Example 3: A Public Database for the Fe-Cr-C Ternary System
$
$ Revision history:
$ Created as PDEMO by Pingfang Shi on 2004-10-05
$ Renamed to DFeCrC by Pingfang Shi on 2006-10-25
$
$ FURTHER MODIFICATIONS:
$ ======================
$ pfs: /20041005 (PDEMO)
$ * Retrieved all definitions from PTERN for the Fe-Cr-C ternary !
$
$ pfs: /20061025 (DFeCrC)
$ * Ignore ELEMENT /- definition.
$ * Modify the L(BCC_A2,FE:C,VA;0) [and L(BCC_A2,CR:C,VA;0)]
$ parameters, in order to avoid BCC-appearance (Fe-C)
$ at temperatures higher than 3900 K.
$ $L(BCC_A2,CR:C,VA;0) 298.15 -190*T; 6000 N REF1 !
$ L(BCC_A2,CR:C,VA;0) 298.15 -190*T; 3000 Y 0; 6000 N REF1 !
$ $L(BCC_A2,FE:C,VA;0) 298.15 -190*T; 6000 N REF3 !
$ L(BCC_A2,FE:C,VA;0) 298.15 -190*T; 3900 Y 0; 6000 N REF3 !
$ * Add Cr into HCP_A3 phase, and
$ add all necessary G0/L parameters (according to SSOL2/TCFE3):
$ G(HCP_A3,CR:VA;0)
$ TC(HCP_A3,CR:VA;0)
$ BMAGN(HCP_A3,CR:VA;0)
$ G(HCP_A3,FE:C;0)
$ G(HCP_A3,CR:C;0)
$ L(HCP_A3,CR:C,VA;0)
$ L(HCP_A3,CR,FE:VA;0)
$ * Add "TMM:300/3000" limits to all three binary joins in the
$ ASSESSED_SYSTEM section.
$ * Change the reference indices, e.g., 101 to REF1, in order to
$ always get the reference list correctly.
$ * Re-arrange database format slightly.
$ * Updated the DATABASE_INFO section.
$------------------------------------------------------------------------
$
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$ DATABASE INFORMATION:
$************************************************************************
$
DATABASE_INFO DFeCrC '
TCS Demo Fe-Cr-C Alloy Solutions Database'
(only for demonstration purposes in TCC-Demo/TCW-Demo)'
************************************************************ '
(Version 1.2, Oct. 2006) ''
Copyright @ 2004-2012: Thermo‑Calc Software AB, Sweden ''
The DFeCrC database (previously called PDEMO) is the TCS Demo Fe-Cr-C '
Alloy Solutions Database, which is especially designed for primarily '
demonstrating the uses of: '
* TCC-Demo software: BIN, TERN, SCHEIL and some other modules; '
* TCW-Demo software: '
"Binary" module calculations of phase diagrams and property diagrams'
in available binary systems; '
"Ternary" module calculations of phase diagrams (e.g., isothermal'
sections, monovariant lines involving liquid, liquidus'
surface projections) and property diagrams in available'
ternary systems; '
"Scheil" module simulations of alloy solidifications; and/or '
"Equilibrium" calculation routines for phase diagrams and property'
diagrams in available binary or ternary systems. '
It can also be used for other types of calculations/simulations in both'
TCC and TCW software, and in their application programming interfaces.''
It includes critically-assessed data for all possible three binary joins'
(i.e. Cr-C, Fe-Cr and Fe-Cr) and one complete ternary alloy solutions '
within the Fe-Cr-C system. However, due to the fact that experimental'
data for the Fe-C and Cr-C binary joins and Fe-Cr-C ternary system at '
extremely-high temperatures are not sufficient, the available assessed'
data can not be applied to temperature conditions higher than 4000 K.''
Included thermodynamic data are available for various stoichiometric '
and solution phases, e.g. liquid mixture, various alloy solutions and '
intermetallic phases. But the gaseous mixture phase is excluded in this'
DEMO version.''
The DFeCrC database can be used not only in calculating various types '
of phase diagrams (binary phase diagrams, ternary isothermal sections,'
ternary monovariant lines involving liquid, ternary liquidus surface '
projections, ternary isopleth sections, etc.) and property diagrams '
(the easiest ways are through the BIN and TERN modules), but also in '
simulating alloy solidification processes (with the SCHEIL module) of'
Fe-based or Cr-based alloys (but limited within the Fe-Cr-C ternary '
system in this DEMO version). Many unique features of the TCC/TCW '
software can be demonstrated using this and other specially-designed '
DEMO databases. ''
However, this DFeCrC database (similar to other DEMO and/or PUBLIC TC '
databases) is provided within the TCC-Demo/TCW-Demo software only for '
the purposes of demonstration, testing and evaluation. For R&D projects'
and teaching activities, you are highly encouraged to only use the FULL'
versions of the TCC and/or TCW software together with some commercial '
databases that are appropriate for your specific applications. Please '
contact us for all kinds of details. ''
Release History: Version 1.1 with minor improvements, Oct. 2004 '
Version 1.2 with minor modifications, Oct. 2006 ''
Edited by: Dr. Pingfang Shi (Thermo‑Calc Software, Oct. 2006). ''
!
$ -----------------------------------------------------------------------
$VERSION_DATE Last update and adjustment: Pingfang Shi, 2004-10-05 !
VERSION_DATE Last update and adjustment: Pingfang Shi, 2006-10-25 !
$
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$ Definition of Elements in the Database System:
$------------------------------------------------------------------------
$ELEM NAME STABLE_ELEMENT_REF ATOMIC MASS H298-H0 S298 !
$------------------------------------------------------------------------
$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 CR BCC_A2 5.1996E+01 4.0500E+03 2.3560E+01!
ELEMENT FE BCC_A2 5.5847E+01 4.4890E+03 2.7280E+01!
$
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$ TYPE_DEFINITIONS for data inclusions:
$------------------------------------------------------------------------
TYPE_DEFINITION % SEQ *!
$
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$ TYPE_DEFINITIONS for phase descriptions:
$------------------------------------------------------------------------
$... For magnetic contributions:
TYPE_DEFINITION A GES AMEND_PHASE_DES @ MAGNETIC -1.0 4.00000E-01 !
TYPE_DEFINITION B GES AMEND_PHASE_DES @ MAGNETIC -3.0 2.80000E-01 !
$... For Cr/Fe-C in FCC phase and Cr/Fe-C in HCP phase:
TYPE_DEFINITION C IF(C) THEN GES AMEND_PHASE_DES @ C_S ,, :C: !
$
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$ Default Commands:
$------------------------------------------------------------------------
$DEFINE_SYSTEM_DEFAULT SPECIES 2 !
DEFINE_SYSTEM_DEFAULT ELEMENT 2 !
DEFAULT_COMMAND DEF_SYS_ELEMENT VA !
$
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$ FUNCTIONS for various phases:
$------------------------------------------------------------------------
$
FUNCT 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 N!
FUNCT GHSERCR 298.15 -8856.94+157.48*T-26.908*T*LN(T)
+.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!
FUNCT GHSERFE 298.15 +1225.7+124.134*T-23.5143*T*LN(T)
-.00439752*T**2-5.8927E-08*T**3+77359*T**(-1); 1811.00 Y
-25383.581+299.31255*T-46*T*LN(T)+2.29603E+31*T**(-9); 6000 N!
FUNCT GFELIQ 298.15 +GHSERFE#+12040.17-6.55843*T
-3.6751551E-21*T**7; 1811 Y
-10839.7+291.302*T-46*T*LN(T); 6000 N!
FUNCT GFEFCC 298.15 +GHSERFE#-1462.4+8.282*T
-1.15*T*LN(T)+6.4E-04*T**2; 1811 Y
-27098.266+300.25256*T-46*T*LN(T)+2.78854E+31*T**(-9); 6000 N!
FUNCT GFECEM 298.15 +GPCEM1#-10745+706.04*T-120.6*T*LN(T); 6000 N!
FUNCT GFEM23C6 298.15 +7.666667*GFECEM#-1.666667*GHSERCC#
+66920-40*T; 6000 N!
FUNCT GCRFCC 298.15 +GHSERCR#+7284+.163*T; 6000 N!
FUNCT GCRM23C6 298.15 -521983+3622.24*T-620.965*T*LN(T)
-.126431*T**2; 6000 N!
FUNCT GCRM3C2 298.15 -100823.8+530.66989*T-89.6694*T*LN(T)
-.0301188*T**2; 6000 N!
FUNCT GCRM7C3 298.15 -201690+1103.128*T-190.177*T*LN(T)
-.0578207*T**2; 6000 N!
FUNCT GPCLIQ 298.15 +YCLIQ#*EXP(ZCLIQ#); 6000 N!
FUNCT ACLIQ 298.15 +2.32E-05*T+2.85E-09*T**2; 6000 N!
FUNCT BCLIQ 298.15 +1+3.2E-10*P; 6000 N!
FUNCT CCLIQ 298.15 1.6E-10; 6000 N!
FUNCT DCLIQ 298.15 +1*LN(BCLIQ#); 6000 N!
FUNCT ECLIQ 298.15 +1*LN(CCLIQ#); 6000 N!
FUNCT VCLIQ 298.15 +7.626E-06*EXP(ACLIQ#); 6000 N!
FUNCT XCLIQ 298.15 +1*EXP(.5*DCLIQ#)-1; 6000 N!
FUNCT YCLIQ 298.15 +VCLIQ#*EXP(-ECLIQ#); 6000 N!
FUNCT ZCLIQ 298.15 +1*LN(XCLIQ#); 6000 N!
FUNCT GPCGRA 298.15 +YCGRA#*EXP(ZCGRA#); 6000 N!
FUNCT ACGRA 298.15 +2.32E-05*T+2.85E-09*T**2; 6000 N!
FUNCT BCGRA 298.15 +1+3.6E-10*P; 6000 N!
FUNCT CCGRA 298.15 3.3E-10; 6000 N!
FUNCT DCGRA 298.15 +1*LN(BCGRA#); 6000 N!
FUNCT ECGRA 298.15 +1*LN(CCGRA#); 6000 N!
FUNCT VCGRA 298.15 +5.259E-06*EXP(ACGRA#); 6000 N!
FUNCT XCGRA 298.15 +1*EXP(.9166667*DCGRA#)-1; 6000 N!
FUNCT YCGRA 298.15 +VCGRA#*EXP(-ECGRA#); 6000 N!
FUNCT ZCGRA 298.15 +1*LN(XCGRA#); 6000 N!
FUNCT GPCFCC 298.15 +YCFCC#*EXP(ZFEFCC#); 6000 N!
FUNCT ACFCC 298.15 +1.44E-04*T; 6000 N!
FUNCT VCFCC 298.15 +1.031E-05*EXP(ACFCC#); 6000 N!
FUNCT YCFCC 298.15 +VCFCC#*EXP(-EFEFCC#); 6000 N!
FUNCT GPCRLIQ 298.15 +YCRLIQ#*EXP(ZCRLIQ#); 6000 N!
FUNCT ACRLIQ 298.15 +1.7E-05*T+9.2E-09*T**2; 6000 N!
FUNCT BCRLIQ 298.15 +1+4.65E-11*P; 6000 N!
FUNCT CCRLIQ 298.15 3.72E-11; 6000 N!
FUNCT DCRLIQ 298.15 +1*LN(BCRLIQ#); 6000 N!
FUNCT ECRLIQ 298.15 +1*LN(CCRLIQ#); 6000 N!
FUNCT VCRLIQ 298.15 +7.653E-06*EXP(ACRLIQ#); 6000 N!
FUNCT XCRLIQ 298.15 +1*EXP(.8*DCRLIQ#)-1; 6000 N!
FUNCT YCRLIQ 298.15 +VCRLIQ#*EXP(-ECRLIQ#); 6000 N!
FUNCT ZCRLIQ 298.15 +1*LN(XCRLIQ#); 6000 N!
FUNCT GPCRBCC 298.15 +YCRBCC#*EXP(ZCRBCC#); 6000 N!
FUNCT ACRBCC 298.15 +1.7E-05*T+9.2E-09*T**2; 6000 N!
FUNCT BCRBCC 298.15 +1+2.6E-11*P; 6000 N!
FUNCT CCRBCC 298.15 2.08E-11; 6000 N!
FUNCT DCRBCC 298.15 +1*LN(BCRBCC#); 6000 N!
FUNCT ECRBCC 298.15 +1*LN(CCRBCC#); 6000 N!
FUNCT VCRBCC 298.15 +7.188E-06*EXP(ACRBCC#); 6000 N!
FUNCT XCRBCC 298.15 +1*EXP(.8*DCRBCC#)-1; 6000 N!
FUNCT YCRBCC 298.15 +VCRBCC#*EXP(-ECRBCC#); 6000 N!
FUNCT ZCRBCC 298.15 +1*LN(XCRBCC#); 6000 N!
FUNCT GPFELIQ 298.15 +YFELIQ#*EXP(ZFELIQ#); 6000 N!
FUNCT AFELIQ 298.15 +1.135E-04*T; 6000 N!
FUNCT BFELIQ 298.15 +1+4.98009787E-12*P+3.20078924E-14*T*P; 6000 N!
FUNCT CFELIQ 298.15 +4.22534787E-12+2.71569924E-14*T; 6000 N!
FUNCT DFELIQ 298.15 +1*LN(BFELIQ#); 6000 N!
FUNCT EFELIQ 298.15 +1*LN(CFELIQ#); 6000 N!
FUNCT VFELIQ 298.15 +6.46677E-06*EXP(AFELIQ#); 6000 N!
FUNCT XFELIQ 298.15 +1*EXP(.8484467*DFELIQ#)-1; 6000 N!
FUNCT YFELIQ 298.15 +VFELIQ#*EXP(-EFELIQ#); 6000 N!
FUNCT ZFELIQ 298.15 +1*LN(XFELIQ#); 6000 N!
FUNCT GPFEFCC 298.15 +YFEFCC#*EXP(ZFEFCC#); 6000 N!
FUNCT AFEFCC 298.15 +7.3097E-05*T; 6000 N!
FUNCT BFEFCC 298.15 +1+3.25236341E-11*P+3.36607808E-16*T*P; 6000 N!
FUNCT CFEFCC 298.15 +2.62285341E-11+2.71455808E-16*T; 6000 N!
FUNCT DFEFCC 298.15 +1*LN(BFEFCC#); 6000 N!
FUNCT EFEFCC 298.15 +1*LN(CFEFCC#); 6000 N!
FUNCT VFEFCC 298.15 +6.688726E-06*EXP(AFEFCC#); 6000 N!
FUNCT XFEFCC 298.15 +1*EXP(.8064454*DFEFCC#)-1; 6000 N!
FUNCT YFEFCC 298.15 +VFEFCC#*EXP(-EFEFCC#); 6000 N!
FUNCT ZFEFCC 298.15 +1*LN(XFEFCC#); 6000 N!
FUNCT GPFEBCC 298.15 +YFEBCC#*EXP(ZFEBCC#); 6000 N!
FUNCT AFEBCC 298.15 +2.3987E-05*T+1.2845E-08*T**2; 6000 N!
FUNCT BFEBCC 298.15 +1+2.80599565E-11*P+3.06481523E-16*T*P; 6000 N!
FUNCT CFEBCC 298.15 +2.20949565E-11+2.41329523E-16*T; 6000 N!
FUNCT DFEBCC 298.15 +1*LN(BFEBCC#); 6000 N!
FUNCT EFEBCC 298.15 +1*LN(CFEBCC#); 6000 N!
FUNCT VFEBCC 298.15 +7.042095E-06*EXP(AFEBCC#); 6000 N!
FUNCT XFEBCC 298.15 +1*EXP(.7874195*DFEBCC#)-1; 6000 N!
FUNCT YFEBCC 298.15 +VFEBCC#*EXP(-EFEBCC#); 6000 N!
FUNCT ZFEBCC 298.15 +1*LN(XFEBCC#); 6000 N!
FUNCT GPFEHCP 298.15 +YFEHCP#*EXP(ZFEHCP#); 6000 N!
FUNCT AFEHCP 298.15 +7.3646E-5*T; 6000 N!
FUNCT BFEHCP 298.15 +1+32.5236341E-12*P+3.36607808E-16*P*T; 6000 N!
FUNCT CFEHCP 298.15 +26.2285341E-12+2.71455808E-16*T; 6000 N!
FUNCT DFEHCP 298.15 +LOG(BFEHCP#); 6000 N!
FUNCT EFEHCP 298.15 +LOG(CFEHCP#); 6000 N!
FUNCT VFEHCP 298.15 +6.59121E-6*EXP(AFEHCP#); 6000 N!
FUNCT XFEHCP 298.15 +EXP(0.8064454*DFEHCP#)-1; 6000 N!
FUNCT YFEHCP 298.15 +VFEHCP#*EXP(-1*EFEHCP#); 6000 N!
FUNCT ZFEHCP 298.15 +LOG(XFEHCP#); 6000 N!
FUNCT GPCEM1 298.15 +VCEM1#*P; 6000 N!
FUNCT ACEM1 298.15 -1.36E-05*T+4E-08*T**2; 6000 N!
FUNCT VCEM1 298.15 +2.339E-05*EXP(ACEM1#); 6000 N!
FUNCT GPSIG1 298.15 +1.09E-04*P; 6000 N!
FUNCT GPSIG2 298.15 +1.117E-04*P; 6000 N!
$
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$ Define the various Phase and their Constituents, and
$ Assign parameters to phases:
$------------------------------------------------------------------------
$PHASE NAME:TYPE MARKCODE #SUBL SITES_IN_EACH_SUBL. !
$------------------------------------------------------------------------
$***** LIQUID (Solution) ************************************************
PHASE LIQUID:L % 1 1.0
> This is metallic liquid solution phase, with C species !
CONST LIQUID:L : C,CR,FE : !
PARAM G(LIQUID,C;0) 298.15 +GHSERCC#+GPCLIQ#
+117369-24.63*T; 6000 N REF0 !
PARAM G(LIQUID,CR;0) 298.15 +GHSERCR#+GPCRLIQ#
+24339.955-11.420225*T+2.37615E-21*T**7; 2180 Y
+GHSERCR#+GPCRLIQ#
+18409.36-8.563683*T+2.88526E+32*T**(-9); 6000 N REF0 !
PARAM G(LIQUID,FE;0) 298.15 +GFELIQ#+GPFELIQ#; 6000 N REF0 !
PARAM L(LIQUID,C,CR;0) 298.15 -90526-25.9116*T; 6000 N REF1 !
PARAM L(LIQUID,C,CR;1) 298.15 +80000; 6000 N REF1 !
PARAM L(LIQUID,C,CR;2) 298.15 +80000; 6000 N REF1 !
PARAM L(LIQUID,C,FE;0) 298.15 -124320+28.5*T; 6000 N REF3 !
PARAM L(LIQUID,C,FE;1) 298.15 +19300; 6000 N REF3 !
PARAM L(LIQUID,C,FE;2) 298.15 +49260-19*T; 6000 N REF3 !
PARAM L(LIQUID,CR,FE;0) 298.15 -14550+6.65*T; 6000 N REF4 !
PARAM L(LIQUID,C,CR,FE;0) 298.15 -496063; 6000 N REF2 !
PARAM L(LIQUID,C,CR,FE;1) 298.15 +57990; 6000 N REF2 !
PARAM L(LIQUID,C,CR,FE;2) 298.15 +61404; 6000 N REF2 !
$***** FCC_A1 (Solution) ************************************************
$PHASE FCC_A1 %BC 2 1 1 !
$ Note the C TYPE_DEF for 2nd FCC composition-set (MC) is not necessary
$ for the (Fe,Cr)-C system.
PHASE FCC_A1 %B 2 1 1 !
CONST FCC_A1 : CR,FE%
: C,VA% : !
PARAM G(FCC_A1,CR:VA;0) 298.15 +GCRFCC#+GPCRBCC#; 6000 N REF0 !
PARAM TC(FCC_A1,CR:VA;0) 298.15 -1109; 6000 N REF0 !
PARAM BMAGN(FCC_A1,CR:VA;0) 298.15 -2.46; 6000 N REF0 !
PARAM G(FCC_A1,FE:VA;0) 298.15 +GFEFCC#+GPFEFCC#; 6000 N REF0 !
PARAM TC(FCC_A1,FE:VA;0) 298.15 -201; 6000 N REF0 !
PARAM BMAGN(FCC_A1,FE:VA;0) 298.15 -2.1; 6000 N REF0 !
PARAM G(FCC_A1,CR:C;0) 298.15 +GHSERCR#+GHSERCC#
+1200-1.94*T; 6000 N REF2 !
PARAM G(FCC_A1,FE:C;0) 298.15 +GFEFCC#+GHSERCC#+GPCFCC#
+77207-15.877*T; 6000 N REF3 !
PARAM TC(FCC_A1,FE:C;0) 298.15 -201; 6000 N REF3 !
PARAM BMAGN(FCC_A1,FE:C;0) 298.15 -2.1; 6000 N REF3 !
PARAM L(FCC_A1,CR:C,VA;0) 298.15 -11977+6.8194*T; 6000 N REF2 !
PARAM L(FCC_A1,FE:C,VA;0) 298.15 -34671; 6000 N REF3 !
PARAM L(FCC_A1,CR,FE:VA;0) 298.15 +10833-7.477*T; 6000 N REF4 !
PARAM L(FCC_A1,CR,FE:VA;1) 298.15 +1410; 6000 N REF4 !
PARAM L(FCC_A1,CR,FE:C;0) 298.15 -74319+3.2353*T; 6000 N REF2 !
$***** BCC_A2 (Solution) ************************************************
PHASE BCC_A2 %A 2 1 3 !
CONST BCC_A2 : CR%,FE%
: C,VA% : !
PARAM G(BCC_A2,CR:VA;0) 298.15 +GHSERCR#+GPCRBCC#; 6000 N REF0 !
PARAM TC(BCC_A2,CR:VA;0) 298.15 -311.5; 6000 N REF0 !
PARAM BMAGN(BCC_A2,CR:VA;0) 298.15 -.01; 6000 N REF0 !
PARAM G(BCC_A2,FE:VA;0) 298.15 +GHSERFE#+GPFEBCC#; 6000 N REF0 !
PARAM TC(BCC_A2,FE:VA;0) 298.15 1043; 6000 N REF0 !
PARAM BMAGN(BCC_A2,FE:VA;0) 298.15 2.22; 6000 N REF0 !
PARAM G(BCC_A2,CR:C;0) 298.15 +GHSERCR#+3*GHSERCC#+GPCRBCC#+3*GPCGRA#
+416000; 6000 N REF1 !
PARAM TC(BCC_A2,CR:C;0) 298.15 -311.5; 6000 N REF1 !
PARAM BMAGN(BCC_A2,CR:C;0) 298.15 -.008; 6000 N REF1 !
PARAM G(BCC_A2,FE:C;0) 298.15 +GHSERFE#+3*GHSERCC#+GPFEBCC#+3*GPCGRA#
+322050+75.667*T; 6000 N REF3 !
PARAM TC(BCC_A2,FE:C;0) 298.15 1043; 6000 N REF3 !
PARAM BMAGN(BCC_A2,FE:C;0) 298.15 2.22; 6000 N REF3 !
$ PF-20061025: Modify the L(BCC_A2,FE:C,VA;0) [and L(BCC_A2,CR:C,VA;0)]
$ parametera, in order to avoid BCC-appearance (Fe-C)
$ at temperatures higher than 3900 K.
$PARAM L(BCC_A2,CR:C,VA;0) 298.15 -190*T; 6000 N REF1 !
PARAM L(BCC_A2,CR:C,VA;0) 298.15 -190*T; 3000 Y 0; 6000 N REFS !
$PARAM L(BCC_A2,FE:C,VA;0) 298.15 -190*T; 6000 N REF3 !
PARAM L(BCC_A2,FE:C,VA;0) 298.15 -190*T; 3900 Y 0; 6000 N REFS !
$
PARAM L(BCC_A2,CR,FE:VA;0) 298.15 +20500-9.68*T; 6000 N REF4 !
PARAM TC(BCC_A2,CR,FE:VA;0) 298.15 1650; 6000 N REF4 !
PARAM TC(BCC_A2,CR,FE:VA;1) 298.15 550; 6000 N REF4 !
PARAM BMAGN(BCC_A2,CR,FE:VA;0) 298.15 -.85; 6000 N REF4 !
PARAM L(BCC_A2,CR,FE:C;0) 298.15 -1250000+667.7*T; 6000 N REF2 !
PARAM TC(BCC_A2,CR,FE:C;0) 298.15 1650; 6000 N REF5 !
PARAM TC(BCC_A2,CR,FE:C;1) 298.15 550; 6000 N REF5 !
PARAM BMAGN(BCC_A2,CR,FE:C;0) 298.15 -.85; 6000 N REF5 !
$***** HCP_A3 (Solution) ************************************************
$PHASE HCP_A3 %BC 2 1 .5 !
$ Note the C TYPE_DEF for 2nd HCP composition-set (M2C) is not necessary
$ for the (Fe,Cr)-C system.
PHASE HCP_A3 %B 2 1 .5 !
CONST HCP_A3 : CR,FE,
: VA%,C : !
PARAM G(HCP_A3,CR:VA;0) 298.15 +GHSERCR#+4438; 6000 N REF1 !
PARAM TC(HCP_A3,CR:VA;0) 298.15 -1109; 6000 N REF1 !
PARAM BMAGN(HCP_A3,CR:VA;0) 298.15 -2.46; 6000 N REF1 !
PARAM G(HCP_A3,FE:VA;0) 298.15 +GHSERFE#+GPFEHCP#
-3705.78+12.591*T-1.15*T*LN(T)+6.4E-04*T**2; 1811 Y
+GHSERFE#+GPFEHCP#
-3957.199+5.24951*T+4.9251E+30*T**(-9); 6000 N REF0 !
PARAM G(HCP_A3,CR:C;0) 298.15 +GHSERCR#+.5*GHSERCC#
-18504+9.4173*T-2.4997*T*LN(T)+.001386*T**2; 6000 N REF1 !
PARAM G(HCP_A3,FE:C;0) 298.15 +GFEFCC#+.5*GHSERCC#+GPCFCC#
+52905-11.9075*T; 6000 N REF3 !
PARAM L(HCP_A3,CR:C,VA;0) 298.15 +4165; 6000 N REF1 !
PARAM L(HCP_A3,FE:C,VA;0) 298.15 -22126; 6000 N REF3 !
$PARAM L(HCP_A3,FE:C,VA;0) 298.15 -17335; 6000 N TCFE3 !
PARAM L(HCP_A3,CR,FE:VA;0) 298.15 +10833-7.477*T; 6000 N REF4 !
$***** SIGMA (Solution) *************************************************
PHASE SIGMA % 3 8 4 18 !
CONST SIGMA : FE
: CR
: CR,FE : !
PARAM G(SIGMA,FE:CR:CR;0) 298.15 +8*GFEFCC#+22*GHSERCR#
+92300-95.96*T+GPSIG1#; 6000 N REF4 !
PARAM G(SIGMA,FE:CR:FE;0) 298.15 +8*GFEFCC#+4*GHSERCR#+18*GHSERFE#
+117300-95.96*T+GPSIG2#; 6000 N REF4 !
$***** CEMENTITE (Solution) *********************************************
PHASE CEMENTITE % 2 3 1 !
CONST CEMENTITE : CR,FE%
: C : !
PARAM G(CEMENTITE,CR:C;0) 298.15 +3*GHSERCR#+GHSERCC#
-48000-9.2888*T; 6000 N REF2 !
PARAM G(CEMENTITE,FE:C;0) 298.15 +GFECEM#; 6000 N REF3 !
PARAM L(CEMENTITE,CR,FE:C;0) 298.15 +25278-17.5*T; 6000 N REF2 !
$***** M3C2 (Compound) **************************************************
PHASE M3C2 % 2 3 2 !
CONST M3C2 : CR
: C : !
PARAM G(M3C2,CR:C;0) 298.15 +GCRM3C2#; 6000 N REF2 !
$***** M7C3 (Solution) **************************************************
PHASE M7C3 % 2 7 3 !
CONST M7C3 : CR%,FE
: C : !
PARAM G(M7C3,CR:C;0) 298.15 +GCRM7C3#; 6000 N REF2 !
PARAM G(M7C3,FE:C;0) 298.15 +7*GHSERFE#+3*GHSERCC#
+75000-48.2168*T; 6000 N REF2 !
PARAM L(M7C3,CR,FE:C;0) 298.15 -4520-10*T; 6000 N REF2 !
$***** M23C6 (Solution) *************************************************
PHASE M23C6 % 3 20 3 6 !
CONST M23C6 : CR%,FE%
: CR%,FE%
: C : !
PARAM G(M23C6,CR:CR:C;0) 298.15 +GCRM23C6#; 6000 N REF5 !
PARAM G(M23C6,FE:CR:C;0) 298.15 +.1304348*GCRM23C6#
+.8695652*GFEM23C6#; 6000 N REF5 !
PARAM G(M23C6,CR:FE:C;0) 298.15 +.8695652*GCRM23C6#
+.1304348*GFEM23C6#; 6000 N REF5 !
PARAM G(M23C6,FE:FE:C;0) 298.15 +GFEM23C6#; 6000 N REF5 !
PARAM L(M23C6,CR,FE:CR:C;0) 298.15 -205342+141.6667*T; 6000 N REF2 !
PARAM L(M23C6,CR,FE:FE:C;0) 298.15 -205342+141.6667*T; 6000 N REF2 !
$***** GRAPHITE (Compound) **********************************************
PHASE GRAPHITE % 1 1.0 !
CONST GRAPHITE : C : !
PARAM G(GRAPHITE,C;0) 298.15 +GHSERCC#+GPCGRA#; 6000 N REF0 !
$
$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
$ ASSESSED_SYSTEMS information:
$ * necessary for the BIN and TERN modules in TCC
$ the Binary Phase Diagram module in TCW
$ and the Equilibrium calculation routine in TCW
$------------------------------------------------------------------------
ASSESSED_SYSTEM
$... Binary ...
C-FE(;P3 TMM:300/4000 *)
C-CR(;P3 TMM:300/4000 *)
CR-FE(;G5 MAJ:BCC/FE:VA C_S:BCC/CR:VA
;P3 TMM:300/3000 STP:.6/1200/1/-2/2)
$ CR-FE(TDB -HCP ;G5 MAJ:BCC/FE:VA C_S:BCC/CR:VA
$ ;P3 TMM:300/3000 STP:.6/1200/1/-2/2)
$
$... Ternary ...
C-CR-FE(;G5 MAJ:BCC/FE:VA C_S:BCC/CR:VA
;P3 STP:.4/.5/1 STP:0.1/0.5/1)
!
$
$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$
$
$ LIST OF REFERENCE:
$
$------------------------------------------------------------------------
LIST_OF_REFERENCES
NUMBER SOURCE
REF0 'Alan Dinsdale, SGTE Data for Pure Elements, Calphad Vol 15(1991)
p 317-425, also in NPL Report DMA(A)195 Rev. August 1990'
REF1 'J-O Andersson, Calphad Vol 11 (1987) p 271-276, TRITA 0314; C-CR'
REF2 'Byeong-Joo Lee, unpublished revision (1991); C-Cr-Fe-Ni'
REF3 'P. Gustafson, Scan. J. Metall. vol 14, (1985) p 259-267
TRITA 0237 (1984); C-FE'
REF4 'J-O Andersson, B. Sundman, CALPHAD Vol 11, (1987), p 83-92
TRITA 0270 (1986); CR-FE'
REF5 'J-O Andersson, Met. Trans A, Vol 19A, (1988) p 627-636
TRITA 0207 (1986); C-CR-FE'
REFS 'Pingfang Shi (2006), TCS PTERN Public Ternary Alloys Database,
v1.2; Modified L0(BCC,Fe,C) and L0(BCC,Cr,C) parameters
at high temperatures.'
!