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Fe-C_Fei_Brosh_2014_09.TDB
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$ Database file written 2014- 6- 9
$ From database: User data 2014.06.09
ELEMENT /- ELECTRON_GAS 0.0000E+00 0.0000E+00 0.0000E+00!
ELEMENT VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00!
ELEMENT C GRAPHITE 1.2011E+01 1.0540E+03 5.7400E+00!
ELEMENT FE BCC_A2 5.5847E+01 4.4890E+03 2.7280E+01!
$------------------------------------------------------------------------------
$ definition of functions
FUNCTION GHSERCC 0.01 -1049.14084-.09009204*T-2.75E-05*T**3; 103 Y
-988.25091-7.39898691*T+1.76583*T*LN(T)-.01706952*T**2; 350 Y
-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 N 10Hal !
FUNCTION GA9C 298.15 +GHSERCC#; 6000 N 10Hal !
FUNCTION GA4C 0.01 +1366.36944+.0375684493*T-1.795E-08*T**4; 78 Y
+3386.8147-64.4266811*T+11.71699*T*LN(T)-.0304*T**2+3.3333E-06*T**3
-91196.5*T**(-1)+2797170*T**(-2)-38820740*T**(-3); 330 Y
-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 N 10Hal !
FUNCTION GLIQC 298.15 +117369-24.63*T+GHSERCC#; 6000 N 91Din !
FUNCTION GHSERFE 0.01 +4701.3908-9.929623*T-1.975E-06*T**4; 50 Y
+4871.6848-41.511332*T+8.75517*T*LN(T)-.13106*T**2+9.2615E-05*T**3;
170 Y
+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 10Hal !
FUNCTION GA2FE 298.15 +GHSERFE#; 6000 N 10Hal !
FUNCTION GA1FE 298.15 -1462.4+8.282*T-1.15*T*LN(T)+6.4E-04*T**2
+GHSERFE#; 1811 Y
-1713.815+.940009*T+GHSERFE#+4.9251E+30*T**(-9); 6000 N !
FUNCTION GA3FE 298.15 -3705.78+12.591*T-1.15*T*LN(T)+6.4E-04*T**2
+GHSERFE#; 1811 Y
-3957.195+5.249009*T+GHSERFE#+4.9251E+30*T**(-9); 6000 N 91Din !
FUNCTION GL1FE 298.15 +12040.17-6.55843*T+GHSERFE#-3.67516E-21*T**7;
1811 Y
-10838.83+291.302*T-46*T*LN(T); 6000 N 91Din !
FUNCTION GFECEM 0.01 +11369.9377-5.64125926*T-8.333E-06*T**4; 43 Y
+11622.6472-59.5377093*T+15.74232*T*LN(T)-.27565*T**2; 163 Y
-10195.8608+690.949888*T-118.47637*T*LN(T)-7E-04*T**2+590527*T**(-1);
6000 N 10Hal !
$ constants derived from 91Din for implementation calculation of 07Br EOS
FUNCTION HSEA1FE 298.15 +7973.03; 6000 N !
FUNCTION SSEA1FE 298.15 +35.902103; 6000 N !
FUNCTION CSEA1FE 298.15 +25.19585; 6000 N !
FUNCTION HSEA3FE 298.15 +5729.65; 6000 N !
FUNCTION SSEA3FE 298.15 +31.593103; 6000 N !
FUNCTION CSEA3FE 298.15 +25.19585; 6000 N !
FUNCTION HSEL1FE 298.15 +21189.6; 6000 N !
FUNCTION SSEL1FE 298.15 +43.421947; 6000 N !
FUNCTION CSEL1FE 298.15 +24.42759; 6000 N !
$ parameters for BCC_A2 Fe
FUNCTION FV0A2FE 298.15 +7.05E-06; 6000 N !
FUNCTION FV1A2FE 298.15 +1.7E+11; 6000 N !
FUNCTION FV2A2FE 298.15 +6.2; 6000 N !
FUNCTION FV3A2FE 298.15 +300; 6000 N !
FUNCTION FV4A2FE 298.15 +1.55; 6000 N !
FUNCTION FV5A2FE 298.15 +6; 6000 N !
FUNCTION FV6A2FE 298.15 +1; 6000 N !
FUNCTION FV7A2FE 298.15 +15; 6000 N !
FUNCTION FV8A2FE 298.15 +3; 6000 N !
$ implementation of EOS for BCC_A2 Fe
FUNCTION PA2FE 298.15 +FV1A2FE#**(-1)*P; 6000 N !
FUNCTION BVA2FE 298.15 +FV0A2FE#*FV1A2FE#; 6000 N !
FUNCTION IAA2FE 298.15 +FV2A2FE#-.333333333; 6000 N !
FUNCTION FCA2FE 298.15 +1+1.33333333*IAA2FE#*PA2FE#; 6000 N !
FUNCTION LFCA2FE 298.15 +1*LN(FCA2FE#); 6000 N !
FUNCTION IXCA2FE 298.15 +1-IAA2FE#**(-1)+IAA2FE#**(-1)*EXP(.25*LFCA2FE#);
6000 N !
FUNCTION G2A2FE 298.15 +1.5*FV2A2FE#**3-6*FV2A2FE#**2+8*FV2A2FE#
-3.55555555; 6000 N !
FUNCTION G1A2FE 298.15 -9*FV2A2FE#**3+27*FV2A2FE#**2-24*FV2A2FE#
+5.33333333; 6000 N !
FUNCTION GLA2FE 298.15 +9*FV2A2FE#**3-18*FV2A2FE#**2+9*FV2A2FE#
-1.33333333; 6000 N !
FUNCTION GM1A2FE 298.15 +3*FV2A2FE#**3-3*FV2A2FE#**2+FV2A2FE#-.111111111;
6000 N !
FUNCTION GPCA2FE 298.15 +G2A2FE#*IXCA2FE#**(-2)+G1A2FE#*IXCA2FE#**(-1)
-GLA2FE#*LN(IXCA2FE#)+GM1A2FE#*IXCA2FE#-G2A2FE#-G1A2FE#-GM1A2FE#; 6000
N !
FUNCTION PTA2FE 298.15 +FV1A2FE#**(-1)*P+FV5A2FE#*FV1A2FE#**(-1)*P; 6000
N !
FUNCTION IATA2FE 298.15 +3*FV6A2FE#-1; 6000 N !
FUNCTION FTA2FE 298.15 +1+.666666667*IATA2FE#*PTA2FE#; 6000 N !
FUNCTION LTFA2FE 298.15 +1*LN(FTA2FE#); 6000 N !
FUNCTION IXTA2FE 298.15 +1-IATA2FE#**(-1)+IATA2FE#**(-1)*EXP(.5*LTFA2FE#);
6000 N !
FUNCTION GPTA2FE 298.15 +4.5*FV6A2FE#*IXTA2FE#**(-2)-3*IXTA2FE#**(-2)
-9*FV6A2FE#*IXTA2FE#**(-1)+3*IXTA2FE#**(-1)+4.5*FV6A2FE#; 6000 N !
FUNCTION PT2A2FE 298.15 +FV1A2FE#**(-1)*P+FV7A2FE#*FV1A2FE#**(-1)*P; 6000 N !
FUNCTION IYA2FE 298.15 +1+2*FV8A2FE#*PT2A2FE#; 6000 N !
FUNCTION LYA2FE 298.15 +.5*LN(IYA2FE#); 6000 N !
FUNCTION YA2FE 298.15 +1*EXP(LYA2FE#); 6000 N !
FUNCTION IBA2FE 298.15 +FV8A2FE#**(-1)-FV8A2FE#**(-1)*EXP(LYA2FE#); 6000 N !
FUNCTION GBPA2FE 298.15 +1+FV8A2FE#-FV8A2FE#*EXP(IBA2FE#)
-YA2FE#*EXP(IBA2FE#); 6000 N !
FUNCTION GBMA2FE 298.15 +1+FV8A2FE#; 6000 N !
FUNCTION GBRA2FE 298.15 +GBMA2FE#**(-1)*GBPA2FE#; 6000 N !
FUNCTION IGRA2FE 298.15 +FV5A2FE#*FV4A2FE#**(-1)+FV4A2FE#**(-1); 6000 N !
FUNCTION INTA2FE 298.15 +IGRA2FE#**(-1)*GPTA2FE#; 6000 N !
FUNCTION TA2FE 298.15 +FV3A2FE#*EXP(INTA2FE#); 6000 N !
FUNCTION IEA2FE 298.15 +1-1*EXP(-TA2FE#*T**(-1)); 6000 N !
FUNCTION IE0A2FE 298.15 +1-1*EXP(-FV3A2FE#*T**(-1)); 6000 N !
FUNCTION HSEA2FE 298.15 +4701.3908; 6000 N !
FUNCTION SSEA2FE 298.15 +9.929623; 6000 N !
FUNCTION DGTA2FE 298.15 -HSEA2FE#+SSEA2FE#*T+GHSERFE#-3*R#*T*LN(IE0A2FE#);
6000 N !
$ parameters for FCC_A1 Fe
FUNCTION FV0A1FE 298.15 +6.831E-06; 6000 N !
FUNCTION FV1A1FE 298.15 +1.65E+11; 6000 N !
FUNCTION FV2A1FE 298.15 +5.25; 6000 N !
FUNCTION FV3A1FE 298.15 +250; 6000 N !
FUNCTION FV4A1FE 298.15 +2.35; 6000 N !
FUNCTION FV5A1FE 298.15 +5; 6000 N !
FUNCTION FV6A1FE 298.15 +1; 6000 N !
FUNCTION FV7A1FE 298.15 +10; 6000 N !
FUNCTION FV8A1FE 298.15 +3; 6000 N !
$ implementation of EOS for FCC_A1 Fe
FUNCTION PA1FE 298.15 +FV1A1FE#**(-1)*P; 6000 N !
FUNCTION BVA1FE 298.15 +FV0A1FE#*FV1A1FE#; 6000 N !
FUNCTION IAA1FE 298.15 +FV2A1FE#-.333333333; 6000 N !
FUNCTION FCA1FE 298.15 +1+1.33333333*IAA1FE#*PA1FE#; 6000 N !
FUNCTION LFCA1FE 298.15 +1*LN(FCA1FE#); 6000 N !
FUNCTION IXCA1FE 298.15 +1-IAA1FE#**(-1)+IAA1FE#**(-1)*EXP(.25*LFCA1FE#);
6000 N !
FUNCTION G2A1FE 298.15 +1.5*FV2A1FE#**3-6*FV2A1FE#**2+8*FV2A1FE#
-3.55555555; 6000 N !
FUNCTION G1A1FE 298.15 -9*FV2A1FE#**3+27*FV2A1FE#**2-24*FV2A1FE#
+5.33333333; 6000 N !
FUNCTION GLA1FE 298.15 +9*FV2A1FE#**3-18*FV2A1FE#**2+9*FV2A1FE#
-1.33333333; 6000 N !
FUNCTION GM1A1FE 298.15 +3*FV2A1FE#**3-3*FV2A1FE#**2+FV2A1FE#-.111111111;
6000 N !
FUNCTION GPCA1FE 298.15 +G2A1FE#*IXCA1FE#**(-2)+G1A1FE#*IXCA1FE#**(-1)
-GLA1FE#*LN(IXCA1FE#)+GM1A1FE#*IXCA1FE#-G2A1FE#-G1A1FE#-GM1A1FE#; 6000
N !
FUNCTION PTA1FE 298.15 +FV1A1FE#**(-1)*P+FV5A1FE#*FV1A1FE#**(-1)*P; 6000
N !
FUNCTION IATA1FE 298.15 +3*FV6A1FE#-1; 6000 N !
FUNCTION FTA1FE 298.15 +1+.666666667*IATA1FE#*PTA1FE#; 6000 N !
FUNCTION LTFA1FE 298.15 +1*LN(FTA1FE#); 6000 N !
FUNCTION IXTA1FE 298.15 +1-IATA1FE#**(-1)+IATA1FE#**(-1)*EXP(.5*LTFA1FE#);
6000 N !
FUNCTION GPTA1FE 298.15 +4.5*FV6A1FE#*IXTA1FE#**(-2)-3*IXTA1FE#**(-2)
-9*FV6A1FE#*IXTA1FE#**(-1)+3*IXTA1FE#**(-1)+4.5*FV6A1FE#; 6000 N !
FUNCTION PT2A1FE 298.15 +FV1A1FE#**(-1)*P+FV7A1FE#*FV1A1FE#**(-1)*P; 6000
N !
FUNCTION IYA1FE 298.15 +1+2*FV8A1FE#*PT2A1FE#; 6000 N !
FUNCTION LYA1FE 298.15 +.5*LN(IYA1FE#); 6000 N !
FUNCTION YA1FE 298.15 +1*EXP(LYA1FE#); 6000 N !
FUNCTION IBA1FE 298.15 +FV8A1FE#**(-1)-FV8A1FE#**(-1)*EXP(LYA1FE#); 6000
N !
FUNCTION GBPA1FE 298.15 +1+FV8A1FE#-FV8A1FE#*EXP(IBA1FE#)
-YA1FE#*EXP(IBA1FE#); 6000 N !
FUNCTION GBMA1FE 298.15 +1+FV8A1FE#; 6000 N !
FUNCTION GBRA1FE 298.15 +GBMA1FE#**(-1)*GBPA1FE#; 6000 N !
FUNCTION IGRA1FE 298.15 +FV5A1FE#*FV4A1FE#**(-1)+FV4A1FE#**(-1); 6000 N !
FUNCTION INTA1FE 298.15 +IGRA1FE#**(-1)*GPTA1FE#; 6000 N !
FUNCTION TA1FE 298.15 +FV3A1FE#*EXP(INTA1FE#); 6000 N !
FUNCTION IEA1FE 298.15 +1-1*EXP(-TA1FE#*T**(-1)); 6000 N !
FUNCTION IE0A1FE 298.15 +1-1*EXP(-FV3A1FE#*T**(-1)); 6000 N !
FUNCTION GQHA1FE 298.15 +24.9435*T*LN(IEA1FE#)-24.9435*T*LN(IE0A1FE#);
6000 N !
FUNCTION C0A1FE 298.15 +1-1*EXP(-.00335401644*FV3A1FE#); 6000 N !
FUNCTION C20A1FE 298.15
+1.12494262E-05*FV3A1FE#**2*EXP(-.00335401644*FV3A1FE#); 6000 N !
FUNCTION CP0A1FE 298.15 +24.9435*C20A1FE#*C0A1FE#**(-2); 6000 N !
FUNCTION IH0A1FE 298.15 +24.9435*FV3A1FE#*C0A1FE#**(-1); 6000 N !
FUNCTION H0A1FE 298.15 +IH0A1FE#*EXP(-.00335401644*FV3A1FE#); 6000 N !
FUNCTION S0A1FE 298.15
+.00335401644*IH0A1FE#*EXP(-.00335401644*FV3A1FE#)-24.9435*LN(C0A1FE#);
6000 N !
FUNCTION GT0A1FE 298.15 +24.9435*T*LN(IE0A1FE#)-H0A1FE#+S0A1FE#*T; 6000 N
!
FUNCTION DGTA1FE 1 -.00167700822*CSEA1FE#*T**2
+.00167700822*CP0A1FE#*T**2; 298.15 Y
-HSEA1FE#+SSEA1FE#*T+GA1FE#-GT0A1FE#+149.075*CSEA1FE#-149.075*CP0A1FE#
-CSEA1FE#*T+CP0A1FE#*T; 6000 N !
$ parameters for HCP_A3 Fe
FUNCTION FV0A3FE 298.15 +6.678E-06; 6000 N !
FUNCTION FV1A3FE 298.15 +1.8E+11; 6000 N !
FUNCTION FV2A3FE 298.15 +5; 6000 N !
FUNCTION FV3A3FE 298.15 +250; 6000 N !
FUNCTION FV4A3FE 298.15 +2.85; 6000 N !
FUNCTION FV5A3FE 298.15 +5.5; 6000 N !
FUNCTION FV6A3FE 298.15 +.7; 6000 N !
FUNCTION FV7A3FE 298.15 +10; 6000 N !
FUNCTION FV8A3FE 298.15 +5; 6000 N !
$ implementation of EOS for HCP_A3 Fe
FUNCTION PA3FE 298.15 +FV1A3FE#**(-1)*P; 6000 N !
FUNCTION BVA3FE 298.15 +FV0A3FE#*FV1A3FE#; 6000 N !
FUNCTION IAA3FE 298.15 +FV2A3FE#-.333333333; 6000 N !
FUNCTION FCA3FE 298.15 +1+1.33333333*IAA3FE#*PA3FE#; 6000 N !
FUNCTION LFCA3FE 298.15 +1*LN(FCA3FE#); 6000 N !
FUNCTION IXCA3FE 298.15 +1-IAA3FE#**(-1)+IAA3FE#**(-1)*EXP(.25*LFCA3FE#);
6000 N !
FUNCTION G2A3FE 298.15 +1.5*FV2A3FE#**3-6*FV2A3FE#**2+8*FV2A3FE#
-3.55555555; 6000 N !
FUNCTION G1A3FE 298.15 -9*FV2A3FE#**3+27*FV2A3FE#**2-24*FV2A3FE#
+5.33333333; 6000 N !
FUNCTION GLA3FE 298.15 +9*FV2A3FE#**3-18*FV2A3FE#**2+9*FV2A3FE#
-1.33333333; 6000 N !
FUNCTION GM1A3FE 298.15 +3*FV2A3FE#**3-3*FV2A3FE#**2+FV2A3FE#-.111111111;
6000 N !
FUNCTION GPCA3FE 298.15 +G2A3FE#*IXCA3FE#**(-2)+G1A3FE#*IXCA3FE#**(-1)
-GLA3FE#*LN(IXCA3FE#)+GM1A3FE#*IXCA3FE#-G2A3FE#-G1A3FE#-GM1A3FE#; 6000
N !
FUNCTION PTA3FE 298.15 +FV1A3FE#**(-1)*P+FV5A3FE#*FV1A3FE#**(-1)*P; 6000
N !
FUNCTION IATA3FE 298.15 +3*FV6A3FE#-1; 6000 N !
FUNCTION FTA3FE 298.15 +1+.666666667*IATA3FE#*PTA3FE#; 6000 N !
FUNCTION LTFA3FE 298.15 +1*LN(FTA3FE#); 6000 N !
FUNCTION IXTA3FE 298.15 +1-IATA3FE#**(-1)+IATA3FE#**(-1)*EXP(.5*LTFA3FE#);
6000 N !
FUNCTION GPTA3FE 298.15 +4.5*FV6A3FE#*IXTA3FE#**(-2)-3*IXTA3FE#**(-2)
-9*FV6A3FE#*IXTA3FE#**(-1)+3*IXTA3FE#**(-1)+4.5*FV6A3FE#; 6000 N !
FUNCTION PT2A3FE 298.15 +FV1A3FE#**(-1)*P+FV7A3FE#*FV1A3FE#**(-1)*P; 6000
N !
FUNCTION IYA3FE 298.15 +1+2*FV8A3FE#*PT2A3FE#; 6000 N !
FUNCTION LYA3FE 298.15 +.5*LN(IYA3FE#); 6000 N !
FUNCTION YA3FE 298.15 +1*EXP(LYA3FE#); 6000 N !
FUNCTION IBA3FE 298.15 +FV8A3FE#**(-1)-FV8A3FE#**(-1)*EXP(LYA3FE#); 6000
N !
FUNCTION GBPA3FE 298.15 +1+FV8A3FE#-FV8A3FE#*EXP(IBA3FE#)
-YA3FE#*EXP(IBA3FE#); 6000 N !
FUNCTION GBMA3FE 298.15 +1+FV8A3FE#; 6000 N !
FUNCTION GBRA3FE 298.15 +GBMA3FE#**(-1)*GBPA3FE#; 6000 N !
FUNCTION IGRA3FE 298.15 +FV5A3FE#*FV4A3FE#**(-1)+FV4A3FE#**(-1); 6000 N !
FUNCTION INTA3FE 298.15 +IGRA3FE#**(-1)*GPTA3FE#; 6000 N !
FUNCTION TA3FE 298.15 +FV3A3FE#*EXP(INTA3FE#); 6000 N !
FUNCTION IEA3FE 298.15 +1-1*EXP(-TA3FE#*T**(-1)); 6000 N !
FUNCTION IE0A3FE 298.15 +1-1*EXP(-FV3A3FE#*T**(-1)); 6000 N !
FUNCTION GQHA3FE 298.15 +24.9435*T*LN(IEA3FE#)-24.9435*T*LN(IE0A3FE#);
6000 N !
FUNCTION C0A3FE 298.15 +1-1*EXP(-.00335401644*FV3A3FE#); 6000 N !
FUNCTION C20A3FE 298.15
+1.12494262E-05*FV3A3FE#**2*EXP(-.00335401644*FV3A3FE#); 6000 N !
FUNCTION CP0A3FE 298.15 +24.9435*C20A3FE#*C0A3FE#**(-2); 6000 N !
FUNCTION IH0A3FE 298.15 +24.9435*FV3A3FE#*C0A3FE#**(-1); 6000 N !
FUNCTION H0A3FE 298.15 +IH0A3FE#*EXP(-.00335401644*FV3A3FE#); 6000 N !
FUNCTION S0A3FE 298.15
+.00335401644*IH0A3FE#*EXP(-.00335401644*FV3A3FE#)-24.9435*LN(C0A3FE#);
6000 N !
FUNCTION GT0A3FE 298.15 +24.9435*T*LN(IE0A3FE#)-H0A3FE#+S0A3FE#*T; 6000 N
!
FUNCTION DGTA3FE 1 -.00167700822*CSEA3FE#*T**2
+.00167700822*CP0A3FE#*T**2; 298.15 Y
-HSEA3FE#+SSEA3FE#*T+GA3FE#-GT0A3FE#+149.075*CSEA3FE#-149.075*CP0A3FE#
-CSEA3FE#*T+CP0A3FE#*T; 6000 N !
$ parameters for pure liquid Fe
FUNCTION FV0L1FE 298.15 +7.084E-06; 6000 N !
FUNCTION FV1L1FE 298.15 +1.5E+11; 6000 N !
FUNCTION FV2L1FE 298.15 +5.1; 6000 N !
FUNCTION FV3L1FE 298.15 +250; 6000 N !
FUNCTION FV4L1FE 298.15 +2.1; 6000 N !
FUNCTION FV5L1FE 298.15 +6; 6000 N !
FUNCTION FV6L1FE 298.15 +1; 6000 N !
FUNCTION FV7L1FE 298.15 +13; 6000 N !
FUNCTION FV8L1FE 298.15 +2.3; 6000 N !
$ implementation of EOS for pure liquid Fe
FUNCTION PL1FE 298.15 +FV1L1FE#**(-1)*P; 6000 N !
FUNCTION BVL1FE 298.15 +FV0L1FE#*FV1L1FE#; 6000 N !
FUNCTION IAL1FE 298.15 +FV2L1FE#-.333333333; 6000 N !
FUNCTION FCL1FE 298.15 +1+1.33333333*IAL1FE#*PL1FE#; 6000 N !
FUNCTION LFCL1FE 298.15 +1*LN(FCL1FE#); 6000 N !
FUNCTION IXCL1FE 298.15 +1-IAL1FE#**(-1)+IAL1FE#**(-1)*EXP(.25*LFCL1FE#);
6000 N !
FUNCTION G2L1FE 298.15 +1.5*FV2L1FE#**3-6*FV2L1FE#**2+8*FV2L1FE#
-3.55555555; 6000 N !
FUNCTION G1L1FE 298.15 -9*FV2L1FE#**3+27*FV2L1FE#**2-24*FV2L1FE#
+5.33333333; 6000 N !
FUNCTION GLL1FE 298.15 +9*FV2L1FE#**3-18*FV2L1FE#**2+9*FV2L1FE#
-1.33333333; 6000 N !
FUNCTION GM1L1FE 298.15 +3*FV2L1FE#**3-3*FV2L1FE#**2+FV2L1FE#-.111111111;
6000 N !
FUNCTION GPCL1FE 298.15 +G2L1FE#*IXCL1FE#**(-2)+G1L1FE#*IXCL1FE#**(-1)
-GLL1FE#*LN(IXCL1FE#)+GM1L1FE#*IXCL1FE#-G2L1FE#-G1L1FE#-GM1L1FE#; 6000
N !
FUNCTION PTL1FE 298.15 +FV1L1FE#**(-1)*P+FV5L1FE#*FV1L1FE#**(-1)*P; 6000
N !
FUNCTION IATL1FE 298.15 +3*FV6L1FE#-1; 6000 N !
FUNCTION FTL1FE 298.15 +1+.666666667*IATL1FE#*PTL1FE#; 6000 N !
FUNCTION LTFL1FE 298.15 +1*LN(FTL1FE#); 6000 N !
FUNCTION IXTL1FE 298.15 +1-IATL1FE#**(-1)+IATL1FE#**(-1)*EXP(.5*LTFL1FE#);
6000 N !
FUNCTION GPTL1FE 298.15 +4.5*FV6L1FE#*IXTL1FE#**(-2)-3*IXTL1FE#**(-2)
-9*FV6L1FE#*IXTL1FE#**(-1)+3*IXTL1FE#**(-1)+4.5*FV6L1FE#; 6000 N !
FUNCTION PT2L1FE 298.15 +FV1L1FE#**(-1)*P+FV7L1FE#*FV1L1FE#**(-1)*P; 6000
N !
FUNCTION IYL1FE 298.15 +1+2*FV8L1FE#*PT2L1FE#; 6000 N !
FUNCTION LYL1FE 298.15 +.5*LN(IYL1FE#); 6000 N !
FUNCTION YL1FE 298.15 +1*EXP(LYL1FE#); 6000 N !
FUNCTION IBL1FE 298.15 +FV8L1FE#**(-1)-FV8L1FE#**(-1)*EXP(LYL1FE#); 6000
N !
FUNCTION GBPL1FE 298.15 +1+FV8L1FE#-FV8L1FE#*EXP(IBL1FE#)
-YL1FE#*EXP(IBL1FE#); 6000 N !
FUNCTION GBML1FE 298.15 +1+FV8L1FE#; 6000 N !
FUNCTION GBRL1FE 298.15 +GBML1FE#**(-1)*GBPL1FE#; 6000 N !
FUNCTION IGRL1FE 298.15 +FV5L1FE#*FV4L1FE#**(-1)+FV4L1FE#**(-1); 6000 N !
FUNCTION INTL1FE 298.15 +IGRL1FE#**(-1)*GPTL1FE#; 6000 N !
FUNCTION TL1FE 298.15 +FV3L1FE#*EXP(INTL1FE#); 6000 N !
FUNCTION IEL1FE 298.15 +1-1*EXP(-TL1FE#*T**(-1)); 6000 N !
FUNCTION IE0L1FE 298.15 +1-1*EXP(-FV3L1FE#*T**(-1)); 6000 N !
FUNCTION GQHL1FE 298.15 +24.9435*T*LN(IEL1FE#)-24.9435*T*LN(IE0L1FE#);
6000 N !
FUNCTION C0L1FE 298.15 +1-1*EXP(-.00335401644*FV3L1FE#); 6000 N !
FUNCTION C20L1FE 298.15
+1.12494262E-05*FV3L1FE#**2*EXP(-.00335401644*FV3L1FE#); 6000 N !
FUNCTION CP0L1FE 298.15 +24.9435*C20L1FE#*C0L1FE#**(-2); 6000 N !
FUNCTION IH0L1FE 298.15 +24.9435*FV3L1FE#*C0L1FE#**(-1); 6000 N !
FUNCTION H0L1FE 298.15 +IH0L1FE#*EXP(-.00335401644*FV3L1FE#); 6000 N !
FUNCTION S0L1FE 298.15
+.00335401644*IH0L1FE#*EXP(-.00335401644*FV3L1FE#)-24.9435*LN(C0L1FE#);
6000 N !
FUNCTION GT0L1FE 298.15 +24.9435*T*LN(IE0L1FE#)-H0L1FE#+S0L1FE#*T; 6000 N
!
FUNCTION DGTL1FE 1 -.00167700822*CSEL1FE#*T**2
+.00167700822*CP0L1FE#*T**2; 298.15 Y
-HSEL1FE#+SSEL1FE#*T+GL1FE#-GT0L1FE#+149.075*CSEL1FE#-149.075*CP0L1FE#
-CSEL1FE#*T+CP0L1FE#*T; 6000 N !
$ parameters for Graphite
FUNCTION FV0A9C 298.15 +5.273E-06; 6000 N !
FUNCTION FV1A9C 298.15 +3.38E+10; 6000 N !
FUNCTION FV2A9C 298.15 +8.9; 6000 N !
FUNCTION FV3A9C1 298.15 +520; 6000 N !
FUNCTION FV4A9C1 298.15 +.7; 6000 N !
FUNCTION FV3A9C2 298.15 +1677; 6000 N !
FUNCTION FV4A9C2 298.15 +.01; 6000 N !
FUNCTION FV5A9C 298.15 +5; 6000 N !
FUNCTION FV6A9C 298.15 +1; 6000 N !
FUNCTION FV7A9C 298.15 +5; 6000 N !
FUNCTION FV8A9C 298.15 +10; 6000 N !
$ implementation of EOS for graphite
FUNCTION PA9C 298.15 +FV1A9C#**(-1)*P; 6000 N !
FUNCTION BVA9C 298.15 +FV0A9C#*FV1A9C#; 6000 N !
FUNCTION IAA9C 298.15 +FV2A9C#-.333333333; 6000 N !
FUNCTION FCA9C 298.15 +1+1.33333333*IAA9C#*PA9C#; 6000 N !
FUNCTION LFCA9C 298.15 +1*LN(FCA9C#); 6000 N !
FUNCTION IXCA9C 298.15 +1-IAA9C#**(-1)+IAA9C#**(-1)*EXP(.25*LFCA9C#);
6000 N !
FUNCTION G2A9C 298.15 +1.5*FV2A9C#**3-6*FV2A9C#**2+8*FV2A9C#-3.55555555;
6000 N !
FUNCTION G1A9C 298.15 -9*FV2A9C#**3+27*FV2A9C#**2-24*FV2A9C#+5.33333333;
6000 N !
FUNCTION GLA9C 298.15 +9*FV2A9C#**3-18*FV2A9C#**2+9*FV2A9C#-1.33333333;
6000 N !
FUNCTION GM1A9C 298.15 +3*FV2A9C#**3-3*FV2A9C#**2+FV2A9C#-.111111111;
6000 N !
FUNCTION GPCA9C 298.15 +G2A9C#*IXCA9C#**(-2)+G1A9C#*IXCA9C#**(-1)
-GLA9C#*LN(IXCA9C#)+GM1A9C#*IXCA9C#-G2A9C#-G1A9C#-GM1A9C#; 6000 N !
FUNCTION PTA9C 298.15 +FV1A9C#**(-1)*P+FV5A9C#*FV1A9C#**(-1)*P; 6000 N !
FUNCTION IATA9C 298.15 +3*FV6A9C#-1; 6000 N !
FUNCTION FTA9C 298.15 +1+.666666667*IATA9C#*PTA9C#; 6000 N !
FUNCTION LTFA9C 298.15 +1*LN(FTA9C#); 6000 N !
FUNCTION IXTA9C 298.15 +1-IATA9C#**(-1)+IATA9C#**(-1)*EXP(.5*LTFA9C#);
6000 N !
FUNCTION GPTA9C 298.15 +4.5*FV6A9C#*IXTA9C#**(-2)-3*IXTA9C#**(-2)
-9*FV6A9C#*IXTA9C#**(-1)+3*IXTA9C#**(-1)+4.5*FV6A9C#; 6000 N !
FUNCTION PT2A9C 298.15 +FV1A9C#**(-1)*P+FV7A9C#*FV1A9C#**(-1)*P; 6000 N !
FUNCTION IYA9C 298.15 +1+2*FV8A9C#*PT2A9C#; 6000 N !
FUNCTION LYA9C 298.15 +.5*LN(IYA9C#); 6000 N !
FUNCTION YA9C 298.15 +1*EXP(LYA9C#); 6000 N !
FUNCTION IBA9C 298.15 +FV8A9C#**(-1)-FV8A9C#**(-1)*EXP(LYA9C#); 6000 N !
FUNCTION GBPA9C 298.15 +1+FV8A9C#-FV8A9C#*EXP(IBA9C#)-YA9C#*EXP(IBA9C#);
6000 N !
FUNCTION GBMA9C 298.15 +1+FV8A9C#; 6000 N !
FUNCTION GBRA9C 298.15 +GBMA9C#**(-1)*GBPA9C#; 6000 N !
FUNCTION IGRA9C1 298.15 +FV5A9C#*FV4A9C1#**(-1)+FV4A9C1#**(-1); 6000 N !
FUNCTION INTA9C1 298.15 +IGRA9C1#**(-1)*GPTA9C#; 6000 N !
FUNCTION TA9C1 298.15 +FV3A9C1#*EXP(INTA9C1#); 6000 N !
FUNCTION IEA9C1 298.15 +1-1*EXP(-TA9C1#*T**(-1)); 6000 N !
FUNCTION IE0A9C1 298.15 +1-1*EXP(-FV3A9C1#*T**(-1)); 6000 N !
FUNCTION IGRA9C2 298.15 +FV5A9C#*FV4A9C2#**(-1)+FV4A9C2#**(-1); 6000 N !
FUNCTION INTA9C2 298.15 +IGRA9C2#**(-1)*GPTA9C#; 6000 N !
FUNCTION TA9C2 298.15 +FV3A9C2#*EXP(INTA9C2#); 6000 N !
FUNCTION IEA9C2 298.15 +1-1*EXP(-TA9C2#*T**(-1)); 6000 N !
FUNCTION IE0A9C2 298.15 +1-1*EXP(-FV3A9C2#*T**(-1)); 6000 N !
FUNCTION HSEA9C 298.15 -1049.14084; 6000 N !
FUNCTION SSEA9C 298.15 +.09009204; 6000 N !
FUNCTION DGTA9C 298.15 -HSEA9C#+SSEA9C#*T+GHSERCC#-2*R#*T*LN(IE0A9C2#)
-R#*T*LN(IE0A9C1#); 6000 N !
$ parameters for diamond
FUNCTION FV0A4C 298.15 +3.4145E-06; 6000 N !
FUNCTION FV1A4C 298.15 +4.47E+11; 6000 N !
FUNCTION FV2A4C 298.15 +3.5; 6000 N !
FUNCTION FV3A4C 298.15 +1650; 6000 N !
FUNCTION FV4A4C 298.15 +.93; 6000 N !
FUNCTION FV5A4C 298.15 +5; 6000 N !
FUNCTION FV6A4C 298.15 +1; 6000 N !
FUNCTION FV7A4C 298.15 +5; 6000 N !
FUNCTION FV8A4C 298.15 +10; 6000 N !
$ impplementation of EOS for diamond
FUNCTION PA4C 298.15 +FV1A4C#**(-1)*P; 6000 N !
FUNCTION BVA4C 298.15 +FV0A4C#*FV1A4C#; 6000 N !
FUNCTION IAA4C 298.15 +FV2A4C#-.333333333; 6000 N !
FUNCTION FCA4C 298.15 +1+1.33333333*IAA4C#*PA4C#; 6000 N !
FUNCTION LFCA4C 298.15 +1*LN(FCA4C#); 6000 N !
FUNCTION IXCA4C 298.15 +1-IAA4C#**(-1)+IAA4C#**(-1)*EXP(.25*LFCA4C#);
6000 N !
FUNCTION G2A4C 298.15 +1.5*FV2A4C#**3-6*FV2A4C#**2+8*FV2A4C#-3.55555555;
6000 N !
FUNCTION G1A4C 298.15 -9*FV2A4C#**3+27*FV2A4C#**2-24*FV2A4C#+5.33333333;
6000 N !
FUNCTION GLA4C 298.15 +9*FV2A4C#**3-18*FV2A4C#**2+9*FV2A4C#-1.33333333;
6000 N !
FUNCTION GM1A4C 298.15 +3*FV2A4C#**3-3*FV2A4C#**2+FV2A4C#-.111111111;
6000 N !
FUNCTION GPCA4C 298.15 +G2A4C#*IXCA4C#**(-2)+G1A4C#*IXCA4C#**(-1)
-GLA4C#*LN(IXCA4C#)+GM1A4C#*IXCA4C#-G2A4C#-G1A4C#-GM1A4C#; 6000 N !
FUNCTION PTA4C 298.15 +FV1A4C#**(-1)*P+FV5A4C#*FV1A4C#**(-1)*P; 6000 N !
FUNCTION IATA4C 298.15 +3*FV6A4C#-1; 6000 N !
FUNCTION FTA4C 298.15 +1+.666666667*IATA4C#*PTA4C#; 6000 N !
FUNCTION LTFA4C 298.15 +1*LN(FTA4C#); 6000 N !
FUNCTION IXTA4C 298.15 +1-IATA4C#**(-1)+IATA4C#**(-1)*EXP(.5*LTFA4C#);
6000 N !
FUNCTION GPTA4C 298.15 +4.5*FV6A4C#*IXTA4C#**(-2)-3*IXTA4C#**(-2)
-9*FV6A4C#*IXTA4C#**(-1)+3*IXTA4C#**(-1)+4.5*FV6A4C#; 6000 N !
FUNCTION PT2A4C 298.15 +FV1A4C#**(-1)*P+FV7A4C#*FV1A4C#**(-1)*P; 6000 N !
FUNCTION IYA4C 298.15 +1+2*FV8A4C#*PT2A4C#; 6000 N !
FUNCTION LYA4C 298.15 +.5*LN(IYA4C#); 6000 N !
FUNCTION YA4C 298.15 +1*EXP(LYA4C#); 6000 N !
FUNCTION IBA4C 298.15 +FV8A4C#**(-1)-FV8A4C#**(-1)*EXP(LYA4C#); 6000 N !
FUNCTION GBPA4C 298.15 +1+FV8A4C#-FV8A4C#*EXP(IBA4C#)-YA4C#*EXP(IBA4C#);
6000 N !
FUNCTION GBMA4C 298.15 +1+FV8A4C#; 6000 N !
FUNCTION GBRA4C 298.15 +GBMA4C#**(-1)*GBPA4C#; 6000 N !
FUNCTION IGRA4C 298.15 +FV5A4C#*FV4A4C#**(-1)+FV4A4C#**(-1); 6000 N !
FUNCTION INTA4C 298.15 +IGRA4C#**(-1)*GPTA4C#; 6000 N !
FUNCTION TA4C 298.15 +FV3A4C#*EXP(INTA4C#); 6000 N !
FUNCTION IEA4C 298.15 +1-1*EXP(-TA4C#*T**(-1)); 6000 N !
FUNCTION IE0A4C 298.15 +1-1*EXP(-FV3A4C#*T**(-1)); 6000 N !
FUNCTION HSEA4C 298.15 +1366.36944; 6000 N !
FUNCTION SSEA4C 298.15 -.0375684493; 6000 N !
FUNCTION DGTA4C 298.15 -HSEA4C#+SSEA4C#*T+GA4C#-3*R#*T*LN(IE0A4C#); 6000 N !
$ parameters for liquid carbon - high pressure part of EOS
FUNCTION FV0L1C 298.15 +3.8E-06; 6000 N !
FUNCTION FV1L1C 298.15 +3E+11; 6000 N !
FUNCTION FV2L1C 298.15 +4; 6000 N !
FUNCTION FV3L1C 298.15 +1350; 6000 N !
FUNCTION FV4L1C 298.15 +1; 6000 N !
FUNCTION FV5L1C 298.15 +5; 6000 N !
FUNCTION FV6L1C 298.15 +1; 6000 N !
FUNCTION FV7L1C 298.15 +5; 6000 N !
FUNCTION FV8L1C 298.15 +5; 6000 N !
$ implementation of EOS for liquid carbon - high pressure part
FUNCTION PL1C 298.15 +FV1L1C#**(-1)*P; 6000 N !
FUNCTION BVL1C 298.15 +FV0L1C#*FV1L1C#; 6000 N !
FUNCTION IAL1C 298.15 +FV2L1C#-.333333333; 6000 N !
FUNCTION FCL1C 298.15 +1+1.33333333*IAL1C#*PL1C#; 6000 N !
FUNCTION LFCL1C 298.15 +1*LN(FCL1C#); 6000 N !
FUNCTION IXCL1C 298.15 +1-IAL1C#**(-1)+IAL1C#**(-1)*EXP(.25*LFCL1C#);
6000 N !
FUNCTION G2L1C 298.15 +1.5*FV2L1C#**3-6*FV2L1C#**2+8*FV2L1C#-3.55555555;
6000 N !
FUNCTION G1L1C 298.15 -9*FV2L1C#**3+27*FV2L1C#**2-24*FV2L1C#+5.33333333;
6000 N !
FUNCTION GLL1C 298.15 +9*FV2L1C#**3-18*FV2L1C#**2+9*FV2L1C#-1.33333333;
6000 N !
FUNCTION GM1L1C 298.15 +3*FV2L1C#**3-3*FV2L1C#**2+FV2L1C#-.111111111;
6000 N !
FUNCTION GPCL1C 298.15 +G2L1C#*IXCL1C#**(-2)+G1L1C#*IXCL1C#**(-1)
-GLL1C#*LN(IXCL1C#)+GM1L1C#*IXCL1C#-G2L1C#-G1L1C#-GM1L1C#; 6000 N !
FUNCTION PTL1C 298.15 +FV1L1C#**(-1)*P+FV5L1C#*FV1L1C#**(-1)*P; 6000 N !
FUNCTION IATL1C 298.15 +3*FV6L1C#-1; 6000 N !
FUNCTION FTL1C 298.15 +1+.666666667*IATL1C#*PTL1C#; 6000 N !
FUNCTION LTFL1C 298.15 +1*LN(FTL1C#); 6000 N !
FUNCTION IXTL1C 298.15 +1-IATL1C#**(-1)+IATL1C#**(-1)*EXP(.5*LTFL1C#);
6000 N !
FUNCTION GPTL1C 298.15 +4.5*FV6L1C#*IXTL1C#**(-2)-3*IXTL1C#**(-2)
-9*FV6L1C#*IXTL1C#**(-1)+3*IXTL1C#**(-1)+4.5*FV6L1C#; 6000 N !
FUNCTION PT2L1C 298.15 +FV1L1C#**(-1)*P+FV7L1C#*FV1L1C#**(-1)*P; 6000 N !
FUNCTION IYL1C 298.15 +1+2*FV8L1C#*PT2L1C#; 6000 N !
FUNCTION LYL1C 298.15 +.5*LN(IYL1C#); 6000 N !
FUNCTION YL1C 298.15 +1*EXP(LYL1C#); 6000 N !
FUNCTION IBL1C 298.15 +FV8L1C#**(-1)-FV8L1C#**(-1)*EXP(LYL1C#); 6000 N !
FUNCTION GBPL1C 298.15 +1+FV8L1C#-FV8L1C#*EXP(IBL1C#)-YL1C#*EXP(IBL1C#);
6000 N !
FUNCTION GBML1C 298.15 +1+FV8L1C#; 6000 N !
FUNCTION GBRL1C 298.15 +GBML1C#**(-1)*GBPL1C#; 6000 N !
FUNCTION IGRL1C 298.15 +FV5L1C#*FV4L1C#**(-1)+FV4L1C#**(-1); 6000 N !
FUNCTION INTL1C 298.15 +IGRL1C#**(-1)*GPTL1C#; 6000 N !
FUNCTION TL1C 298.15 +FV3L1C#*EXP(INTL1C#); 6000 N !
FUNCTION IEL1C 298.15 +1-1*EXP(-TL1C#*T**(-1)); 6000 N !
FUNCTION IE0L1C 298.15 +1-1*EXP(-FV3L1C#*T**(-1)); 6000 N !
FUNCTION GQHL1C 298.15 +3*R#*T*LN(IEL1C#)-3*R#*T*LN(IE0L1C#); 6000 N !
FUNCTION DGTL1C 298.15 -HSEA9C#+SSEA9C#*T+GHSERCC#-3*R#*T*LN(IE0L1C#);
6000 N !
$ Parameters for liquid C - low pressure compressible addition
FUNCTION FV0L2C 298.15 +3.6E-06; 6000 N !
FUNCTION FV1L2C 298.15 +4E+09; 6000 N !
FUNCTION FV2L2C 298.15 +.1; 6000 N !
FUNCTION FV3L2C 298.15 +6.5E-05; 6000 N !
FUNCTION FV4L2C 298.15 +500; 6000 N !
$ EOS of liquid C - low pressure compressible addition
FUNCTION PL2C 298.15 +FV1L2C#**(-1)*P; 6000 N !
FUNCTION BVL2C 298.15 +FV0L2C#*FV1L2C#; 6000 N !
FUNCTION IBPL2C 298.15 +FV2L2C#-1; 6000 N !
FUNCTION AL2C 298.15 +FV2L2C#*FV3L2C#; 6000 N !
FUNCTION ITL2C 298.15 +1+FV4L2C#**(-1)*T; 6000 N !
FUNCTION LTL2C 298.15 +FV4L2C#*LN(ITL2C#); 6000 N !
FUNCTION ATL2C 298.15 +AL2C#*T-AL2C#*LTL2C#; 6000 N !
FUNCTION FL2C 298.15 +1*EXP(-ATL2C#)+FV2L2C#*PL2C#; 6000 N !
FUNCTION LFL2C 298.15 +1*LN(FL2C#)-FV2L2C#**(-1)*LN(FL2C#); 6000 N !
FUNCTION LF0L2C 298.15 -ATL2C#+FV2L2C#**(-1)*ATL2C#; 6000 N !
FUNCTION GPCL2C 298.15 +IBPL2C#**(-1)*EXP(LFL2C#)
-IBPL2C#**(-1)*EXP(LF0L2C#); 6000 N !
$ parameters for C in Fe:C end-member in FCC_A1 solution
FUNCTION FV0A1C 298.15 +3.5E-06; 6000 N !
FUNCTION FV1A1C 298.15 +2E+11; 6000 N !
FUNCTION FV2A1C 298.15 +9; 6000 N !
FUNCTION FV3A1C 298.15 +1350; 6000 N !
FUNCTION FV4A1C 298.15 +2; 6000 N !
FUNCTION FV5A1C 298.15 +5; 6000 N !
FUNCTION FV6A1C 298.15 +1; 6000 N !
FUNCTION FV7A1C 298.15 +10; 6000 N !
FUNCTION FV8A1C 298.15 +1; 6000 N !
$ EOS for C in Fe:C end-member in FCC_A1 solution
FUNCTION PA1C 298.15 +FV1A1C#**(-1)*P; 6000 N !
FUNCTION BVA1C 298.15 +FV0A1C#*FV1A1C#; 6000 N !
FUNCTION IAA1C 298.15 +FV2A1C#-.333333333; 6000 N !
FUNCTION FCA1C 298.15 +1+1.33333333*IAA1C#*PA1C#; 6000 N !
FUNCTION LFCA1C 298.15 +1*LN(FCA1C#); 6000 N !
FUNCTION IXCA1C 298.15 +1-IAA1C#**(-1)+IAA1C#**(-1)*EXP(.25*LFCA1C#);
6000 N !
FUNCTION G2A1C 298.15 +1.5*FV2A1C#**3-6*FV2A1C#**2+8*FV2A1C#-3.55555555;
6000 N !
FUNCTION G1A1C 298.15 -9*FV2A1C#**3+27*FV2A1C#**2-24*FV2A1C#+5.33333333;
6000 N !
FUNCTION GLA1C 298.15 +9*FV2A1C#**3-18*FV2A1C#**2+9*FV2A1C#-1.33333333;
6000 N !
FUNCTION GM1A1C 298.15 +3*FV2A1C#**3-3*FV2A1C#**2+FV2A1C#-.111111111;
6000 N !
FUNCTION GPCA1C 298.15 +G2A1C#*IXCA1C#**(-2)+G1A1C#*IXCA1C#**(-1)
-GLA1C#*LN(IXCA1C#)+GM1A1C#*IXCA1C#-G2A1C#-G1A1C#-GM1A1C#; 6000 N !
FUNCTION PTA1C 298.15 +FV1A1C#**(-1)*P+FV5A1C#*FV1A1C#**(-1)*P; 6000 N !
FUNCTION IATA1C 298.15 +3*FV6A1C#-1; 6000 N !
FUNCTION FTA1C 298.15 +1+.666666667*IATA1C#*PTA1C#; 6000 N !
FUNCTION LTFA1C 298.15 +1*LN(FTA1C#); 6000 N !
FUNCTION IXTA1C 298.15 +1-IATA1C#**(-1)+IATA1C#**(-1)*EXP(.5*LTFA1C#);
6000 N !
FUNCTION GPTA1C 298.15 +4.5*FV6A1C#*IXTA1C#**(-2)-3*IXTA1C#**(-2)
-9*FV6A1C#*IXTA1C#**(-1)+3*IXTA1C#**(-1)+4.5*FV6A1C#; 6000 N !
FUNCTION PT2A1C 298.15 +FV1A1C#**(-1)*P+FV7A1C#*FV1A1C#**(-1)*P; 6000 N !
FUNCTION IYA1C 298.15 +1+2*FV8A1C#*PT2A1C#; 6000 N !
FUNCTION LYA1C 298.15 +.5*LN(IYA1C#); 6000 N !
FUNCTION YA1C 298.15 +1*EXP(LYA1C#); 6000 N !
FUNCTION IBA1C 298.15 +FV8A1C#**(-1)-FV8A1C#**(-1)*EXP(LYA1C#); 6000 N !
FUNCTION GBPA1C 298.15 +1+FV8A1C#-FV8A1C#*EXP(IBA1C#)-YA1C#*EXP(IBA1C#);
6000 N !
FUNCTION GBMA1C 298.15 +1+FV8A1C#; 6000 N !
FUNCTION GBRA1C 298.15 +GBMA1C#**(-1)*GBPA1C#; 6000 N !
FUNCTION IGRA1C 298.15 +FV5A1C#*FV4A1C#**(-1)+FV4A1C#**(-1); 6000 N !
FUNCTION INTA1C 298.15 +IGRA1C#**(-1)*GPTA1C#; 6000 N !
FUNCTION TA1C 298.15 +FV3A1C#*EXP(INTA1C#); 6000 N !
FUNCTION IEA1C 298.15 +1-1*EXP(-TA1C#*T**(-1)); 6000 N !
FUNCTION IE0A1C 298.15 +1-1*EXP(-FV3A1C#*T**(-1)); 6000 N !
FUNCTION GQHA1C 298.15 +3*R#*T*LN(IEA1C#)-3*R#*T*LN(IE0A1C#); 6000 N !
FUNCTION DGTA1C 298.15 -HSEA9C#+SSEA9C#*T+GHSERCC#-3*R#*T*LN(IE0A1C#);
6000 N !
FUNCTION IGPA1FC 298.15 +BVA1FE#*GPCA1FE#+BVA1C#*GPCA1C#
-DGTA1FE#*GBRA1FE#-DGTA1C#*GBRA1C#; 6000 N !
$ parameters for C in Fe:C end-member in BCC_A2 solution
FUNCTION FV0A2C 298.15 +3.7E-06; 6000 N !
FUNCTION FV1A2C 298.15 +2E+11; 6000 N !
FUNCTION FV2A2C 298.15 +9; 6000 N !
FUNCTION FV3A2C 298.15 +1350; 6000 N !
FUNCTION FV4A2C 298.15 +2; 6000 N !
FUNCTION FV5A2C 298.15 +5; 6000 N !
FUNCTION FV6A2C 298.15 +1; 6000 N !
FUNCTION FV7A2C 298.15 +10; 6000 N !
FUNCTION FV8A2C 298.15 +1; 6000 N !
$ EOS for for C in Fe:C end-member in BCC_A2 solution
FUNCTION PA2C 298.15 +FV1A2C#**(-1)*P; 6000 N !
FUNCTION BVA2C 298.15 +FV0A2C#*FV1A2C#; 6000 N !
FUNCTION IAA2C 298.15 +FV2A2C#-.333333333; 6000 N !
FUNCTION FCA2C 298.15 +1+1.33333333*IAA2C#*PA2C#; 6000 N !
FUNCTION LFCA2C 298.15 +1*LN(FCA2C#); 6000 N !
FUNCTION IXCA2C 298.15 +1-IAA2C#**(-1)+IAA2C#**(-1)*EXP(.25*LFCA2C#);
6000 N !
FUNCTION G2A2C 298.15 +1.5*FV2A2C#**3-6*FV2A2C#**2+8*FV2A2C#-3.55555555;
6000 N !
FUNCTION G1A2C 298.15 -9*FV2A2C#**3+27*FV2A2C#**2-24*FV2A2C#+5.33333333;
6000 N !
FUNCTION GLA2C 298.15 +9*FV2A2C#**3-18*FV2A2C#**2+9*FV2A2C#-1.33333333;
6000 N !
FUNCTION GM1A2C 298.15 +3*FV2A2C#**3-3*FV2A2C#**2+FV2A2C#-.111111111;
6000 N !
FUNCTION GPCA2C 298.15 +G2A2C#*IXCA2C#**(-2)+G1A2C#*IXCA2C#**(-1)
-GLA2C#*LN(IXCA2C#)+GM1A2C#*IXCA2C#-G2A2C#-G1A2C#-GM1A2C#; 6000 N !
FUNCTION PTA2C 298.15 +FV1A2C#**(-1)*P+FV5A2C#*FV1A2C#**(-1)*P; 6000 N !
FUNCTION IATA2C 298.15 +3*FV6A2C#-1; 6000 N !
FUNCTION FTA2C 298.15 +1+.666666667*IATA2C#*PTA2C#; 6000 N !
FUNCTION LTFA2C 298.15 +1*LN(FTA2C#); 6000 N !
FUNCTION IXTA2C 298.15 +1-IATA2C#**(-1)+IATA2C#**(-1)*EXP(.5*LTFA2C#);
6000 N !
FUNCTION GPTA2C 298.15 +4.5*FV6A2C#*IXTA2C#**(-2)-3*IXTA2C#**(-2)
-9*FV6A2C#*IXTA2C#**(-1)+3*IXTA2C#**(-1)+4.5*FV6A2C#; 6000 N !
FUNCTION PT2A2C 298.15 +FV1A2C#**(-1)*P+FV7A2C#*FV1A2C#**(-1)*P; 6000 N !
FUNCTION IYA2C 298.15 +1+2*FV8A2C#*PT2A2C#; 6000 N !
FUNCTION LYA2C 298.15 +.5*LN(IYA2C#); 6000 N !
FUNCTION YA2C 298.15 +1*EXP(LYA2C#); 6000 N !
FUNCTION IBA2C 298.15 +FV8A2C#**(-1)-FV8A2C#**(-1)*EXP(LYA2C#); 6000 N !
FUNCTION GBPA2C 298.15 +1+FV8A2C#-FV8A2C#*EXP(IBA2C#)-YA2C#*EXP(IBA2C#);
6000 N !
FUNCTION GBMA2C 298.15 +1+FV8A2C#; 6000 N !
FUNCTION GBRA2C 298.15 +GBMA2C#**(-1)*GBPA2C#; 6000 N !
FUNCTION IGRA2C 298.15 +FV5A2C#*FV4A2C#**(-1)+FV4A2C#**(-1); 6000 N !
FUNCTION INTA2C 298.15 +IGRA2C#**(-1)*GPTA2C#; 6000 N !
FUNCTION TA2C 298.15 +FV3A2C#*EXP(INTA2C#); 6000 N !
FUNCTION IEA2C 298.15 +1-1*EXP(-TA2C#*T**(-1)); 6000 N !
FUNCTION IE0A2C 298.15 +1-1*EXP(-FV3A2C#*T**(-1)); 6000 N !
FUNCTION GQHA2C 298.15 +3*R#*T*LN(IEA2C#)-3*R#*T*LN(IE0A2C#); 6000 N !
FUNCTION DGTA2C 298.15 -HSEA9C#+SSEA9C#*T+GHSERCC#-3*R#*T*LN(IE0A2C#);
6000 N !
FUNCTION IGPA2FC 298.15 +BVA2FE#*GPCA2FE#+3*BVA2C#*GPCA2C#
-DGTA2FE#*GBRA2FE#-3*DGTA2C#*GBRA2C#; 6000 N !
$ parameters for C in Fe:C end-member in HCP_A3 solution
FUNCTION FV0A3C 298.15 +3.5E-06; 6000 N !
FUNCTION FV1A3C 298.15 +2E+11; 6000 N !
FUNCTION FV2A3C 298.15 +9; 6000 N !
FUNCTION FV3A3C 298.15 +1350; 6000 N !
FUNCTION FV4A3C 298.15 +2; 6000 N !
FUNCTION FV5A3C 298.15 +5; 6000 N !
FUNCTION FV6A3C 298.15 +1; 6000 N !
FUNCTION FV7A3C 298.15 +10; 6000 N !
FUNCTION FV8A3C 298.15 +1; 6000 N !
$ EOS for C in Fe:C end-member in HCP_A3 solution
FUNCTION PA3C 298.15 +FV1A3C#**(-1)*P; 6000 N !
FUNCTION BVA3C 298.15 +FV0A3C#*FV1A3C#; 6000 N !
FUNCTION IAA3C 298.15 +FV2A3C#-.333333333; 6000 N !
FUNCTION FCA3C 298.15 +1+1.33333333*IAA3C#*PA3C#; 6000 N !
FUNCTION LFCA3C 298.15 +1*LN(FCA3C#); 6000 N !
FUNCTION IXCA3C 298.15 +1-IAA3C#**(-1)+IAA3C#**(-1)*EXP(.25*LFCA3C#);
6000 N !
FUNCTION G2A3C 298.15 +1.5*FV2A3C#**3-6*FV2A3C#**2+8*FV2A3C#-3.55555555;
6000 N !
FUNCTION G1A3C 298.15 -9*FV2A3C#**3+27*FV2A3C#**2-24*FV2A3C#+5.33333333;
6000 N !
FUNCTION GLA3C 298.15 +9*FV2A3C#**3-18*FV2A3C#**2+9*FV2A3C#-1.33333333;
6000 N !
FUNCTION GM1A3C 298.15 +3*FV2A3C#**3-3*FV2A3C#**2+FV2A3C#-.111111111;
6000 N !
FUNCTION GPCA3C 298.15 +G2A3C#*IXCA3C#**(-2)+G1A3C#*IXCA3C#**(-1)
-GLA3C#*LN(IXCA3C#)+GM1A3C#*IXCA3C#-G2A3C#-G1A3C#-GM1A3C#; 6000 N !
FUNCTION PTA3C 298.15 +FV1A3C#**(-1)*P+FV5A3C#*FV1A3C#**(-1)*P; 6000 N !
FUNCTION IATA3C 298.15 +3*FV6A3C#-1; 6000 N !
FUNCTION FTA3C 298.15 +1+.666666667*IATA3C#*PTA3C#; 6000 N !
FUNCTION LTFA3C 298.15 +1*LN(FTA3C#); 6000 N !
FUNCTION IXTA3C 298.15 +1-IATA3C#**(-1)+IATA3C#**(-1)*EXP(.5*LTFA3C#);
6000 N !
FUNCTION GPTA3C 298.15 +4.5*FV6A3C#*IXTA3C#**(-2)-3*IXTA3C#**(-2)
-9*FV6A3C#*IXTA3C#**(-1)+3*IXTA3C#**(-1)+4.5*FV6A3C#; 6000 N !
FUNCTION PT2A3C 298.15 +FV1A3C#**(-1)*P+FV7A3C#*FV1A3C#**(-1)*P; 6000 N !
FUNCTION IYA3C 298.15 +1+2*FV8A3C#*PT2A3C#; 6000 N !
FUNCTION LYA3C 298.15 +.5*LN(IYA3C#); 6000 N !
FUNCTION YA3C 298.15 +1*EXP(LYA3C#); 6000 N !
FUNCTION IBA3C 298.15 +FV8A3C#**(-1)-FV8A3C#**(-1)*EXP(LYA3C#); 6000 N !
FUNCTION GBPA3C 298.15 +1+FV8A3C#-FV8A3C#*EXP(IBA3C#)-YA3C#*EXP(IBA3C#);
6000 N !
FUNCTION GBMA3C 298.15 +1+FV8A3C#; 6000 N !
FUNCTION GBRA3C 298.15 +GBMA3C#**(-1)*GBPA3C#; 6000 N !
FUNCTION IGRA3C 298.15 +FV5A3C#*FV4A3C#**(-1)+FV4A3C#**(-1); 6000 N !
FUNCTION INTA3C 298.15 +IGRA3C#**(-1)*GPTA3C#; 6000 N !
FUNCTION TA3C 298.15 +FV3A3C#*EXP(INTA3C#); 6000 N !
FUNCTION IEA3C 298.15 +1-1*EXP(-TA3C#*T**(-1)); 6000 N !
FUNCTION IE0A3C 298.15 +1-1*EXP(-FV3A3C#*T**(-1)); 6000 N !
FUNCTION GQHA3C 298.15 +3*R#*T*LN(IEA3C#)-3*R#*T*LN(IE0A3C#); 6000 N !
FUNCTION DGTA3C 298.15 -HSEA9C#+SSEA9C#*T+GHSERCC#-3*R#*T*LN(IE0A3C#);
6000 N !
FUNCTION IGPA3FC 298.15 +BVA3FE#*GPCA3FE#+.5*BVA3C#*GPCA3C#
-DGTA1FE#*GBRA3FE#-.5*DGTA3C#*GBRA3C#; 6000 N !
$ parameters for C-Fe interaction in liquid
FUNCTION FV0L0FC 298.15 -1.53E-06; 6000 N !
FUNCTION FV1L0FC 298.15 +6E+09; 6000 N !
FUNCTION FV2L0FC 298.15 +.5; 6000 N !
$ EOS for interaction C-Fe parameter in liquid
FUNCTION BVL0FC 298.15 +FV0L0FC#*FV1L0FC#; 6000 N !
FUNCTION PL0FC 298.15 +FV1L0FC#**(-1)*P; 6000 N !
FUNCTION IYL0FC 298.15 +1+2*FV2L0FC#*PL0FC#; 6000 N !
FUNCTION LYL0FC 298.15 +.5*LN(IYL0FC#); 6000 N !
FUNCTION YL0FC 298.15 +1*EXP(LYL0FC#); 6000 N !
FUNCTION IBL0FC 298.15 +FV2L0FC#**(-1)-FV2L0FC#**(-1)*EXP(LYL0FC#); 6000
N !
FUNCTION GPCL0FC 298.15 +1+FV2L0FC#-FV2L0FC#*EXP(IBL0FC#)
-YL0FC#*EXP(IBL0FC#); 6000 N !
$ parameters for cementite
FUNCTION FV0FE3C 298.15 +5.755E-06; 6000 N !
FUNCTION FV1FE3C 298.15 +2E+11; 6000 N !
FUNCTION FV2FE3C 298.15 +5.2; 6000 N !
FUNCTION FV3FE3C 298.15 +400; 6000 N !
FUNCTION FV4FE3C 298.15 +1.7; 6000 N !
FUNCTION FV5FE3C 298.15 +5; 6000 N !
FUNCTION FV6FE3C 298.15 +1; 6000 N !
FUNCTION FV7FE3C 298.15 +10; 6000 N !
FUNCTION FV8FE3C 298.15 +4; 6000 N !
$ EOS for cementite
FUNCTION PFE3C 298.15 +FV1FE3C#**(-1)*P; 6000 N !
FUNCTION BVFE3C 298.15 +FV0FE3C#*FV1FE3C#; 6000 N !
FUNCTION IAFE3C 298.15 +FV2FE3C#-.333333333; 6000 N !
FUNCTION FCFE3C 298.15 +1+1.33333333*IAFE3C#*PFE3C#; 6000 N !
FUNCTION LFCFE3C 298.15 +1*LN(FCFE3C#); 6000 N !
FUNCTION IXCFE3C 298.15 +1-IAFE3C#**(-1)+IAFE3C#**(-1)*EXP(.25*LFCFE3C#);
6000 N !
FUNCTION G2FE3C 298.15 +1.5*FV2FE3C#**3-6*FV2FE3C#**2+8*FV2FE3C#
-3.55555555; 6000 N !
FUNCTION G1FE3C 298.15 -9*FV2FE3C#**3+27*FV2FE3C#**2-24*FV2FE3C#
+5.33333333; 6000 N !
FUNCTION GLFE3C 298.15 +9*FV2FE3C#**3-18*FV2FE3C#**2+9*FV2FE3C#
-1.33333333; 6000 N !
FUNCTION GM1FE3C 298.15 +3*FV2FE3C#**3-3*FV2FE3C#**2+FV2FE3C#-.111111111;
6000 N !
FUNCTION GPCFE3C 298.15 +G2FE3C#*IXCFE3C#**(-2)+G1FE3C#*IXCFE3C#**(-1)
-GLFE3C#*LN(IXCFE3C#)+GM1FE3C#*IXCFE3C#-G2FE3C#-G1FE3C#-GM1FE3C#; 6000
N !
FUNCTION PTFE3C 298.15 +FV1FE3C#**(-1)*P+FV5FE3C#*FV1FE3C#**(-1)*P; 6000
N !
FUNCTION IATFE3C 298.15 +3*FV6FE3C#-1; 6000 N !
FUNCTION FTFE3C 298.15 +1+.666666667*IATFE3C#*PTFE3C#; 6000 N !
FUNCTION LTFFE3C 298.15 +1*LN(FTFE3C#); 6000 N !
FUNCTION IXTFE3C 298.15 +1-IATFE3C#**(-1)+IATFE3C#**(-1)*EXP(.5*LTFFE3C#);
6000 N !
FUNCTION GPTFE3C 298.15 +4.5*FV6FE3C#*IXTFE3C#**(-2)-3*IXTFE3C#**(-2)
-9*FV6FE3C#*IXTFE3C#**(-1)+3*IXTFE3C#**(-1)+4.5*FV6FE3C#; 6000 N !
FUNCTION PT2FE3C 298.15 +FV1FE3C#**(-1)*P+FV7FE3C#*FV1FE3C#**(-1)*P; 6000
N !
FUNCTION IYFE3C 298.15 +1+2*FV8FE3C#*PT2FE3C#; 6000 N !
FUNCTION LYFE3C 298.15 +.5*LN(IYFE3C#); 6000 N !
FUNCTION YFE3C 298.15 +1*EXP(LYFE3C#); 6000 N !
FUNCTION IBFE3C 298.15 +FV8FE3C#**(-1)-FV8FE3C#**(-1)*EXP(LYFE3C#); 6000
N !
FUNCTION GBPFE3C 298.15 +1+FV8FE3C#-FV8FE3C#*EXP(IBFE3C#)
-YFE3C#*EXP(IBFE3C#); 6000 N !
FUNCTION GBMFE3C 298.15 +1+FV8FE3C#; 6000 N !
FUNCTION GBRFE3C 298.15 +GBMFE3C#**(-1)*GBPFE3C#; 6000 N !
FUNCTION IGRFE3C 298.15 +FV5FE3C#*FV4FE3C#**(-1)+FV4FE3C#**(-1); 6000 N !
FUNCTION INTFE3C 298.15 +IGRFE3C#**(-1)*GPTFE3C#; 6000 N !
FUNCTION TFE3C 298.15 +FV3FE3C#*EXP(INTFE3C#); 6000 N !
FUNCTION IEFE3C 298.15 +1-1*EXP(-TFE3C#*T**(-1)); 6000 N !
FUNCTION IE0FE3C 298.15 +1-1*EXP(-FV3FE3C#*T**(-1)); 6000 N !
FUNCTION NMFE3C 298.15 +4; 6000 N !
FUNCTION HSEFE3C 298.15 +11369.9377*NMFE3C#**(-1); 6000 N !
FUNCTION SSEFE3C 298.15 +5.64125926*NMFE3C#**(-1); 6000 N !
FUNCTION DGTFE3C 298.15 -HSEFE3C#+SSEFE3C#*T+GFECEM#*NMFE3C#**(-1)
-3*R#*T*LN(IE0FE3C#); 6000 N !
$ functions for calculation of magnetic Gibbs energy of Cementite
FUNCTION AM1FE3C 298.15 +1-1E-10*P; 6000 N !
FUNCTION AM2FE3C 298.15 +AM1FE3C#**2+1E-04; 6000 N !
FUNCTION AM3FE3C 298.15 +1*LN(AM2FE3C#); 6000 N !
FUNCTION AM4FE3C 298.15 +.5*EXP(.5*AM3FE3C#)+.5*AM1FE3C#; 6000 N !
FUNCTION AM5FE3C 298.15 +.75*LN(AM4FE3C#); 6000 N !
FUNCTION BMFE3C 298.15 +1.008; 6000 N !
FUNCTION TCFE3C 298.15 +485*EXP(AM5FE3C#); 6000 N !
$ parameters for Fe7C3
FUNCTION FV0FE7C3 298.15 +5.515E-06; 6000 N !
FUNCTION FV1FE7C3 298.15 +2.55E+11; 6000 N !
FUNCTION FV2FE7C3 298.15 +4; 6000 N !
FUNCTION FV3FE7C3 298.15 +445; 6000 N !
FUNCTION FV4FE7C3 298.15 +1.7; 6000 N !
FUNCTION FV5FE7C3 298.15 +4; 6000 N !
FUNCTION FV6FE7C3 298.15 +1; 6000 N !
FUNCTION FV7FE7C3 298.15 +10; 6000 N !
FUNCTION FV8FE7C3 298.15 +4; 6000 N !
$ EOS for Fe7C3
FUNCTION PFE7C3 298.15 +FV1FE7C3#**(-1)*P; 6000 N !
FUNCTION BVFE7C3 298.15 +FV0FE7C3#*FV1FE7C3#; 6000 N !
FUNCTION IAFE7C3 298.15 +FV2FE7C3#-.333333333; 6000 N !
FUNCTION FCFE7C3 298.15 +1+1.33333333*IAFE7C3#*PFE7C3#; 6000 N !
FUNCTION LFCFE7C3 298.15 +1*LN(FCFE7C3#); 6000 N !
FUNCTION IXCFE7C3 298.15 +1-IAFE7C3#**(-1)
+IAFE7C3#**(-1)*EXP(.25*LFCFE7C3#); 6000 N !
FUNCTION G2FE7C3 298.15 +1.5*FV2FE7C3#**3-6*FV2FE7C3#**2+8*FV2FE7C3#
-3.55555555; 6000 N !
FUNCTION G1FE7C3 298.15 -9*FV2FE7C3#**3+27*FV2FE7C3#**2-24*FV2FE7C3#
+5.33333333; 6000 N !
FUNCTION GLFE7C3 298.15 +9*FV2FE7C3#**3-18*FV2FE7C3#**2+9*FV2FE7C3#
-1.33333333; 6000 N !
FUNCTION GM1FE7C3 298.15 +3*FV2FE7C3#**3-3*FV2FE7C3#**2+FV2FE7C3#
-.111111111; 6000 N !
FUNCTION GPCFE7C3 298.15 +G2FE7C3#*IXCFE7C3#**(-2)
+G1FE7C3#*IXCFE7C3#**(-1)-GLFE7C3#*LN(IXCFE7C3#)+GM1FE7C3#*IXCFE7C3#
-G2FE7C3#-G1FE7C3#-GM1FE7C3#; 6000 N !
FUNCTION PTFE7C3 298.15 +FV1FE7C3#**(-1)*P+FV5FE7C3#*FV1FE7C3#**(-1)*P;
6000 N !
FUNCTION IATFE7C3 298.15 +3*FV6FE7C3#-1; 6000 N !
FUNCTION FTFE7C3 298.15 +1+.666666667*IATFE7C3#*PTFE7C3#; 6000 N !
FUNCTION LTFFE7C3 298.15 +1*LN(FTFE7C3#); 6000 N !
FUNCTION IXTFE7C3 298.15 +1-IATFE7C3#**(-1)
+IATFE7C3#**(-1)*EXP(.5*LTFFE7C3#); 6000 N !
FUNCTION GPTFE7C3 298.15 +4.5*FV6FE7C3#*IXTFE7C3#**(-2)-3*IXTFE7C3#**(-2)
-9*FV6FE7C3#*IXTFE7C3#**(-1)+3*IXTFE7C3#**(-1)+4.5*FV6FE7C3#; 6000 N !
FUNCTION PT2FE7C3 298.15 +FV1FE7C3#**(-1)*P+FV7FE7C3#*FV1FE7C3#**(-1)*P;
6000 N !
FUNCTION IYFE7C3 298.15 +1+2*FV8FE7C3#*PT2FE7C3#; 6000 N !
FUNCTION LYFE7C3 298.15 +.5*LN(IYFE7C3#); 6000 N !
FUNCTION YFE7C3 298.15 +1*EXP(LYFE7C3#); 6000 N !
FUNCTION IBFE7C3 298.15 +FV8FE7C3#**(-1)-FV8FE7C3#**(-1)*EXP(LYFE7C3#);
6000 N !
FUNCTION GBPFE7C3 298.15 +1+FV8FE7C3#-FV8FE7C3#*EXP(IBFE7C3#)
-YFE7C3#*EXP(IBFE7C3#); 6000 N !
FUNCTION GBMFE7C3 298.15 +1+FV8FE7C3#; 6000 N !
FUNCTION GBRFE7C3 298.15 +GBMFE7C3#**(-1)*GBPFE7C3#; 6000 N !
FUNCTION IGRFE7C3 298.15 +FV5FE7C3#*FV4FE7C3#**(-1)+FV4FE7C3#**(-1); 6000
N !
FUNCTION INTFE7C3 298.15 +IGRFE7C3#**(-1)*GPTFE7C3#; 6000 N !
FUNCTION TFE7C3 298.15 +FV3FE7C3#*EXP(INTFE7C3#); 6000 N !
FUNCTION IEFE7C3 298.15 +1-1*EXP(-TFE7C3#*T**(-1)); 6000 N !
FUNCTION IE0FE7C3 298.15 +1-1*EXP(-FV3FE7C3#*T**(-1)); 6000 N !
FUNCTION NMFE7C3 298.15 +10; 6000 N !
FUNCTION GFE7C3 298.15 +2.333333*GFECEM#+.666667*GHSERCC#; 6000 N !
FUNCTION HSEFE7C3 298.15 +.2333333*HSEFE3C#+.0666667*HSEA9C#; 6000 N !
FUNCTION SSEFE7C3 298.15 +.2333333*SSEFE3C#+.0666667*SSEA9C#; 6000 N !
FUNCTION DGTFE7C3 298.15 -HSEFE7C3#+SSEFE7C3#*T+GFE7C3#*NMFE7C3#**(-1)
-3*R#*T*LN(IE0FE7C3#); 6000 N !
$ functions for calculation of magnetic Gibbs energy of Fe7C3
FUNCTION AM1FE7C3 298.15 +1-5E-11*P; 6000 N !
FUNCTION AM2FE7C3 298.15 +AM1FE7C3#**2+1E-04; 6000 N !
FUNCTION AM3FE7C3 298.15 +1*LN(AM2FE7C3#); 6000 N !
FUNCTION AM4FE7C3 298.15 +.5*EXP(.5*AM3FE7C3#)+.5*AM1FE7C3#; 6000 N !
FUNCTION AM5FE7C3 298.15 +1.25*LN(AM4FE7C3#); 6000 N !
FUNCTION BMFE7C3 298.15 +3.5; 6000 N !
FUNCTION TCFE7C3 298.15 +525*EXP(AM5FE7C3#); 6000 N !
$-------------------------------------------------------------------------------
FUNCTION UN_ASS 298.15 +0; 300 N !
$------------------------------------------ End definition of functions---------
$ some technical keywords: magic spell of Thermo-Calc
TYPE_DEFINITION % SEQ *!
DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- !
$-------------------------------------------------------------------------------
$ definition of phases
$ Liquid
PHASE LIQUID:L % 1 1.0 !
CONSTITUENT LIQUID:L :C,FE : !
PARAMETER G(LIQUID,C;0) 298.15 +GLIQC#+BVL1C#*GPCL1C#
+BVL2C#*GPCL2C#+3*R#*T*LN(IEL1C#)-3*R#*T*LN(IE0L1C#)-DGTL1C#*GBRL1C#; 6000
N REF0 !
PARAMETER G(LIQUID,FE;0) 298.15 +GL1FE#+BVL1FE#*GPCL1FE#
+3*R#*T*LN(IEL1FE#)-3*R#*T*LN(IE0L1FE#)-DGTL1FE#*GBRL1FE#; 6000 N REF0 !
PARAMETER G(LIQUID,C,FE;0) 298.15 -124320+28.5*T
+4*BVL0FC#*GPCL0FC#; 6000 N REF0 !
PARAMETER G(LIQUID,C,FE;1) 298.15 +19300; 6000 N 10Hal !
PARAMETER G(LIQUID,C,FE;2) 298.15 +49260-19*T; 6000 N 10Hal !
$ BCC_A2
TYPE_DEFINITION & GES A_P_D BCC_A2 MAGNETIC -1.0 4.00000E-01 !
PHASE BCC_A2 %& 2 1 3 !
CONSTITUENT BCC_A2 :FE : C,VA : !
PARAMETER G(BCC_A2,FE:C;0) 298.15 +GA2FE#+3*GA9C#+322050
+75.667*T+IGPA2FC#+3*R#*T*LN(IEA2FE#)-3*R#*T*LN(IE0A2FE#)
+9*R#*T*LN(IEA2C#)-9*R#*T*LN(IE0A2C#); 6000 N REF0 !
PARAMETER TC(BCC_A2,FE:C;0) 298.15 +1043; 6000 N 91Din !
PARAMETER BMAGN(BCC_A2,FE:C;0) 298.15 +2.22; 6000 N 91Din !
PARAMETER G(BCC_A2,FE:VA;0) 298.15 +GA2FE#+BVA2FE#*GPCA2FE#
+3*R#*T*LN(IEA2FE#)-3*R#*T*LN(IE0A2FE#)-DGTA2FE#*GBRA2FE#; 6000 N REF0 !
PARAMETER TC(BCC_A2,FE:VA;0) 298.15 +1043; 6000 N 10Hal !
PARAMETER BMAGN(BCC_A2,FE:VA;0) 298.15 +2.22; 6000 N 10Hal !
PARAMETER G(BCC_A2,FE:C,VA;0) 1 -190*T; 3900 Y
+0.0; 6000 N 10Hal !
$ Cementite
TYPE_DEFINITION ' GES A_P_D CEMENTITE_D011 MAGNETIC -3.0 2.80000E-01 !
PHASE CEMENTITE_D011 %' 2 3 1 !
CONSTITUENT CEMENTITE_D011 :FE : C : !
PARAMETER TC(CEMENTITE_D011,FE:C;0) 298.15 +TCFE3C#; 6000 N REF0 !
PARAMETER BMAGN(CEMENTITE_D011,FE:C;0) 298.15 +BMFE3C#; 6000 N REF0 !
PARAMETER G(CEMENTITE_D011,FE:C;0) 298.15 +GFECEM#+4*BVFE3C#*GPCFE3C#
+12*R#*T*LN(IEFE3C#)-12*R#*T*LN(IE0FE3C#)-4*DGTFE3C#*GBRFE3C#; 6000 N REF0 !
$ diamond
PHASE DIAMOND_A4 % 1 1.0 !
CONSTITUENT DIAMOND_A4 :C : !
PARAMETER G(DIAMOND_A4,C;0) 298.15 +GA4C#+BVA4C#*GPCA4C#
+3*R#*T*LN(IEA4C#)-3*R#*T*LN(IE0A4C#)-DGTA4C#*GBRA4C#; 6000 N REF0 !
$ FCC
TYPE_DEFINITION ( GES A_P_D FCC_A1 MAGNETIC -3.0 2.80000E-01 !
PHASE FCC_A1 %( 2 1 1 !
CONSTITUENT FCC_A1 :FE : C,VA : !
PARAMETER G(FCC_A1,FE:C;0) 298.15 +GA1FE#+GHSERCC#+77207
-15.877*T+IGPA1FC#+3*R#*T*LN(IEA1FE#)-3*R#*T*LN(IE0A1FE#)
+3*R#*T*LN(IEA1C#)-3*R#*T*LN(IE0A1C#); 6000 N REF0 !
PARAMETER TC(FCC_A1,FE:C;0) 298.15 -201; 6000 N REF0 !
PARAMETER BMAGN(FCC_A1,FE:C;0) 298.15 -2.1; 6000 N REF0 !
PARAMETER G(FCC_A1,FE:VA;0) 298.15 +GA1FE#+BVA1FE#*GPCA1FE#
+3*R#*T*LN(IEA1FE#)-3*R#*T*LN(IE0A1FE#)-DGTA1FE#*GBRA1FE#; 6000 N REF0 !
PARAMETER TC(FCC_A1,FE:VA;0) 298.15 -201; 6000 N REF0 !
PARAMETER BMAGN(FCC_A1,FE:VA;0) 298.15 -2.1; 6000 N REF0 !
PARAMETER G(FCC_A1,FE:C,VA;0) 298.15 -34671; 6000 N REF0 !
$ Graphite
PHASE GRAPHITE % 1 1.0 !
CONSTITUENT GRAPHITE :C : !
PARAMETER G(GRAPHITE,C;0) 298.15 +GA9C#+BVA9C#*GPCA9C#
+R#*T*LN(IEA9C1#)-R#*T*LN(IE0A9C1#)+2*R#*T*LN(IEA9C2#)-2*R#*T*LN(IE0A9C2#)
-DGTA9C#*GBRA9C#; 6000 N REF0 !
$ HCP_A3
TYPE_DEFINITION ) GES A_P_D HCP_A3 MAGNETIC -3.0 2.80000E-01 !
PHASE HCP_A3 %) 2 1 .5 !
CONSTITUENT HCP_A3 :FE : C,VA : !
PARAMETER G(HCP_A3,FE:C;0) 298.15 +GA1FE#+.5*GHSERCC#+52905
-11.9075*T+IGPA3FC#+3*R#*T*LN(IEA1FE#)-3*R#*T*LN(IE0A1FE#)
+1.5*R#*T*LN(IEA3C#)-1.5*R#*T*LN(IE0A3C#); 6000 N REF0 !
PARAMETER G(HCP_A3,FE:VA;0) 298.15 +GA3FE#+BVA3FE#*GPCA3FE#
+3*R#*T*LN(IEA3FE#)-3*R#*T*LN(IE0A3FE#)-DGTA3FE#*GBRA3FE#; 6000 N REF0 !
PARAMETER G(HCP_A3,FE:C,VA;0) 298.15 -22126; 6000 N 10Hal !
$ Fe7C3
TYPE_DEFINITION * GES A_P_D M7C3_D101 MAGNETIC -3.0 2.80000E-01 !
PHASE M7C3_D101 %* 2 7 3 !
CONSTITUENT M7C3_D101 :FE : C : !
PARAMETER TC(M7C3_D101,FE:C;0) 298.15 +TCFE7C3#; 6000 N REF1 !
PARAMETER BMAGN(M7C3_D101,FE:C;0) 298.15 +BMFE7C3#; 6000 N REF1 !
PARAMETER G(M7C3_D101,FE:C;0) 298.15 +32848.5-12.5057*T+10*DGTFE3C#
+10*BVFE7C3#*GPCFE7C3#+30*R#*T*LN(IEFE7C3#)-10*DGTFE3C#*GBRFE7C3#;
6000 N REF1 !
LIST_OF_REFERENCES
NUMBER SOURCE
REF0 'Combination of 10Hal and EOS of this work.'
REF1 'This work.'
07Br 'Brosh et al. CALPHAD 31 (2007) 173–185, EOS.'
91Din 'A.T. Dinsdale, Calphad, 15, 317-425(1991).'
10Hal 'B. Hallstedt, D. Djurovic, J. von Appen, R. Dronskowski, A. Dick,
F. Koermann, T. Hickel, J. Neugebauer,
Calphad, 34, 129-33(2010); Fe-C'
!