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AlCoCrNi-2016Liu-minified.TDB
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AlCoCrNi-2016Liu-minified.TDB
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$****************************************************************************
$$ WARNING: TESTED ONLY IN THERMO-CALC, MAY NOT WORK WITH PANDAT OR OTHERS
$$ Al-Co-Cr-Ni Quaternary combined from 4 ternaries:
$$ (1) Al-Co-Cr, (2) Al-Co-Ni, (3) Al-Cr-Ni, (4) Co-Cr-Ni
$$ CRALDAD VERSION 1
$$ ChRome ALuminum D(ensity functional theory)-Amended Database
$****************************************************************************
$$
$$ _______
$$ \\ // / -^--\ |
$$ |||| / /\_____/ /
$$ {\ ______{ } /
$$ {_}{\{\{\{| \=@____/
$$<{_{-{-{-{-| ====---- >>>
$$ { }{/{/{/{|______ _/=@_____
$$ {/ { } \
$$ |||| \ \______ \
$$ // \\ \ _^_\ |
$$ \______/
$$
$****************************************************************************
$$ Database developed by:
$$ Xuan L. Liu, Thomas Gheno
$$ Greta Lindwall, Bonnie Lindahl
$$ Zi-Kui Liu, Brian Gleeson
$$ 2-16-2015
$****************************************************************************
$$ Database based off of work by:
$$ N. Dupin, I. Ansara, B. Sundman,
$$ Thermodynamic Re-Assessment of the Ternary System Al-Cr-Ni,
$$ Calphad, 25 (2), 279-298 (2001); Al-Cr-Ni'
$****************************************************************************
ELEMENT /- ELECTRON_GAS .0000E+00 .0000E+00 .0000E+00!
ELEMENT VA VACUUM .0000E+00 .0000E+00 .0000E+00!
ELEMENT AL FCC_A1 2.6982E+01 4.5773E+03 2.8322E+01!
ELEMENT CO HCP_A3 5.8933E+01 4.7656E+03 3.0040E+01!
ELEMENT CR BCC_A2 5.1996E+01 4.0500E+03 2.3560E+01!
ELEMENT NI FCC_A1 5.8690E+01 4.7870E+03 2.9796E+01!
FUNCTION UNASS 298.15 0;,,N !
TYPE_DEFINITION % SEQ *!
DEFINE_SYSTEM_DEFAULT E 2 !
DEFAULT_COMMAND DEF_SYS_ELEMENT VA !
DATABASE_INFO '''
CRALDAD1, version 2-16-2015'
'
ELEMENTS : Al, Co, Cr, Ni'
'
ASSESSED SYSTEMS :'
'
BINARIES'
Al-Co, Al-Cr, Al-Ni, Co-Cr, Co-Ni, Cr-Ni, '
TERNARIES'
Al-Co-Cr, Al-Co-Ni, Al-Cr-Ni, Co-Cr-Ni, '
'
MODELLING ORDER/DISORDER:'
'
A2/B2 Partitioning'
!
ASSESSED_SYSTEMS
AL-CO(;P3 STP:.75/1200/1)
AL-CR(;G5 MAJ:BCC_B2/CR:CR:VA ;P3 STP:.75/1200/1)
AL-NI(;P3 STP:.75/1200/1)
CO-CR(;G5 MAJ:BCC_B2/CR:CR:VA ;P3 STP:.5/1200/2)
CO-NI(;P3 STP:.75/1200/1)
CR-NI(;G5 MAJ:BCC_B2/CR:CR:VA ;P3 STP:.5/1200/2)
AL-CO-CR(;G5 MAJ:BCC_B2/CR:CR:VA C_S:BCC_B2/AL:CO:VA
;P3 STP:.45/.01/1/2)
AL-CR-NI(;G5 MAJ:BCC_B2/CR:CR:VA C_S:BCC_B2/AL:NI:VA
;P3 STP:.01/.8/2)
AL-CO-NI(;P3 STP:.01/.8/2)
CO-CR-NI(;P3 STP:.01/.8/2)
!
PHASE LIQUID:L % 1 1.0 !
CONST LIQUID:L :AL,CO,CR,NI : !
PHASE FCC_A1 %A 2 1 1 !
CONST FCC_A1 :AL,CO,CR,NI% : VA% : !
PHASE BCC_A2 %B 2 1 3 !
CONST BCC_A2 :AL,CO,CR%,NI,VA : VA : !
PHASE HCP_A3 %A 2 1 .5 !
CONST HCP_A3 :AL,CO,CR,NI : VA% : !
PHASE BCC_B2 %BCW 3 .5 .5 3 !
CONST BCC_B2 :AL,CO,CR,NI%,VA : AL%,CO,CR,NI,VA : VA: !
PHASE L12_FCC %ADG 3 .75 .25 1 !
CONST L12_FCC :AL,CO,CR,NI : AL,CO,CR,NI : VA : !
PHASE SIGMA_SGTE % 3 8 18 4 !
CONST SIGMA_SGTE :AL,CO,NI : AL,CO,CR,NI : CR : !
TYPE_DEFINITION A GES A_P_D @ MAGNETIC -3.0 .28 !
TYPE_DEFINITION B GES A_P_D @ MAGNETIC -1.0 .40 !
TYPE_DEFINITION C GES A_P_D BCC_B2 DIS_PART BCC_A2 !
TYPE_DEFINITION D GES A_P_D L12_FCC DIS_PART FCC_A1 !
FUNCTION ZERO 298.15 0;,,N !
FUNCTION DP 298.15 +P-101325;,,N !
FUNCTION TROIS 298.15 3;,,N !
FUNCTION UNTIER 298.15 TROIS**(-1);,,N !
PARAMETER G(BCC_A2,VA:VA;0) 298.15 0.0;,,N 01DUP !
$****************************************************************************
$
$ UNARY PARAMETERS
$
$----------------------------------------------------------------------------
$
$ Al
$
$ FUNCTIONS
$
FUNCTION F154T 298.15
+323947.58-25.1480943*T-20.859*T*LN(T)
+4.5665E-05*T**2-3.942E-09*T**3-24275.5*T**(-1);
4300.0 Y
+342017.233-54.0526109*T-17.7891*T*LN(T)+6.822E-05*T**2
-1.91111667E-08*T**3-14782200*T**(-1);
8200.0 Y
+542396.07-411.214335*T+22.2419*T*LN(T)-.00349619*T**2
+4.0491E-08*T**3-2.0366965E+08*T**(-1); 1.00000E+04 N !
$
FUNCTION F625T 298.15
+496408.232+35.479739*T-41.6397*T*LN(T)
+.00249636*T**2-4.90507333E-07*T**3+85390.3*T**(-1);
900.00 Y
+497613.221+17.368131*T-38.85476*T*LN(T)-2.249805E-04*T**2
-9.49003167E-09*T**3-5287.23*T**(-1); 2.80000E+03 N !
$
FUNCTION GHSERAL 298.15
-7976.15+137.093038*T-24.3671976*T*LN(T)
-.001884662*T**2-8.77664E-07*T**3+74092*T**(-1);
700.00 Y
-11276.24+223.048446*T-38.5844296*T*LN(T)
+.018531982*T**2-5.764227E-06*T**3+74092*T**(-1);
933.60 Y
-11278.378+188.684153*T-31.748192*T*LN(T)
-1.231E+28*T**(-9);,, N !
$
FUNCTION GHCPAL 298.15 +5481-1.8*T+GHSERAL;,,N !
$
FUNCTION GBCCAL 298.15 +10083-4.813*T+GHSERAL;,,N !
FUNCTION GALBCC 298.15 +10083-4.813*T+GHSERAL;,,N !
$
FUNCTION GLIQAL 298.14
+11005.029-11.841867*T+7.934E-20*T**7+GHSERAL;
933.59 Y
+10482.282-11.253974*T+1.231E+28*T**(-9)+GHSERAL;,,N !
$
FUNCTION GALHCP 298.15 +5481-1.8*T+GHSERAL;,,N !
$
$ LIQUID PHASE
$
PARAMETER G(LIQUID,AL;0) 298.13
+11005.029-11.841867*T+7.934E-20*T**7+GHSERAL;
933.60 Y
+10482.382-11.253974*T+1.231E+28*T**(-9)
+GHSERAL;,,N 91DIN !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,AL:VA;0) 298.15 +GHSERAL;,,N 91DIN !
PARAMETER V0(FCC_A1,AL:VA;0) 298.15 1.0162E-05;,,N DFT !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,AL:VA;0) 298.15 +GBCCAL;,,N 91DIN !
FUNC B2ALVA 295.15 10000-T;,,N !
FUNC LB2ALVA 298.15 150000;,,N !
PARAMETER L(BCC_A2,AL,VA:VA;0) 298.15 B2ALVA+LB2ALVA;,,N 99DUP !
$
$ HCP_A3 PHASE
$
PARAMETER G(HCP_A3,AL:VA;0) 298.15 +GHCPAL;,,N 91DIN !
$
$ BCC_B2 PHASE
$
PARAMETER G(BCC_B2,AL:VA:VA;0) 298.15 .5*B2ALVA-.5*LB2ALVA;,,N 99DUP !
PARAMETER G(BCC_B2,VA:AL:VA;0) 298.15 .5*B2ALVA-.5*LB2ALVA;,,N 99DUP !
$
$----------------------------------------------------------------------------
$
$ Co
$
$ FUNCTIONS
$
$
FUNCTION F7439T 298.15 +416729.448-35.265807*T-20.78*T*LN(T)
-.0080941*T**2+1.95473333E-06*T**3+68440*T**(-1);
6.00000E+02 Y
+415600.439-4.47823809*T-25.919*T*LN(T)-3.217E-04*T**2+1.228E-08*T**3
+69800*T**(-1);
1.60000E+03 Y
+404059.608+60.9456563*T-34.475*T*LN(T)+.00226985*T**2
-1.11743333E-07*T**3+2845480*T**(-1);
5.30000E+03 Y
+619409.166-455.183402*T+25.674*T*LN(T)-.00531515*T**2
+7.04183333E-08*T**3-1.4391985E+08*T**(-1); 1.00000E+04 N !
$
FUNCTION F7591T 298.15 +739344.57+228.270513*T-75.86201*T*LN(T)
+.02653785*T**2-3.82613167E-06*T**3+589055*T**(-1);
9.00000E+02 Y
+766271.806-69.2721015*T-32.277*T*LN(T)-.0051345*T**2+5.3545E-07*T**3
-2559210*T**(-1);
2.50000E+03 Y
+742734.911+122.487527*T-58.296*T*LN(T)+.0049326*T**2
-1.22191667E-07*T**3-1487375*T**(-1);
5.80000E+03 Y
+1148759.49-821.285064*T+51.18*T*LN(T)-.0082646*T**2
+1.77621667E-07*T**3-2.8575475E+08*T**(-1); 6.00000E+03 N !
$
FUNCTION GHSERCO 298.15 +310.241+133.36601*T-25.0861*T*LN(T)
-.002654739*T**2-1.7348E-07*T**3+72526.9*T**(-1); 1.76800E+03 Y
-17197.666+253.28374*T-40.5*T*LN(T)+9.3488E+30*T**(-9);,,N !
$
FUNCTION GCOFCC 298.15 +427.59-.61525*T+GHSERCO;,,N !
$
FUNCTION GCOBCC 298.15 +2938-.7138*T+GHSERCO;,,N !
$
$
$ LIQUID PHASE
$
PARAMETER G(LIQUID,CO;0) 298.15 +15085.037-8.931932*T
-2.19801E-21*T**7+GHSERCO; 1.76800E+03 Y
+16351.056-9.683796*T-9.3488E+30*T**(-9)+GHSERCO;,,N !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,CO:VA;0) 298.15 +GCOFCC;,,N 90DIN !
PARAMETER TC(FCC_A1,CO:VA;0) 298.15 1396;,,N 90DIN !
PARAMETER BMAGN(FCC_A1,CO:VA;0) 298.15 1.35;,,N 90DIN !
PARAMETER V0(FCC_A1,CO:VA;0) 298.15 6.67741E-06;,,N DFT !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,CO:VA;0) 298.15 +GCOBCC;,,N 91DIN !
PARAMETER TC(BCC_A2,CO:VA;0) 298.15 1450;,,N 91DIN !
PARAMETER BMAGN(BCC_A2,CO:VA;0) 298.15 1.35;,,N 91DIN !
FUNCTION GB2COVA 298.15 +148500-35.62*T;,,N 15LIU !
FUNCTION LB2COVA 298.15 +45030-34.47*T;,,N 15LIU !
PARAMETER G(BCC_A2,CO,VA:VA;0) 298.15 +GB2COVA+LB2COVA;,,N 15LIU !
$
$ HCP_A3 PHASE
$
PARAMETER G(HCP_A3,CO:VA;0) 298.15 +GHSERCO;,,N 91DIN !
PARAMETER TC(HCP_A3,CO:VA;0) 298.15 1396;,,N 91DIN !
PARAMETER BMAGN(HCP_A3,CO:VA;0) 298.15 1.35;,,N 91DIN !
$
$ BCC_B2 PHASE
$
PARAMETER G(BCC_B2,CO:VA:VA;0) 298.15 +.5*GB2COVA-.5*LB2COVA;,,N 15LIU !
PARAMETER G(BCC_B2,VA:CO:VA;0) 298.15 +.5*GB2COVA-.5*LB2COVA;,,N 15LIU !
$
$----------------------------------------------------------------------------
$
$ Cr
$
$ FUNCTIONS
$
FUNCTION F7454T 298.15
+390765.331-31.5192154*T-21.36083*T*LN(T)
+7.253215E-04*T**2-1.588679E-07*T**3+10285.15*T**(-1);
1100.0 Y
+393886.928-44.107465*T-19.96003*T*LN(T)+.001513089*T**2
-4.23648333E-07*T**3-722515*T**(-1);
2000.0 Y
+421372.003-231.888524*T+5.362886*T*LN(T)-.00848877*T**2
+2.984635E-07*T**3-6015405*T**(-1);
3300.0 Y
+305164.698+251.019831*T-55.20304*T*LN(T)+.005324585*T**2
-2.850405E-07*T**3+34951485*T**(-1);
5100.0 Y
+1069921.1-1708.93262*T+175.0508*T*LN(T)-.025574185*T**2
+4.94447E-07*T**3-4.4276355E+08*T**(-1);
7600.0 Y
-871952.838+1686.47356*T-204.5589*T*LN(T)+.007475225*T**2
-4.618745E-08*T**3+1.423504E+09*T**(-1); 1.00000E+04 N !
$
FUNCTION F7735T 298.15 +598511.402+41.5353219*T-40.56798*T*LN(T)
+.004961847*T**2-1.61216717E-06*T**3+154422.85*T**(-1);
800.00 Y
+613345.232-104.20799*T-19.7643*T*LN(T)-.007085085*T**2
-4.69883E-07*T**3-1738066.5*T**(-1);
1400.0 Y
+642608.843-369.286259*T+17.64743*T*LN(T)-.02767321*T**2
+1.605906E-06*T**3-5831655*T**(-1);
2300.0 Y
+553119.895+159.188556*T-52.07969*T*LN(T)-.004229401*T**2
+1.5939925E-07*T**3+14793625*T**(-1);
3900.0 Y
+347492.339+623.137624*T-105.0428*T*LN(T)+3.9699545E-04*T**2
+1.51783483E-07*T**3+1.4843765E+08*T**(-1);
5800.0 Y
-484185.055+2598.25559*T-334.7145*T*LN(T)+.028597625*T**2
-4.97520167E-07*T**3+7.135805E+08*T**(-1); 6.00000E+03 N !
$
FUNCTION GHSERCR 298.14
-8856.94+157.48*T-26.908*T*LN(T)
+.00189435*T**2-1.47721E-06*T**3+139250*T**(-1);
2180.0 Y
-34869.344+344.18*T-50*T*LN(T)-2.88526E+32*T**(-9);,,N !
$
FUNCTION GCRLIQ 298.15
+24339.955-11.420225*T+2.37615E-21*T**7+GHSERCR;
2180.0 Y
-16459.984+335.616316*T-50*T*LN(T);,,N !
$
FUNCTION GFCCCR 298.15 +7284+.163*T+GHSERCR;,,N !
$
FUNCTION GHCPCR 298.15 +4438+GHSERCR;,,N !
$
FUNCTION ACRBCC 298.15 +1.7E-05*T+9.2E-09*T**2;,,N !
FUNCTION BCRBCC 298.15 +1+2.6E-11*P;,,N !
FUNCTION CCRBCC 298.15 2.08E-11;,,N !
FUNCTION DCRBCC 298.15 +1*LN(BCRBCC);,,N !
FUNCTION VCRBCC 298.15 +7.188E-06*EXP(ACRBCC);,,N !
FUNCTION ECRBCC 298.15 +1*LN(CCRBCC);,,N !
FUNCTION XCRBCC 298.15 +1*EXP(.8*DCRBCC)-1;,,N !
FUNCTION YCRBCC 298.15 +VCRBCC*EXP(-ECRBCC);,,N !
FUNCTION ZCRBCC 298.15 +1*LN(XCRBCC);,,N !
FUNCTION GPCRBCC 298.15 +YCRBCC*EXP(ZCRBCC);,,N !
$
FUNCTION ACRLIQ 298.15 +1.7E-05*T+9.2E-09*T**2;,,N !
FUNCTION BCRLIQ 298.15 +1+4.65E-11*P;,,N !
FUNCTION CCRLIQ 298.15 3.72E-11;,,N !
FUNCTION DCRLIQ 298.15 +1*LN(BCRLIQ);,,N !
FUNCTION VCRLIQ 298.15 +7.653E-06*EXP(ACRLIQ);,,N !
FUNCTION ECRLIQ 298.15 +1*LN(CCRLIQ);,,N !
FUNCTION XCRLIQ 298.15 +1*EXP(.8*DCRLIQ)-1;,,N !
FUNCTION YCRLIQ 298.15 +VCRLIQ*EXP(-ECRLIQ);,,N !
FUNCTION ZCRLIQ 298.15 +1*LN(XCRLIQ);,,N !
FUNCTION GPCRLIQ 298.15 +YCRLIQ*EXP(ZCRLIQ);,,N !
$
$ LIQUID PHASE
$
PARAMETER G(LIQUID,CR;0) 298.15 +GCRLIQ+GPCRLIQ;,, N 91DIN !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,CR:VA;0) 298.15 +GFCCCR+GPCRBCC;,,N 89DIN !
PARAMETER TC(FCC_A1,CR:VA;0) 298.15 -1109;,,N 89DIN !
PARAMETER BMAGN(FCC_A1,CR:VA;0) 298.15 -2.46;,,N 89DIN !
PARAMETER V0(FCC_A1,CR:VA;0) 298.15 7.28246E-06;,,N DFT !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,CR:VA;0) 298.15 +GHSERCR+GPCRBCC;,,N 91DIN !
PARAMETER TC(BCC_A2,CR:VA;0) 298.15 -311.5;,,N 89DIN !
PARAMETER BMAGN(BCC_A2,CR:VA;0) 298.15 -.008;,,N 89DIN !
PARAMETER L(BCC_A2,CR,VA:VA;0) 298.15 100000;,,N 01DUP !
$
$ HCP_A3 PHASE
$
PARAMETER G(HCP_A3,CR:VA;0) 298.15 +GHCPCR;,,N 90DIN !
PARAMETER TC(HCP_A3,CR:VA;0) 298.15 -1109;,,N 90DIN1 !
PARAMETER BMAGN(HCP_A3,CR:VA;0) 298.15 -2.46;,,N 90DIN1 !
$
$ BCC_B2 PHASE
$
PARAMETER G(BCC_B2,CR:VA:VA;0) 298.15 0;,,N 01DUP !
PARAMETER G(BCC_B2,VA:CR:VA;0) 298.15 0;,,N 01DUP !
$
$----------------------------------------------------------------------------
$
$ Ni
$
$ FUNCTIONS
$
FUNCTION F13191T 298.15
+417658.868-44.7777921*T-20.056*T*LN(T)
-.0060415*T**2+1.24774E-06*T**3-16320*T**(-1);
800.00 Y
+413885.448+9.41787679*T-28.332*T*LN(T)+.00173115*T**2
-8.399E-08*T**3+289050*T**(-1);
3900.0 Y
+440866.732-62.5810038*T-19.819*T*LN(T)+5.067E-04*T**2
-4.93233333E-08*T**3-15879735*T**(-1);
7600.0 Y
+848806.287-813.398164*T+64.69*T*LN(T)-.00731865*T**2
+8.71833333E-08*T**3-3.875846E+08*T**(-1); 10000. N !
$
FUNCTION F13265T 298.15
+638073.279-68.1901928*T-24.897*T*LN(T)
-.0313584*T**2+5.93355333E-06*T**3-14215*T**(-1);
800.00 Y
+611401.772+268.084821*T-75.25401*T*LN(T)+.01088525*T**2
-7.08741667E-07*T**3+2633835*T**(-1);
2100.0 Y
+637459.339+72.0712678*T-48.587*T*LN(T)-9.09E-05*T**2
+9.12933333E-08*T**3-1191755*T**(-1);
4500.0 Y
+564540.781+329.599011*T-80.11301*T*LN(T)+.00578085*T**2
-1.08841667E-07*T**3+29137900*T**(-1); 6000.0 N !
$
FUNCTION GHSERNI 298.14
-5179.159+117.854*T-22.096*T*LN(T)
-.0048407*T**2;
1728.0 Y
-27840.655+279.135*T-43.1*T*LN(T)+1.12754E+31*T**(-9);,, N !
$
FUNCTION GHCPNI 298.15 +1046+1.2552*T+GHSERNI;,,N !
$
FUNCTION GBCCNI 298.15 +8715.084-3.556*T+GHSERNI;,,, N !
FUNCTION GNIBCC 298.15 +8715.084-3.556*T+GHSERNI;,,, N !
$
$
$ LIQUID PHASE
$
PARAMETER G(LIQUID,NI;0) 298.13
+16414.686-9.397*T-3.82318E-21*T**7+GHSERNI;
1728.0 Y
+18290.88-10.537*T-1.12754E+31*T**(-9)
+GHSERNI;,,N 91DIN !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,NI:VA;0) 298.15 +GHSERNI;,,N 91DIN !
PARAMETER TC(FCC_A1,NI:VA;0) 298.15 633;,,N 89DIN !
PARAMETER BMAGN(FCC_A1,NI:VA;0) 298.15 .52;,,N 89DIN !
PARAMETER V0(FCC_A1,NI:VA;0) 298.15 6.69108E-06;,,N DFT !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,NI:VA;0) 298.15 +GBCCNI;,,N 91DIN !
PARAMETER TC(BCC_A2,NI:VA;0) 298.15 575;,,N 89DIN !
PARAMETER BMAGN(BCC_A2,NI:VA;0) 298.15 .85;,,N 89DIN !
FUNC B2NIVA 295.15 +162397.3-27.40575*T;,,N !
FUNC LB2NIVA 298.15 -64024.38+26.49419*T;,,N !
PARAMETER L(BCC_A2,NI,VA:VA;0) 298.15 B2NIVA+LB2NIVA;,,N 99DUP !
$
$ HCP_A3 PHASE
$
PARAMETER G(HCP_A3,NI:VA;0) 298.15 +GHCPNI;,,N 90DIN !
PARAMETER TC(HCP_A3,NI:VA;0) 298.15 633;,,N 88GUI !
PARAMETER BMAGN(HCP_A3,NI:VA;0) 298.15 .52;,,N 88GUI !
$
$ BCC_B2 PHASE
$
PARAMETER G(BCC_B2,VA:NI:VA;0) 298.15 .5*B2NIVA-.5*LB2NIVA;,,N 99DUP !
PARAMETER G(BCC_B2,NI:VA:VA;0) 298.15 .5*B2NIVA-.5*LB2NIVA;,,N 99DUP !
$
$****************************************************************************
$
$ BINARY PARAMETERS
$
$----------------------------------------------------------------------------
$
$ Al-Co
$ From Dupin & Ansara (1998)
$ A2/B2 implemented, LB2ALCO changed slightly
$ in the current work
$
$ LIQUID PHASE
$
PARAMETER G(LIQUID,AL,CO;0) 298.15 -152470+40.259*T;,,N 98DUP !
PARAMETER G(LIQUID,AL,CO;1) 298.15 -57527.5+27.0453*T;,,N 98DUP !
PARAMETER G(LIQUID,AL,CO;2) 298.15 +30494-8.0518*T;,,N 98DUP !
PARAMETER G(LIQUID,AL,CO;3) 298.15 +24655-11.591*T;,,N 98DUP !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,AL,CO:VA;0) 298.15 -122840+22.925*T;,,N 98DUP !
PARAMETER G(FCC_A1,AL,CO:VA;2) 298.15 +24568-4.585*T;,,N 98DUP !
PARAMETER TC(FCC_A1,AL,CO:VA;0) 298.15 -1830;,,N 98DUP !
PARAMETER TC(FCC_A1,AL,CO:VA;1) 298.15 970;,,N 98DUP !
PARAMETER BMAGN(FCC_A1,AL,CO:VA;0) 298.15 10;,,N 98DUP !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,AL,CO:VA;0) 298.15 +GB2ALCO+LB2ALCO;,,N 15LIU !
$
$ HCP_A3 PHASE
$
PARAMETER TC(HCP_A3,AL,CO:VA;0) 298.15 -1830;,,N 98DUP !
PARAMETER TC(HCP_A3,AL,CO:VA;1) 298.15 970;,,N 98DUP !
PARAMETER BMAGN(HCP_A3,AL,CO:VA;0) 298.15 10;,,N 98DUP !
$
$ BCC_B2 PHASE
$ metastable
$ Present work: 2015 CRALDAD
FUNCTION GB2ALCO 298.15 -138500+34.62*T;,,N 98DUP !
FUNCTION LB2ALCO 298.15 +56531-37.04*T;,,N 15LIU !
PARAMETER G(BCC_B2,AL:CO:VA;0) 298.15 +.5*GB2ALCO-.5*LB2ALCO;,,N 15LIU !
PARAMETER G(BCC_B2,CO:AL:VA;0) 298.15 +.5*GB2ALCO-.5*LB2ALCO;,,N 15LIU !
$
$ L12_FCC PHASE
$ metastable
$ Present work: 2015 CRALDAD
$ Using the same interaction constraints shown by Dupin for Al-Cr-Ni
FUN U1ALCO 298.15 -4872;,,N 15LIU !
FUN U3ALCO 298.15 0.0; 6000.00 15LIU !
FUN U4ALCO 298.15 3023; 6000.00 N 15LIU !
FUNCTION L04ALCO 298.15 U3ALCO;,,N !
FUNCTION L14ALCO 298.15 U4ALCO;,,N !
FUNCTION ALCO3 298.15 3*U1ALCO;,,N !
FUNCTION AL2CO2 298.15 4*U1ALCO;,,N !
FUNCTION AL3CO 298.15 3*U1ALCO;,,N !
PARAMETER G(L12_FCC,CO:AL:VA;0) 298.15 +ALCO3;,, N 15LIU !
PARAMETER G(L12_FCC,AL:CO:VA;0) 298.15 +AL3CO;,, N 15LIU !
PARAMETER L(L12_FCC,AL,CO:AL:VA;0) 298.15
-1.5*ALCO3+1.5*AL2CO2+1.5*AL3CO;,,N 15LIU !
PARAMETER L(L12_FCC,AL,CO:CO:VA;0) 298.15
+1.5*ALCO3+1.5*AL2CO2-1.5*AL3CO;,,N 15LIU !
PARAMETER L(L12_FCC,AL,CO:AL:VA;1) 298.15
+0.5*ALCO3-1.5*AL2CO2+1.5*AL3CO;,,N 15LIU !
PARAMETER L(L12_FCC,AL,CO:CO:VA;1) 298.15
-1.5*ALCO3+1.5*AL2CO2-0.5*AL3CO;,,N 15LIU !
PARAMETER L(L12_FCC,*:AL,CO:VA;0) 298.15 +L04ALCO;,,N 15LIU !
PARAMETER L(L12_FCC,*:AL,CO:VA;1) 298.15 +L14ALCO;,,N 15LIU !
PARAMETER L(L12_FCC,AL,CO:*:VA;0) 298.15 +3*L04ALCO;,,N 15LIU !
PARAMETER L(L12_FCC,AL,CO:*:VA;1) 298.15 +3*L14ALCO;,,N 15LIU !
$
$ AL13CO4 PHASE
$
PHASE AL13CO4 % 2 13 4 !
CONSTITUENT AL13CO4 :AL : CO : !
PARAMETER G(AL13CO4,AL:CO;0) 298.15 -711760+170.4*T+13*GHSERAL
+4*GHSERCO;,,N 98DUP !
$
$ AL3CO PHASE
$
PHASE AL3CO % 2 3 1 !
CONSTITUENT AL3CO :AL : CO : !
PARAMETER G(AL3CO,AL:CO;0) 298.15 -174490+41.735*T+3*GHSERAL
+GHSERCO;,,N 98DUP !
$
$ AL5CO2 PHASE
$
PHASE AL5CO2 % 2 5 2 !
CONSTITUENT AL5CO2 :AL : CO : !
PARAMETER G(AL5CO2,AL:CO;0) 298.15 -335100+81.65*T+5*GHSERAL
+2*GHSERCO;,,N 98DUP !
$
$ AL9CO2 PHASE
$
PHASE AL9CO2 % 2 9 2 !
CONSTITUENT AL9CO2 :AL : CO : !
PARAMETER G(AL9CO2,AL:CO;0) 298.15 -391800+103.77*T+9*GHSERAL
+2*GHSERCO;,,N 98DUP !
$
$----------------------------------------------------------------------------
$
$ Al-Cr
$ Mainly from Saunders (COST507)
$ Metastable B2 and L12 from revision of Al-Cr-Ni
$
$ LIQUID PHASE
$
PARAMETER L(LIQUID,AL,CR;0) 298.15 -29000;,,N 91SAU1 !
PARAMETER L(LIQUID,AL,CR;1) 298.15 -11000;,,N 91SAU1 !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,AL,CR:VA;0) 298.15 -45900+6*T;,,N 91SAU1 !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,AL,CR:VA;0) 298.15 -54900+10*T;,,N 91SAU1 !
$
$ BCC_B2 PHASE
$ metastable
$ Present work: july 1999, study of Al-Cr-Ni, revision of NDTH. The B2
$ phase is not stabilized enough to become stable in the Al-Cr. It is
$ thus not in agreement with "T. Helander, and O. Tolochko, J. of Phase
$ Eq, 20 (1) 1999, 57-60." Further study on the extension of the B2 phase
$ towards AlCr in Al-Cr-Ni would be desirable.
PARAMETER G(BCC_B2,AL:CR:VA;0) 298.15 -2000;,,N 01DUP !
PARAMETER G(BCC_B2,CR:AL:VA;0) 298.15 -2000;,,N 01DUP !
$
$ L12_FCC PHASE
$ metastable
$ Present work: july 1999, study of Al-Cr-Ni, revision of NDTH.
FUN U1ALCR 298.15 -830;,,N 01DUP !
FUN U3ALCR 298.15 0.0; 6000.00 01DUP !
FUN U4ALCR 298.15 0.0; 6000.00 N 01DUP !
FUNCTION L04ALCR 298.15 U3ALCR;,,N !
FUNCTION L14ALCR 298.15 U4ALCR;,,N !
FUNCTION ALCR3 298.15 3*U1ALCR;,,N !
FUNCTION AL2CR2 298.15 4*U1ALCR;,,N !
FUNCTION AL3CR 298.15 3*U1ALCR;,,N !
PARAMETER G(L12_FCC,CR:AL:VA;0) 298.15 +ALCR3;,, N 01DUP !
PARAMETER G(L12_FCC,AL:CR:VA;0) 298.15 +AL3CR;,, N 01DUP !
PARAMETER L(L12_FCC,AL,CR:AL:VA;0) 298.15
-1.5*ALCR3+1.5*AL2CR2+1.5*AL3CR;,,N 01DUP !
PARAMETER L(L12_FCC,AL,CR:CR:VA;0) 298.15
+1.5*ALCR3+1.5*AL2CR2-1.5*AL3CR;,,N 01DUP !
PARAMETER L(L12_FCC,AL,CR:AL:VA;1) 298.15
+0.5*ALCR3-1.5*AL2CR2+1.5*AL3CR;,,N 01DUP !
PARAMETER L(L12_FCC,AL,CR:CR:VA;1) 298.15
-1.5*ALCR3+1.5*AL2CR2-0.5*AL3CR;,,N 01DUP !
PARAMETER L(L12_FCC,*:AL,CR:VA;0) 298.15 +L04ALCR;,,N 01DUP !
PARAMETER L(L12_FCC,*:AL,CR:VA;1) 298.15 +L14ALCR;,,N 01DUP !
PARAMETER L(L12_FCC,AL,CR:*:VA;0) 298.15 +3*L04ALCR;,,N 01DUP !
PARAMETER L(L12_FCC,AL,CR:*:VA;1) 298.15 +3*L14ALCR;,,N 01DUP !
$
$ AL11CR2 PHASE
$
PHASE AL11CR2 % 3 10 1 2 !
CONST AL11CR2 :AL : AL : CR : !
PARAMETER G(AL11CR2,AL:AL:CR;0) 298.15
+11*GHSERAL+2*GHSERCR-175500+25.805*T;,,N 91SAU1 !
$
$ AL13CR2 PHASE
$
PHASE AL13CR2 % 2 13 2 !
CONST AL13CR2 :AL : CR : !
PARAMETER G(AL13CR2,AL:CR;0) 298.15
+13*GHSERAL+2*GHSERCR-174405+22.2*T;,,N 91SAU1 !
$
$ AL4CR PHASE
$
PHASE AL4CR % 2 4 1 !
CONST AL4CR :AL : CR : !
PARAMETER G(AL4CR,AL:CR;0) 298.15
+4*GHSERAL+GHSERCR-89025+19.05*T;,,N 91SAU1 !
$
$ AL8CR5_H PHASE
$
PHASE AL8CR5_H % 2 8 5 !
CONST AL8CR5_H :AL : CR : !
PARAMETER G(AL8CR5_H,AL:CR;0) 298.15
+8*GHSERAL+5*GHSERCR-147732-58.5*T;,,N 91SAU1 !
$
$ AL8CR5_L PHASE
$
PHASE AL8CR5_L % 2 8 5 !
CONST AL8CR5_L :AL : CR : !
PARAMETER G(AL8CR5_L,AL:CR;0) 298.15
+8*GHSERAL+5*GHSERCR-229515;,,N 91SAU1 !
$
$ AL9CR4_H PHASE
$
PHASE AL9CR4_H % 2 9 4 !
CONST AL9CR4_H :AL : CR : !
PARAMETER G(AL9CR4_H,AL:CR;0) 298.15
+9*GHSERAL+4*GHSERCR-134433-56.16*T;,,N 91SAU1 !
$
$ AL9CR4_L PHASE
$
PHASE AL9CR4_L % 2 9 4 !
CONST AL9CR4_L :AL : CR : !
PARAMETER G(AL9CR4_L,AL:CR;0) 298.15
+9*GHSERAL+4*GHSERCR-230750+16.094*T;,,N 91SAU1 !
$
$ ALCR2 PHASE
$
PHASE ALCR2 % 2 1 2 !
CONST ALCR2 :AL : CR : !
PARAMETER G(ALCR2,AL:CR;0) 298.15
+GHSERAL+2*GHSERCR-32700-8.79*T;,,N 91SAU1 !
$
$ SIGMA_SGTE PHASE
$ metastable
PARAMETER G(SIGMA_SGTE,AL:AL:CR;0) 298.15
+161148+8*GHSERAL+18*GALBCC+4*GHSERCR;,,N 15LIU !
PARAMETER G(SIGMA_SGTE,AL:CR:CR;0) 298.15
+47886+8*GHSERAL+22*GHSERCR;,,N 15LIU !
$
$----------------------------------------------------------------------------
$
$ Al-Ni
$ Mainly from ND thesis,
$ slightly revised to get better solvus at low temperature
$
$ LIQUID PHASE
$
PARAMETER L(LIQUID,AL,NI;0) 298.15 -207109.28+41.31501*T;,,N 95DUP3 !
PARAMETER L(LIQUID,AL,NI;1) 298.15 -10185.79+5.8714*T;,,N 95DUP3 !
PARAMETER L(LIQUID,AL,NI;2) 298.15 +81204.81-31.95713*T;,,N 95DUP3 !
PARAMETER L(LIQUID,AL,NI;3) 298.15 +4365.35-2.51632*T;,,N 95DUP3 !
PARAMETER L(LIQUID,AL,NI;4) 298.15 -22101.64+13.16341*T;,,N 95DUP3 !
$
$ FCC_A1 PHASE
$
PARAMETER TC(FCC_A1,AL,NI:VA;0) 298.15 -1112;,,N 95DUP3 !
PARAMETER TC(FCC_A1,AL,NI:VA;1) 298.15 1745;,,N 95DUP3 !
PARAMETER G(FCC_A1,AL,NI:VA;0) 298.15 -162407.75+16.212965*T;,,N 95DUP3 !
PARAMETER G(FCC_A1,AL,NI:VA;1) 298.15 +73417.798-34.914168*T;,,N 95DUP3 !
PARAMETER G(FCC_A1,AL,NI:VA;2) 298.15 +33471.014-9.8373558*T;,,N 95DUP3 !
PARAMETER G(FCC_A1,AL,NI:VA;3) 298.15 -30758.01+10.25267*T;,,N 95DUP3 !
$
$ BCC_A2 PHASE
$ metastable
$
FUNC B2ALNI 295.15 -152397.3+26.40575*T;,,N !
FUNC LB2ALNI 298.15 -52440.88+11.30117*T;,,N !
PARAMETER L(BCC_A2,AL,NI:VA;0) 298.15 B2ALNI+LB2ALNI;,,N 99DUP!
$
$ BCC_B2 PHASE
$
PARAMETER G(BCC_B2,AL:NI:VA;0) 298.15 .5*B2ALNI-.5*LB2ALNI;,,N 99DUP !
PARAMETER G(BCC_B2,NI:AL:VA;0) 298.15 .5*B2ALNI-.5*LB2ALNI;,,N 99DUP !
$
$ L12_FCC PHASE
$
FUN UALNI 298.15 -22212.8931+4.39570389*T;,,,N 01DUP !
FUN U1ALNI 298.15 2*UNTIER*UALNI;,,,N 01DUP !
FUN U3ALNI 298.15 0;,,,N 01DUP !
FUN U4ALNI 298.15 7203.60609-3.74273030*T;,,,N 01DUP !
FUNCTION L04ALNI 298.15 U3ALNI;,,N 01DUP !
FUNCTION L14ALNI 298.15 U4ALNI;,,N 01DUP !
FUNCTION ALNI3 298.15 +3*U1ALNI;,,,N 01DUP !
FUNCTION AL2NI2 298.15 +4*U1ALNI;,,,N 01DUP !
FUNCTION AL3NI 298.15 +3*U1ALNI;,,,N 01DUP !
PARAMETER G(L12_FCC,NI:AL:VA;0) 298.15 +ALNI3;,,N 01DUP !
PARAMETER G(L12_FCC,AL:NI:VA;0) 298.15 +AL3NI;,,N 01DUP !
PARAMETER L(L12_FCC,AL,NI:AL:VA;0) 298.15
-1.5*ALNI3+1.5*AL2NI2+1.5*AL3NI;,,N 01DUP !
PARAMETER L(L12_FCC,AL,NI:NI:VA;0) 298.15
+1.5*ALNI3+1.5*AL2NI2-1.5*AL3NI;,,N 01DUP !
PARAMETER L(L12_FCC,AL,NI:AL:VA;1) 298.15
+0.5*ALNI3-1.5*AL2NI2+1.5*AL3NI;,,N 01DUP !
PARAMETER L(L12_FCC,AL,NI:NI:VA;1) 298.15
-1.5*ALNI3+1.5*AL2NI2-0.5*AL3NI;,,N 01DUP !
PARAMETER L(L12_FCC,*:AL,NI:VA;0) 298.15 +L04ALNI;,,N 01DUP !
PARAMETER L(L12_FCC,*:AL,NI:VA;1) 298.15 +L14ALNI;,,N 01DUP !
PARAMETER L(L12_FCC,AL,NI:*:VA;0) 298.15 +3*L04ALNI;,,N 01DUP !
PARAMETER L(L12_FCC,AL,NI:*:VA;1) 298.15 +3*L14ALNI;,,N 01DUP !
$
$ AL3NI1 PHASE
$
PHASE AL3NI1 % 2 .75 .25 !
CONST AL3NI1 :AL : NI : !
PARAMETER G(AL3NI1,AL:NI;0) 298.15
-48483.73+12.29913*T
+.75*GHSERAL+.25*GHSERNI;,,N 95DUP3 !
$
$ AL3NI2 PHASE
$
PHASE AL3NI2 % 3 3 2 1 !
CONST AL3NI2 :AL : AL,NI% : NI,VA% : !
PARAMETER G(AL3NI2,AL:AL:NI;0) 298.15 +5*GBCCAL+GBCCNI
-39465.978+7.89525*T;,,N 95DUP3 !
PARAMETER G(AL3NI2,AL:NI:NI;0) 298.15 +3*GBCCAL+3*GBCCNI
-427191.9+79.21725*T;,,N 95DUP3 !
PARAMETER G(AL3NI2,AL:AL:VA;0) 298.15 +5*GBCCAL
+30000-3*T;,,N 95DUP3 !
PARAMETER G(AL3NI2,AL:NI:VA;0) 298.15 +3*GBCCAL+2*GBCCNI
-357725.92+68.322*T;,,N 95DUP3 !
PARAMETER L(AL3NI2,AL:AL,NI:*;0) 298.15
-193484.18+131.79*T;,,N 95DUP3 !
PARAMETER L(AL3NI2,AL:*:NI,VA;0) 298.15
-22001.7+7.0332*T;,,N 95DUP3 !
$
$ AL3NI5 PHASE
$
PHASE AL3NI5 % 2 .375 .625 !
CONST AL3NI5 :AL : NI : !
PARAMETER G(AL3NI5,AL:NI;0) 298.15 +.375*GHSERAL+.625*GHSERNI
-55507.7594+7.2648103*T;,,N 95DUP3 !
$
$----------------------------------------------------------------------------
$
$ Co-Cr
$ Mainly from Kusoffsky
$ Metastable B2 and L12 from the current work
$
$ LIQUID PHASE
$
PARAMETER G(LIQUID,CO,CR;0) 3.00000E+02 -3034-5.614*T;,,N 97KUS !
PARAMETER G(LIQUID,CO,CR;1) 3.00000E+02 909;,,N 97KUS !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,CO,CR:VA;0) 3.00000E+02 +1500-9.592*T;,,N 97KUS !
PARAMETER TC(FCC_A1,CO,CR:VA;0) 3.00000E+02 -1795;,,N 97KUS !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,CO,CR:VA;0) 298.15 +17208-13.519*T;,,N 97KUS !
PARAMETER G(BCC_A2,CO,CR:VA;1) 298.15 -5470;,,N 97KUS !
$
$ HCP_A3 PHASE
$
PARAMETER G(HCP_A3,CO,CR:VA;0) 3.00000E+02 -6436;,,N 97KUS !
PARAMETER TC(HCP_A3,CO,CR:VA;0) 3.00000E+02 -1795;,,N 97KUS !
$
$ BCC_B2 PHASE
$ metastable
$
$ Present work: 2015 CRALDAD
FUNCTION GB2COCR 298.15 -6.148723*T;,,N 15LIU !
PARAMETER G(BCC_B2,CO:CR:VA;0) 298.15 +.5*GB2COCR;,,N 15LIU !
PARAMETER G(BCC_B2,CR:CO:VA;0) 298.15 +.5*GB2COCR;,,N 15LIU !
$
$ L12_FCC PHASE
$ metastable
$ Present work: 2015 CRALDAD
$ Using the same interaction constraints shown by Dupin for Al-Cr-Ni
FUN U1COCR 298.15 0;,,,N 15LIU !
FUN U3COCR 298.15 0;,,,N 15LIU !
FUN U4COCR 298.15 0;,,,N 15LIU !
FUNCTION L04COCR 298.15 U3COCR;,,N 15LIU !
FUNCTION L14COCR 298.15 U4COCR;,,N 15LIU !
FUNCTION COCR3 298.15 +3*U1COCR;,,,N 15LIU !
FUNCTION CO2CR2 298.15 +4*U1COCR;,,,N 15LIU !
FUNCTION CO3CR 298.15 +3*U1COCR;,,,N 15LIU !
PARAMETER G(L12_FCC,CR:CO:VA;0) 298.15 +COCR3;,, N 15LIU !
PARAMETER G(L12_FCC,CO:CR:VA;0) 298.15 +CO3CR;,, N 15LIU !
PARAMETER L(L12_FCC,CO,CR:CO:VA;0) 298.15
-1.5*COCR3+1.5*CO2CR2+1.5*CO3CR;,,N 15LIU !
PARAMETER L(L12_FCC,CO,CR:CR:VA;0) 298.15
+1.5*COCR3+1.5*CO2CR2-1.5*CO3CR;,,N 15LIU !
PARAMETER L(L12_FCC,CO,CR:CO:VA;1) 298.15
+0.5*COCR3-1.5*CO2CR2+1.5*CO3CR;,,N 15LIU !
PARAMETER L(L12_FCC,CO,CR:CR:VA;1) 298.15
-1.5*COCR3+1.5*CO2CR2-0.5*CO3CR;,,N 15LIU !
PARAMETER L(L12_FCC,*:CO,CR:VA;0) 298.15 +L04COCR;,,N 15LIU !
PARAMETER L(L12_FCC,*:CO,CR:VA;1) 298.15 +L14COCR;,,N 15LIU !
PARAMETER L(L12_FCC,CO,CR:*:VA;0) 298.15 +3*L04COCR;,,N 15LIU !
PARAMETER L(L12_FCC,CO,CR:*:VA;1) 298.15 +3*L14COCR;,,N 15LIU !
$
$ SIGMA_SGTE PHASE
$
PARAMETER G(SIGMA_SGTE,CO:CO:CR;0) 298.15
+17077-30.518*T+8*GCOFCC+18*GCOBCC+4*GHSERCR;,,N 97KUS !
PARAMETER G(SIGMA_SGTE,CO:CR:CR;0) 298.15
-7466-104.215*T+8*GCOFCC+22*GHSERCR;,,N 97KUS !
$
$----------------------------------------------------------------------------
$
$ Co-Ni
$ Mainly from SGTE
$ Metastable B2 and L12 from the current work
$
$ LIQUID PHASE
$
PARAMETER G(LIQUID,CO,NI;0) 298.15 1331;,,N 87GU3 !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,CO,NI:VA;0) 298.15 -800+1.2629*T;,,N 87GU3 !
PARAMETER TC(FCC_A1,CO,NI:VA;0) 298.15 411;,,N 87GU3 !
PARAMETER TC(FCC_A1,CO,NI:VA;1) 298.15 -99;,,N 87GU3 !
PARAMETER BMAGN(FCC_A1,CO,NI:VA;0) 298.15 1.046;,,N 87GU3 !
PARAMETER BMAGN(FCC_A1,CO,NI:VA;1) 298.15 .165;,,N 87GU3 !
$
$ BCC_A2 PHASE
$ metastable
PARAMETER G(BCC_A2,CO,NI:VA;0) 298.15 2000;,,N 87GU3 !
PARAMETER TC(BCC_A2,CO,NI:VA;0) 298.15 556;,,N 87GU3 !
PARAMETER TC(BCC_A2,CO,NI:VA;1) 298.15 -288;,,N 87GU3 !
PARAMETER BMAGN(BCC_A2,CO,NI:VA;0) 298.15 .474;,,N 87GU3 !
$
$ HCP_A3 PHASE
$
PARAMETER G(HCP_A3,CO,NI:VA;0) 298.15 -1620-.385*T;,,N 87GU3 !
PARAMETER TC(HCP_A3,CO,NI:VA;0) 298.15 411;,,N 87GU3 !
PARAMETER TC(HCP_A3,CO,NI:VA;1) 298.15 -99;,,N 87GU3 !
PARAMETER BMAGN(HCP_A3,CO,NI:VA;0) 298.15 1.046;,,N 87GU3 !
PARAMETER BMAGN(HCP_A3,CO,NI:VA;1) 298.15 .165;,,N 87GU3 !
$
$ BCC_B2 PHASE
$ metastable
$
$ Present work: 2015 CRALDAD
FUNCTION GB2CONI 298.15 +7728-3.328*T;,,N 15LIU !
PARAMETER G(BCC_B2,CO:NI:VA;0) 298.15 +.5*GB2CONI;,,N 15LIU !
PARAMETER G(BCC_B2,NI:CO:VA;0) 298.15 +.5*GB2CONI;,,N 15LIU !
$
$ L12_FCC PHASE
$ metastable
$ Present work: 2015 CRALDAD
$ Using the same interaction constraints shown by Dupin for Al-Cr-Ni
FUN U1CONI 298.15 0;,,,N 15LIU !
FUN U3CONI 298.15 0;,,,N 15LIU !
FUN U4CONI 298.15 0;,,,N 15LIU !
FUNCTION L04CONI 298.15 U3CONI;,,N 15LIU !
FUNCTION L14CONI 298.15 U4CONI;,,N 15LIU !
FUNCTION CONI3 298.15 +3*U1CONI;,,,N 15LIU !
FUNCTION CO2NI2 298.15 +4*U1CONI;,,,N 15LIU !
FUNCTION CO3NI 298.15 +3*U1CONI;,,,N 15LIU !
PARAMETER G(L12_FCC,NI:CO:VA;0) 298.15 +CONI3;,, N 15LIU !
PARAMETER G(L12_FCC,CO:NI:VA;0) 298.15 +CO3NI;,, N 15LIU !
PARAMETER L(L12_FCC,CO,NI:CO:VA;0) 298.15
-1.5*CONI3+1.5*CO2NI2+1.5*CO3NI;,,N 15LIU !
PARAMETER L(L12_FCC,CO,NI:NI:VA;0) 298.15
+1.5*CONI3+1.5*CO2NI2-1.5*CO3NI;,,N 15LIU !
PARAMETER L(L12_FCC,CO,NI:CO:VA;1) 298.15
+0.5*CONI3-1.5*CO2NI2+1.5*CO3NI;,,N 15LIU !
PARAMETER L(L12_FCC,CO,NI:NI:VA;1) 298.15
-1.5*CONI3+1.5*CO2NI2-0.5*CO3NI;,,N 15LIU !
PARAMETER L(L12_FCC,*:CO,NI:VA;0) 298.15 +L04CONI;,,N 15LIU !
PARAMETER L(L12_FCC,*:CO,NI:VA;1) 298.15 +L14CONI;,,N 15LIU !
PARAMETER L(L12_FCC,CO,NI:*:VA;0) 298.15 +3*L04CONI;,,N 15LIU !
PARAMETER L(L12_FCC,CO,NI:*:VA;1) 298.15 +3*L14CONI;,,N 15LIU !
$
$----------------------------------------------------------------------------
$
$ Cr-Ni
$ Mainly from SSOL
$ Metastable B2 and L12 from revision of Al-Cr-Ni
$
$ LIQUID PHASE
$
PARAMETER L(LIQUID,CR,NI;0) 298.15 +318-7.3318*T;,,N 91LEE !
PARAMETER L(LIQUID,CR,NI;1) 298.15 +16941-6.3696*T;,,N 91LEE !
$
$ FCC_A1 PHASE
$
PARAMETER G(FCC_A1,CR,NI:VA;0) 298.15 +8030-12.8801*T;,,N 91LEE !
PARAMETER G(FCC_A1,CR,NI:VA;1) 298.15 +33080-16.0362*T;,,N 91LEE !
PARAMETER TC(FCC_A1,CR,NI:VA;0) 298.15 -3605;,,N 86DIN !
PARAMETER BMAGN(FCC_A1,CR,NI:VA;0) 298.15 -1.91;,,N 86DIN !
$
$ BCC_A2 PHASE
$
PARAMETER G(BCC_A2,CR,NI:VA;0) 298.15 +17170-11.8199*T;,,N 91LEE !
PARAMETER G(BCC_A2,CR,NI:VA;1) 298.15 +34418-11.8577*T;,,N 91LEE !
PARAMETER TC(BCC_A2,CR,NI:VA;0) 298.15 2373;,,N 86DIN !
PARAMETER TC(BCC_A2,CR,NI:VA;1) 298.15 617;,,N 86DIN !
PARAMETER BMAGN(BCC_A2,CR,NI:VA;0) 298.15 4;,,N 86DIN !
$
$ BCC_B2 PHASE
$ metastable
$
$ Present work: july 1999, study of Al-Cr-Ni, revision of NDTH.
PARAMETER G(BCC_B2,CR:NI:VA;0) 298.15 4000;,,N 01DUP !
PARAMETER G(BCC_B2,NI:CR:VA;0) 298.15 4000;,,N 01DUP !
$
$ L12_FCC PHASE
$ metastable
$ Present work: july 1999, study of Al-Cr-Ni, revision of NDTH.
$ The L12 phase is metastable in the binary Cr-Ni while it was stable in NDTH.
FUN U1CRNI 298.15 -1980;,,,N 01DUP !
$ FUN U1CRNI 298.15 -7060+3.63*T;,,,N 01DUP !
FUN U3CRNI 298.15 0;,,,N 01DUP !
FUN U4CRNI 298.15 0;,,,N 01DUP !
FUNCTION L04CRNI 298.15 U3CRNI;,,N 01DUP !
FUNCTION L14CRNI 298.15 U4CRNI;,,N 01DUP !
FUNCTION CRNI3 298.15 +3*U1CRNI;,,,N 01DUP !
FUNCTION CR2NI2 298.15 +4*U1CRNI;,,,N 01DUP !
FUNCTION CR3NI 298.15 +3*U1CRNI;,,,N 01DUP !
PARAMETER G(L12_FCC,NI:CR:VA;0) 298.15 +CRNI3;,, N 01DUP !
PARAMETER G(L12_FCC,CR:NI:VA;0) 298.15 +CR3NI;,, N 01DUP !
PARAMETER L(L12_FCC,CR,NI:CR:VA;0) 298.15
-1.5*CRNI3+1.5*CR2NI2+1.5*CR3NI;,,N 01DUP !
PARAMETER L(L12_FCC,CR,NI:NI:VA;0) 298.15
+1.5*CRNI3+1.5*CR2NI2-1.5*CR3NI;,,N 01DUP !
PARAMETER L(L12_FCC,CR,NI:CR:VA;1) 298.15
+0.5*CRNI3-1.5*CR2NI2+1.5*CR3NI;,,N 01DUP !
PARAMETER L(L12_FCC,CR,NI:NI:VA;1) 298.15
-1.5*CRNI3+1.5*CR2NI2-0.5*CR3NI;,,N 01DUP !
PARAMETER L(L12_FCC,*:CR,NI:VA;0) 298.15 +L04CRNI;,,N 01DUP !
PARAMETER L(L12_FCC,*:CR,NI:VA;1) 298.15 +L14CRNI;,,N 01DUP !
PARAMETER L(L12_FCC,CR,NI:*:VA;0) 298.15 +3*L04CRNI;,,N 01DUP !
PARAMETER L(L12_FCC,CR,NI:*:VA;1) 298.15 +3*L14CRNI;,,N 01DUP !
$
$ SIGMA_SGTE PHASE
$ metastable
$ Modified by Ursula R. Kattner, NIST, Gaithersburg, MD, USA
PARAMETER G(SIGMA_SGTE,NI:CR:CR;0) 298.15
+221157-227*T+8*GHSERNI+18*GHSERCR+4*GHSERCR;,,N 88GUS1 !
PARAMETER G(SIGMA_SGTE,NI:NI:CR;0) 298.15
+175400+8*GHSERNI+18*GNIBCC+4*GHSERCR;,,N 88GUS1 !
$
$****************************************************************************
$
$ TERNARY PARAMETERS
$
$----------------------------------------------------------------------------
$
$ Al-Co-Cr
$ Mainly from the current work (2015)
$ Co-Cr from Kusoffsky used instead of Oikawa as energies
$ are shown to be better for sigma. Also produces a better
$ Co-Cr-Ni extrapolation
$
$ LIQUID PHASE