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August 22, 2022 22:38
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PyCalphad: Al-Zn finding eutectic point with fixed phases
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| $ ALZN | |
| $ | |
| $ TDB-file for the thermodynamic assessment of the Al-ZN system | |
| $ | |
| $------------------------------------------------------------------------------- | |
| $ 2011.11.9 | |
| $ | |
| $ TDB file created by T.Abe, K.Hashimoto and Y.sawada | |
| $ | |
| $ Particle Simulation and Thermodynamics Group, National Institute for | |
| $ Materials Science. 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan | |
| $ e-mail: [email protected] | |
| $ Copyright (C) NIMS 2009 | |
| $ | |
| $ ------------------------------------------------------------------------------ | |
| $ PARAMETERS ARE TAKEN FROM | |
| $ Reevaluation of the Al-Zn System, | |
| $ Sabine an Mey, Z.Metallkd., 84 (1993) 451-455. | |
| $ | |
| $ ------------------------------------------------------------------------------ | |
| 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 AL FCC_A1 2.6982E+01 4.5773E+03 2.8322E+01! | |
| ELEMENT ZN HCP_ZN 6.5390E+01 5.6568E+03 4.1631E+01! | |
| $------------------------------------------------------------------------------- | |
| $ FUNCTIONS FOR PURE AND OTHERS | |
| $------------------------------------------------------------------------------- | |
| FUNCTION GHSERAL 298.0 | |
| -7976.15+137.0715*T-24.36720*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3 | |
| +74092*T**(-1); 700.00 Y | |
| -11276.24+223.0269*T-38.58443*T*LN(T)+18.531982E-3*T**2-5.764227E-6*T**3 | |
| +74092*T**(-1); 933.6 Y | |
| -11277.68+188.6620*T-31.74819*T*LN(T)-1234.26E25*T**(-9); 2900.00 N ! | |
| FUNCTION GALLIQ 298.0 | |
| +3029.403+125.2307*T-24.36720*T*LN(T)-1.884662E-3*T**2-0.877664E-6*T**3 | |
| +74092*T**(-1)+79.401E-21*T**7; 700.00 Y | |
| -270.6860+211.1861*T-38.58443*T*LN(T)+18.53198E-3*T**2-5.764227E-6*T**3 | |
| +74092*T**(-1)+79.401E-21*T**7; 933.6 Y | |
| -795.7090+177.4100*T-31.74819*T*LN(T); 2900.00 N ! | |
| FUNCTION GALHCP 298.0 +5481-1.8*T+GHSERAL#; 6000 N ! | |
| FUNCTION GHSERZN 298.0 -7285.787+118.4693*T-23.70131*T*LN(T) | |
| -.001712034*T**2-1.264963E-06*T**3; 692.7 Y | |
| -11070.60+172.3449*T-31.38*T*LN(T)+4.70657E+26*T**(-9); 1700 N ! | |
| $FUNCTION GZNLIQ 298.0 -1.285170+108.1769*T-23.70131*T*LN(T) | |
| $ -.001712034*T**2-1.264963E-06*T**3-3.585652E-19*T**7; 692.7 Y | |
| $ -11070.60+172.3449*T-31.38*T*LN(T)+4.70657E+26*T**(-9); 1700 N ! | |
| FUNCTION GZNLIQ 298.14 +7157.213-10.29299*T-3.5896E-19*T**7+GHSERZN#; | |
| 692.7 Y | |
| +7450.168-10.737066*T-4.7051E+26*T**(-9)+GHSERZN#; 1700 N ! | |
| FUNCTION GZNFCC 298.15 +2969.82-1.56968*T+GHSERZN#; 1700 N ! | |
| $------------------------------------------------------------------------------- | |
| TYPE_DEFINITION % SEQ *! | |
| DEFINE_SYSTEM_DEFAULT ELEMENT 2 ! | |
| DEFAULT_COMMAND DEF_SYS_ELEMENT VA /- ! | |
| $------------------------------------------------------------------------------- | |
| $ PARAMETERS FOR LIQUID PHASE | |
| $------------------------------------------------------------------------------- | |
| PHASE LIQUID % 1 1.0 ! | |
| CONSTITUENT LIQUID :AL,ZN : ! | |
| PARAMETER G(LIQUID,AL;0) 298.15 +GALLIQ#; 2900 N ! | |
| PARAMETER G(LIQUID,ZN;0) 298.15 +GZNLIQ#; 1700 N ! | |
| PARAMETER G(LIQUID,AL,ZN;0) 298.15 +10465.5-3.39259*T; 6000 N ! | |
| $------------------------------------------------------------------------------- | |
| $ FUNCTIONS FOR FCC_A1 | |
| $------------------------------------------------------------------------------- | |
| PHASE FCC_A1 % 1 1.0 ! | |
| CONSTITUENT FCC_A1 :AL,ZN : ! | |
| PARAMETER G(FCC_A1,AL;0) 298.15 +GHSERAL#; 2900 N ! | |
| PARAMETER G(FCC_A1,ZN;0) 298.15 +GZNFCC#; 1700 N ! | |
| PARAMETER G(FCC_A1,AL,ZN;0) 298.15 +7297.5+0.47512*T; 6000 N ! | |
| PARAMETER G(FCC_A1,AL,ZN;1) 298.15 +6612.9-4.5911*T; 6000 N ! | |
| PARAMETER G(FCC_A1,AL,ZN;2) 298.15 -3097.2+3.30635*T; 6000 N ! | |
| $------------------------------------------------------------------------------- | |
| $ FUNCTIONS FOR HCP_A3 | |
| $------------------------------------------------------------------------------- | |
| PHASE HCP_A3 % 1 1.0 ! | |
| CONSTITUENT HCP_A3 :AL,ZN : ! | |
| PARAMETER G(HCP_A3,AL;0) 298.15 +GALHCP#; 2900 N ! | |
| PARAMETER G(HCP_A3,ZN;0) 298.15 +GHSERZN#; 1700 N ! | |
| PARAMETER G(HCP_A3,AL,ZN;0) 298.15 +18821.0-8.95255*T; 6000 N ! | |
| PARAMETER G(HCP_A3,AL,ZN;3) 298.15 -702.8; 6000 N ! | |
| $ | |
| $------------------------------------------------------------------- END OF LINE | |
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