR L(FCC_A1,V:C,VA;1),, -30394;,, N 91HUA1 ! $ PAR G(HCP_A3,V:C),, -85473+182.441*T -30.551*T*LN(T)-0.00538998*T**2+229029*T**(-1);,, N 91HUA1 ! PAR L(HCP_A3,V:C,VA;0),, +12430-3.986*T;,, N 91HUA1 ! $ PAR G(V3C2,V:C),, +3*GHSERVV+2*GHSERCC -260341+16.897*T;,, N 91HUA1 ! $ ----------------------------------------------------------------------------- $ $$$$$$ W-C $ $ PAR L(LIQUID,C,W;0) 298.15 -84261; 6000 N ! PAR L(LIQUID,C,W;1) 298.15 +45205; 6000 N ! PAR L(LIQUID,C,W;2) 298.15 +43217; 6000 N ! $ PAR G(FCC_A1,W:C;0) 298.15 -14538+272.78*T-45.4249153*T*LN(T) -.00300357579*T**2+612893.58*T**(-1) -1.4027703E+09*T**(-3); 6000 N ! PAR L(FCC_A1,W:C,VA;0) 298.15 -47079; 6000 N ! PAR L(FCC_A1,W:C,VA;1) 298.15 -3385; 6000 N ! $ PAR G(BCC_A2,W:C;0) 298.15 +GHSERWW+3*GHSERCC +375100-35.87*T; 6000 N ! $ PAR G(HCP_A3,W:C;0) 298.15 -26482+227.92*T-38.4900552*T*LN(T) -.00158398286*T**2+501839.27*T**(-1) -1.56907923E+09*T**(-3); 6000 N ! PAR L(HCP_A3,W:C,VA;0) 298.15 +29395-8.8505*T; 6000 N ! $ PAR G(MC_ETA,W:C;0) 298.15 -13874+272.78*T-45.4249153*T*LN(T) -.00300357579*T**2+612893.58*T**(-1) -1.4027703E+09*T**(-3); 6000 N ! PAR L(MC_ETA,W:C,VA;0) 298.15 -47079; 6000 N ! PAR L(MC_ETA,W:C,VA;1) 298.15 -3885; 6000 N ! $ PAR G(MC_SHP,W:C;0) 298.15 -57142+281.088*T-45.4249153*T*LN(T) -.00300357579*T**2+612893.58*T**(-1) -1.4027703E+09*T**(-3); 6000 N ! $ ------------------------------------------------------------------------------ $ C-Y $ GROBNER J, LUKAS H L, ALDINGER F. THERMODYNAMIC CALCULATIONS IN THE Y-AL-C $ SYSTEM. JOURNAL OF ALLOYS AND COMPOUNDS, 1995, 220(1-2): 8-14. $ XUKAI Y-SI-C PAR G(LIQUID,C,Y;0) 298.15 -278800-5*T; 6000 N ! PAR G(LIQUID,C,Y;1) 298.15 -125200-1.5*T; 6000 N ! PAR G(LIQUID,C,Y;2) 298.15 36200-23*T; 6000 N ! $ PAR G(BCC_A2,Y:C;0) 298.15 229540-32*T+3*GHSERCC#+GBCCYY#; 6000 N ! PAR G(BCC_A2,Y:C,VA;0) 298.15 -400000-24.5*T; 6000 N ! PAR G(BCC_A2,Y:C,VA;1) 298.15 -10000+5.47*T; 6000 N ! $ PAR G(HCP_A3,Y:C;0) 298.15 -36000-3*T+0.5*GHSERCC#+GHSERYY#; 6000 N ! PAR G(HCP_A3,Y:C,VA;0) 298.15 48500-38*T; 6000 N ! $ PHASE C19Y15H % 2 19 15 ! CONSTITUENT C19Y15H :C,VA : Y : ! PAR G(C19Y15H,C:Y;0) 298.15 -1488000-101*T+15*GHSERYY# +19*GHSERCC#; 6000 N ! PAR G(C19Y15H,VA:Y;0) 298.15 250000+13*T+15*GHSERYY#; 6000 N ! PAR G(C19Y15H,C,VA:Y;0) 298.15 20000+100*T; 6000 N ! $ PHASE C19Y15R % 2 19 15 ! CONSTITUENT C19Y15R :C,VA : Y : ! PAR G(C19Y15R,C:Y;0) 298.15 -1551900-60.5*T+15*GHSERYY#+19*GHSERCC#; 6000 N ! PAR G(C19Y15R,VA:Y;0) 298.15 250000+13*T+15*GHSERYY#; 6000 N ! PAR G(C19Y15R,C,VA:Y;0) 298.15 20000+100*T; 6000 N ! $ PHASE C2Y % 2 2 1 ! CONSTITUENT C2Y : C : Y : ! PAR G(C2Y,C:Y;0) 298.15 -102500-10*T+GHSERYY#+2*GHSERCC#; 6000 N ! $ PHASE C3Y2H % 3 2 1 2 ! CONSTITUENT C3Y2H : C : C,VA : Y,VA : ! PAR G(C3Y2H,C:C:Y;0) 298.15 -170000-22.2*T+2*GHSERYY# +3*GHSERCC#; 6000 N ! PAR G(C3Y2H,C:C:VA;0) 298.15 60000+10*T+3*GHSERCC#; 6000 N ! PAR G(C3Y2H,C:VA:Y;0) 298.15 -149550+8*T+2*GHSERYY# +2*GHSERCC#; 6000 N ! PAR G(C3Y2H,C:VA:VA;0) 298.15 70000+2*GHSERCC#; 6000 N ! PAR G(C3Y2H,C:C,VA:Y;0) 298.15 -150000; 6000 N ! PAR G(C3Y2H,C:VA:Y,VA;0) 298.15 84000-64*T; 6000 N ! PAR G(C3Y2H,C:VA:Y,VA;1) 298.15 3000+76*T; 6000 N ! $ PHASE C3Y2R % 3 2 1 2 ! CONSTITUENT C3Y2R : C : C,VA : Y,VA : ! PAR G(C3Y2R,C:C:Y;0) 298.15 -174000-14*T+2*GHSERYY#+3*GHSERCC#; 6000 N ! PAR G(C3Y2R,C:VA:Y;0) 298.15 -142000-3*T+2*GHSERYY#+2*GHSERCC#; 6000 N ! PAR G(C3Y2R,C:C:VA;0) 298.15 60000+10*T+3*GHSERCC#; 6000 N ! PAR G(C3Y2R,C:VA:VA;0) 298.15 70000+2*GHSERCC#; 6000 N ! PAR G(C3Y2R,C:C,VA:Y;0) 298.15 -179300+24*T; 6000 N ! PAR G(C3Y2R,C:C,VA:Y;1) 298.15 -42990-7.8*T; 6000 N ! PAR G(C3Y2R,C:C:Y,VA;0) 298.15 20700-2*T; 6000 N ! PAR G(C3Y2R,C:C:Y,VA;1) 298.15 72000+5*T; 6000 N ! $ PAR G(GAMMA,Y:C;0) 298.15 -51800-24*T+GHSERYY#+GHSERCC#; 6000 N ! PAR G(GAMMA,Y:C2;0) 298.15 -35000-51.5*T+GHSERYY#+2*GHSERCC#; 6000 N ! PAR G(GAMMA,Y:VA;0) 298.15 8100+0.22*T+GHSERYY#; 6000 N ! PAR G(GAMMA,Y:C,VA;0) 298.15 -6500-19*T; 6000 N ! PAR G(GAMMA,Y:C,VA;1) 298.15 -43000+39*T; 6000 N ! PAR G(GAMMA,Y:C,C2;0) 298.15 -64000+52*T; 6000 N ! PAR G(GAMMA,Y:C2,VA;0) 298.15 -63000+1*T; 6000 N ! $ ----------------------------------------------------------------------------- $ $$$$$$ ZN-C $'M. HÄMÄLÄINEN, C-CO-ZN ,J. ALLOYS COMPD., 392 (2005) 220-224.' $ PAR L(LIQUID,C,ZN;0),, -1500;,, N ! PAR G(FCC_A1,ZN:C,VA;0),, +1000;,, N ! $ ----------------------------------------------------------------------------- $ $$$$$$ ZR-C $'YINPING ZENG, PENG ZHOU, YONG DU, $THERMODYNAMIC ASSESSMENT OF THE C–ZR–NB TERNARY SYSTEM, $CALPHAD,VOLUME 61,2018,PAGES 98-104,' $ PAR G(LIQUID,C,ZR;0) 298.15 -305420.6+16.01676*T; 6000 N REF0 ! PAR G(LIQUID,C,ZR;1) 298.15 -39269.66; 6000 N REF0 ! PAR G(LIQUID,C,ZR;2) 298.15 +50000; 6000 N REF0 ! $ PAR G(HCP_A3,ZR:C;0) 298.15 -115822.7+212.2971*T -36.10565*T*LN(T)-.001375489*T**2-1.361587E-07*T**3+217131*T**(-1) -1.9505689E+08*T**(-3); 6000 N REF0 ! PAR G(HCP_A3,ZR:C,VA;0) 298.15 +3206.881; 6000 N REF0 ! $ PAR G(FCC_A1,ZR:C;0) 298.15 -224784.9+297.0288*T -48.14055*T*LN(T)-.001372273*T**2-1.015994E-07*T**3+517213*T**(-1) -8.30054316E+08*T**(-3); 6000 N REF0 ! PAR G(FCC_A1,ZR:C,VA;0) 298.15 -41870.2-35.70271*T +6.042424*T*LN(T)-.001326472*T**2; 6000 N REF0 ! PAR G(FCC_A1,ZR:C,VA;1) 298.15 -81870.2-35.70271*T +6.042424*T*LN(T)-.001326472*T**2; 6000 N REF0 ! $ PAR G(BCC_A2,ZR:C;0) 298.15 -142838.2+631.7121*T -96.28173*T*LN(T)-.001856037*T**2-9.2968513E-08*T**3+2261356*T**(-1) -7.933899E+09*T**(-3); 6000 N REF0 ! PAR G(BCC_A2,ZR:C,VA;0) 298.15 -223221.3; 6000 N REF0 ! $ -----------------------------------------------------------------------------