TCNI7 - Thermo-Calc Software

TCNI7
TCNI7 - TCS Ni-based Superalloys Database, Version 7.1
TCNI7 is a thermodynamic database for different kinds of Ni-based superalloys for use with the
Thermo-Calc, DICTRA and TC-PRISMA software packages. Developed using the CALPHAD
approach with industry input and support, TCNI7 is based on the critical evaluation of binary, ternary
and in some cases higher order systems which enables predictions to be made for multicomponent
systems and alloys of industrial importance. The database has also been validated where possible
against higher order systems as well. In version 7 (TCNI7), all necessary volume data (including molar
volume and thermal expansion) for various alloy phases have been incorporated, which allows for the
calculation of volume fraction of phases, as well as density, thermal expansivity and lattice
parameters, e.g. misfits between γ and γ’, using Thermo-Calc. However, it should be noted that the
molar volume data incorporated just provide rough estimation and has no pressure dependence.
The TCNI7 database also contains an extensive GAS mixture phase for the main purpose of
considering oxygen/nitrogen-gas controls in alloy making processes, and different gas
atmospheres under e.g. heat treatments. Note that argon, Ar, and hydrogen, H, are included in the
gas phase only, and there is no solid solubility or condensed phase compounds with these
elements included in the TCNI7 database.
In total, TCNI7 includes critically assessed thermodynamic descriptions for 26 elements and 433
phases. Most of the binary systems in this database have been assessed and can be calculated
with the BINARY Module in Thermo-Calc. TCNI7 also contains many assessed ternary systems,
at least those being in equilibrium with γ and γ’ phase, and can be calculated with the
TERNARY Module in Thermo-Calc.

Elements included: Al. Ar, B, C, Co, Cr, Fe, H, Hf, Mn, Mo, N, Nb, Ni, O, Pd, Pt, Re,Ru,
Si, Ta, Ti, V, W, Y, Zr.

Ordered and disordered bcc (A2 and B2/) and fcc (A1 and L12/γ´) phases are modeled
with a two sub-lattice model using a single Gibbs energy curve which enables
order/disorder transformations to be modeled.

All possible binary systems and most Ni-containing ternary systems have been assessed to
the full range of composition.

TCP phases are modeled using more complex and physically correct models, which gives
the ability to correctly predict site-fractions etc.

Oxygen has been implemented in an ambitious way using the Compound Energy
Formalism (CEF)1 for the solution phases, e.g. spinel, halite, corundum etc., and the ionic
two-sublattice model2-3 for the metallic and ionized liquid.

Molar volume data critically assessed for most phases of importance to Ni-based
Superalloys.
Only the phases of interest for superalloys are defined by default, which means that when
retrieving the data from the database other phases will automatically be rejected and would need
to be manually restored by the user if these are required for a calculation. The complete
description of all the binary systems and many ternary systems are available using the BINARY
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and TERNARY modules. Note that there are several possible composition sets for the phases
named FCC_L12 and BCC_B2; they are either disordered (A1/carbonitride and A2) or ordered
(L12 (γ’) and B2 ()).
The complete list of phases is given at the end of this document. First there is a list of all phases
defined by default and then a detailed description of all phases, e.g. number of sub lattices and
elements on each sub lattice and if available also structure, Pearson symbol and Structur Bericht.
Major Updates from TCNI6.0 to TCNI7.0
The major update to TCNI7.0 is the addition of Manganese, Mn. In total 23 binary systems and
19 ternary systems have been added to the database and can easily be calculated using the
BINARY/TERNARY module in CLASSICAL MODE or by using the BINARY/TERNARY
CALCULATION template in GRAPHICAL MODE using Thermo-Calc 3.0.
The following binary systems have been added to TCNI7: Al-Mn, B-Mn, C-Mn, Co-Mn, Cr-Mn,
Fe-Mn, Hf-Mn, Mn-Mo, Mn-N, Mn-Nb, Mn-Ni, Mn-O, Mn-Pd, Mn-Pt, Mn-Re, Mn-Ru, Mn-Si,
Mn-Ta, Mn-Ti, Mn-V, Mn-W, Mn-Y, Mn-Zr.
The following ternary systems have been added: Al-Fe-Mn, Al-Mn-Ni, Al-Mn-O, Al-Mn-Si, AlMn-Ti, C-Fe-Mn, C-Mn-V, Co-Mn-O, Cr-Mn-N, Cr-Mn-O, Fe-Mn-N, Fe-Mn-Ni, Fe-Mn-O, FeMn-Si, Mn-Ni-O, Mn-Ni-Si, Mn-O-Si, Mn-O-Y, Mn-O-Zr.
Minor corrections e.g. the reappearence of phases above liquidus has been fixed for systems CFe, C-Mn, C-Mo, C-Ni, and Mo-Ni.
Major Updates from TCNI7.0 to TCNI7.1
1.
2.
3.
4.
5.
6.
By default, liquid containing no oxygen is now modeled with ordinary
substitutional solution model. When oxygen is included the Ionic Liquid model will
be used for the liquid phase. This change gives better performance for alloys where
oxygen needs not to be considered.
The description for the M6C carbide in the C-Cr-Ni-Mo and C-Cr-Ni-W systems has
been improved. The stability of M6C was underestimated, resulting in that M23C6
was predicted as primary carbide instead of M6C for some commercial alloys. This
has now been fixed.
The description of the Cr-Ni-B system has been improved. The NI3B_D011 phase
was too stable and resulted in wrong equilibrium with liquid. This has now been
fixed.
Constraint relations for parameters describing FCC_L12 phase have been added for
ternary and quaternary systems containing newly introduced elements Y or/and
Mn. This will increase the stability of calculations.
An error concerning volume data for systems containing Fe has been fixed.
Many other small corrections.
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TCNI7
Assessed binary systems in full range of composition and temperature.
Al
B
C
Co
Cr
Fe
Hf
Mn
Mo
N
Nb
Ni
O
Pd
Pt
Re
Ru
Si
Ta
Ti
V
W
Y
Zr
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
B
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
C
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
Co
Cr
Fe
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
Hf
Mn
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
Thermo-Calc Software AB
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x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
Mo
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
N
x
x
x
x
x
x
x
x
x
Nb
Ni
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
O
x
x
x
x
x
x
x
x
x
x
x
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Pd
Pt
Re
Ru
Si
Ta
Ti
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
x
Org.No: 556540-6138
VAT No: SE556540613801
V
x
x
x
W
x
x
Y
x
TCNI7
Assessed ternary systems in full range of composition and temperature.
Al-B-Co Al-B-Cr Al-B-Hf Al-B-Mo Al-B-Ni Al-B-Re Al-B-Ti Al-B-Zr Al-C-Cr Al-C-Hf
Al-C-Mo Al-C-Ni Al-C-Ta Al-C-Ti Al-C-W Al-C-Zr Al-Co-Cr Al-Co-Fe Al-Co-Hf
Al-Co-Mo Al-Co-Ni Al-Co-O Al-Co-Ta Al-Co-Ti Al-Co-W Al-Co-Zr Al-Cr-Hf Al-Cr-Ni
Al-Cr-O Al-Cr-Pt Al-Cr-Ta Al-Cr-Ti Al-Cr-Zr Al-Fe-Mn Al-Fe-Mo Al-Fe-Ni Al-Fe-O
Al-Fe-Ti Al-Hf-Mo Al-Hf-Ni Al-Hf-O Al-Hf-Re Al-Hf-Ta Al-Hf-Ti Al-Hf-W Al-Hf-Zr
Al-Mn-Ni Al-Mn-O Al-Mn-Si Al-Mn-Ti Al-Mo-Ni Al-Mo-Re Al-Nb-Ni Al-Nb-O Al-Nb-Si
Al-Ni-O Al-Ni-Pd Al-Ni-Pt Al-Ni-Re Al-Ni-Ru Al-Ni-Si Al-Ni-Ta Al-Ni-Ti Al-Ni-V
Al-Ni-W Al-Ni-Zr Al-O-Si Al-O-Ti Al-O-Y Al-O-Zr Al-Ru-Ti Al-Ta-Ti B-Co-Cr B-Co-Hf
B-Co-Mo B-Co-Ni B-Co-Re B-Co-Ta B-Co-Ti B-Co-W B-Cr-Ni B-Cr-Re B-Fe-Nb
B-Hf-Nb B-Hf-Ni B-Hf-Re B-Hf-Ta B-Mo-Nb B-Mo-Ni B-Mo-Re B-Nb-Re B-Ni-Re
B-Ni-Ta B-Re-Ta B-Re-Ti B-Re-W B-Re-Zr C-Co-Cr C-Co-Mo C-Co-Ti C-Co-W
C-Co-Zr C-Cr-Hf C-Cr-Mo C-Cr-Ni C-Cr-Re C-Cr-Ta C-Cr-Ti C-Cr-W C-Cr-Zr C-Fe-Mn
C-Fe-O C-Hf-Mo C-Hf-Ni C-Hf-Re C-Hf-Ta C-Hf-Ti C-Hf-W C-Hf-Zr C-Mo-Ni
C-Mo-Ta C-Mo-Ti C-Mo-W C-Mo-Zr C-N-Ta C-Nb-Re C-Nb-W C-Ni-Ti C-Ni-W
C-Ni-Zr C-Re-Ta C-Re-W C-Ta-Ti C-Ta-W C-Ta-Zr C-Ti-W C-Ti-Zr C-W-Zr Co-Cr-Mo
Co-Cr-Nb Co-Cr-Ni Co-Cr-O Co-Cr-Re Co-Cr-Ti Co-Cr-W Co-Fe-Nb Co-Fe-O Co-Fe-Ti
Co-Hf-W Co-Mn-O Co-Mo-Ta Co-Mo-W Co-Ni-O Co-Ni-Re Co-Ni-Ru Co-Ni-Ta
Co-Ni-W Co-O-Si Co-O-W Co-Re-W Co-Ta-W Co-Ti-W Co-Ti-Zr Co-W-Zr Cr-Fe-Mo
Cr-Fe-N Cr-Fe-Ni Cr-Fe-O Cr-Fe-Si Cr-Fe-W Cr-Hf-Nb Cr-Mn-N Cr-Mn-O Cr-Mo-Ni
Cr-Nb-Ni Cr-Nb-Si Cr-Ni-O Cr-Ni-Re Cr-Ni-Ru Cr-Ni-Si Cr-Ni-Ta Cr-Ni-Ti Cr-Ni-W
Cr-Ni-Zr Cr-O-Si Cr-O-Y Cr-O-Zr Cr-W-Zr Fe-Mn-N Fe-Mn-Ni Fe-Mn-O Fe-Mn-Si
Fe-Mo-Ni Fe-Mo-W Fe-Nb-Ni Fe-Nb-Zr Fe-Ni-O Fe-Ni-W Fe-O-Si Fe-O-W Fe-O-Y
Fe-O-Zr Hf-Mo-Ni Hf-Nb-Si Hf-Ni-Ta Hf-O-Si Mn-Ni-O Mn-O-Si Mn-O-W Mn-O-Y
Mn-O-Zr Mo-Nb-Ni Mo-Ni-O Mo-Ni-Re Mo-Ni-Ta Mo-Ni-Ti Mo-Ni-W Mo-Re-Ta
Nb-Ni-Ti Nb-Ni-W Nb-O-Si Nb-Re-Ta Nb-Re-W Ni-O-Si Ni-O-W Ni-O-Y Ni-O-Zr
Ni-Re-Ta Ni-Re-Ti
Ni-Re-W Ni-Re-Zr Ni-Ru-Ti Ni-Ta-W Ni-W-Zr O-Si-Ti O-Si-Y
O-Si-Zr O-Y-Zr Re-Ta-W Re-Ta-Zr Re-W-Zr Ta-W-Zr Ti-W-Zr
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Example Calculations using TCNI7
Figure 1. Phase diagrams calculated for Al-Fe[4] and Al-Ni[5].
Figure 2. Isothermal sections of Al-Cr-Ni[6] and Ni-Re-W[7] calculated at 1273 K.
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Figure 3. Isothermal sections of Co-Cr-Mo[8] and Mo-Ni-Re[9] calculated at 1273 K.
Figure 4. Section ZrO2-Y2O3 compared with experimental information [10-12]
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Figure 5. Predicted amount of phases (metastable calculation) at varying temperatures for
a Ni-18Cr-18Fe-3Mo-0.5Al-1Ti-5.3Nb-0.02C (wt. %) alloy. Experimental γ’’
(BCT_D022) solvus temperature[14] is close to 900 ºC and the γ’+γ’’ fraction is between
15-20 %.
Figure 6. Predicted amount of phases at varying temperatures for a Ni-18Cr-10Fe-9Co2.8Mo-1.5Al-0.7Ti-5.3Nb-0.02C (wt. %) alloy. Experimental γ’ solvus temperature[15] is
close to 950 ºC and delta (NI3TA_D0A) solvus close to 1010 ºC. The delta phase fraction
was measured around 8 % and γ’ fraction around 20% at 760 ºC after 500 hr heat
treatment.
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Figure 7. Predicted amount of phases at varying temperatures for a Ni-11.5Cr-15.5Co6.5Mo-4.3Al-4.3Ti-0.5Hf (wt. %) alloy. Experimental γ’ solvus temperature[16] is close to
1150 ºC and both σ and μ phases were observed at 760 ºC after 1000 hr heat treatment.
Table 1. Predicted compositions of γ and γ’ as well as the fraction in two Ni-base alloys
compared with measurements (in brackets) from Sudbrack et al.[17]
at.%
Ni
Al
Cr
W
Ni-9.8Al-8.3Cr
γ
82.9 (82.7) 8.51 (8.43)
8.61 (8.86)
-
Ni-9.8Al-8.3Cr
γ’ 76.7 (76.6) 16.7 (17.4)
6.63 (5.99)
-
Ni-9.7Al-8.5Cr-2W γ
81.4 (81.8) 6.75 (6.23)
9.51 (10.48) 2.35 (1.54)
Ni-9.7Al-8.5Cr-2W γ’
76.2 (76.2) 16.4 (16.9)
6.19 (3.94)
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Experimental γ’
fraction
Predicted γ’
fraction
18.9
15.8
30.8
30.5
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TCNI7
Figure 8. Predicted densities of liquid Ni-Cr-Al-Mo alloys where the molar ratio of
Ni:Cr:Al is close to the average value for commercial superalloys INCO713, CM247LC
and CMSX-4. Symbols are the experimental values from Fang et al.[18]
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Figure 9. Predicted lattice parameters of disordered FCC of Inconel-600 at varying
temperatures compared to X-ray diffraction values by Raju et al.[19] At low temperature
the calculation gives, besides the disordered FCC, also an ordered L12 phase, which
causes the kink in the curve.
Figure 10. Predicted γ/γ’ lattice mismatch of a Ni-0.6Mo-0.92Ta-12.5Al-1.83Ti-10.5Cr3.3W (at. %) compared to an experimental determination by Nathal et al.[20]
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Acknowledgement
Dr Nathalie Dupin and Prof Bo Sundman are acknowledged for many valuable discussions and
important contributions.
References
1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
20.
M. Hillert: J. of Alloys and Compounds, 320 (2001) 161-176.
M. Hillert, B. Jansson, B. Sundman and J. Ågren: Met. Mat. Trans. A, 16A (1985) 261-266.
B. Sundman: Calphad, 15 (1991) 109-119.
M Seiersten, Sintef report STF28F93051 (1993).
N. Dupin, Private communication, unpublished work.
N. Dupin, Thesis, LTPCM, France, 1995.
I. Ansara, N. Dupin, H.L. Lukas, B. Sundman: J. Alloys Compds, 247 (1-2) (1997) 20-30.
N. Dupin, Private communication, unpublished work.
N. Dupin, Private communication, unpublished work.
N. Dupin, Private communication, unpublished work.
N. Dupin, Private communication, unpublished work.
T. Noguchi, M Mizuno, T. Yamada, Bull. Chem. Soc. Jpn. 43 (1970) 2614.
V.S. Stubicam, R.C. Hink. S.P. Ray, J. Am. Ceram. Soc. 61 (1978) 17.
A. Rouanet, C. R. Acad. Sci., Ser. C 267 (1968) 1581.
C. Y. Cui, Y. F. Gu, D. H. Ping and H. Harada: Met. Mat. Trans. A, 40 (2009) 282-291.
Experimental Data (various sources).
Experimental Data Superalloys (2007).
S. T. Wlodek, M. Kelly and D. Alden: Superalloys, (1992) 467-476.
C. K. Sudbrack, T. D. Ziebell, R. D. Noebe and D. N. Seidman, Acta Materialia, 56 (2008) 448-463.
L. Fang, Y. Wang, F. Xiao, Z. Tao, K. Mukai, Mater. Sci. Eng. B 132 (2006) 164-169.
S. Raju, K. Sivasubramanian, R. Divakar, G. Panneerselvam, A. Banerjee and M. Antony, J. Nucl.
Mater. 325 (2004) 18-25.
M. Nathal, R. Mackay and R. Garlick: Mater. Sci. Eng. 75 (1985) 195-205.
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List of phases included in TCNI7.
Table 2. List of phases defined by default
LIQUID
BCC_A2
CBCC_A12
BETA_RHOMBO_B
NI3TA_D0A
DIS_MU
SIGMA
CHI_A12
M23C6
M3C2
TAU
M3B2
NI3B_D011
HALITE:I
GAS
FCC_A1
BCC_B2
CUB_A13
GRAPHITE
BCT_D022
MU_PHASE
R_PHASE
MC_ETA
CEMENTITE
M6C
MB_B33
M2B_TETR
D5A_M3B2
CORUNDUM:I
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FCC_L12
HCP_A3
DIAMOND_A4
NI3TI_D024
C14_LAVES
DIS_SIG
P_PHASE
MC_SHP
M12C
M7C3
MB2_C32
G_PHASE
Z_PHASE
SPINEL
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Table 3. List of all phases in TCNI7 and the thermodynamic model used to describe the phase.
Prototype, Pearson symbol and Structur Bericht are given if available. Phases in gray are suspended
by default.
Name
Prototype
S. Bericht.
Pearson
Thermodynamic model
AF
(Al2O3) (Fe2O3)
AL10V
cF116
(Al)10 (V)
AL11CR2
Al5Cr
mP48
(Al)10 (Al) (Cr)2
AL11RE4
Al11Mn4
aP15
(Al)11 (Re)4
AL11TI5
(Al)17 (Ti)8
AL12W
Al12W
cI26
(Al)12 (Mo,Re,W)
AL13CO4
Al13Co4
AL13CR2
Al45V7
mC10
4
(Al) (Cr)2
AL13FE4
Al13Fe4
mS10
2
(Al)0.6275 (Fe,Mn,Ru)0.235 (Al,Si,VA)0.1375
(Al)13 (Co)4
AL2FE
(Al)2 (Fe,Mn)
AL21PD8
Al3Ni2
hP5
D519
(Al)21 (Pd)8
AL21PT5
(Al)0.8077 (Pt)0.1923
AL21PT8
AL23V4
Al23V4
tI116
(Al)0.7241 (Pt)0.2759
hP54
(Al)23 (V)4
AL2N2TI3
(Al)2 (N)2 (Ti)3
AL2O3_TIO2
(Al2TiO5)
AL2PD5
Ga2Pd5
oP28
AL2PT
CaF2
cF12
AL2TI
Ga2Hf
tI24
(Al)2 (Al,Pd)5
C1
(Al)0.66667 (Pt)0.33333
(Al)2 (Ti)
AL2W
AL2ZR3
(Al)2 (W)
Al2Zr3
tP20
(Al)2 (Hf,Y,Zr)3
AL3CO
(Al)3 (Co)
AL3NI1
Fe3C
oP16
D011
(Al)0.75 (Ni)0.25
AL3NI2
Al3Ni2
hP5
D519
(Al,Si)3 (Al,Ni,Pt,Ru)2 (Ni,Ru,VA)
AL3NI5
Pt5Ga3
oS16
(Al)0.375 (Ni)0.625
AL3PD
(Al)3 (Pd)
AL3PD2
(Al,Pd)3 (Al,Pd)2
AL3PD5
Ge3Rh5
AL3PT2
AL3PT5
Ge3Rh5
oP16
(Al)3 (Pd)5
hP5
(Al)0.6 (Pt)0.4
oP16
(Al)0.375 (Pt)0.625
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AL3Y_HT
BaY3
hR36
(Al)3 (Y)
AL3Y_LT
Mg3Cd
hP8
(Al)3 (Y)
AL3ZR
Al3Zr
tI16
AL3ZR2
Al3Zr2
oF40
(Al)3 (Hf,Zr)2
AL3ZR4
Al3Zr4
hP7
(Al)3 (Hf,Zr)4
AL3ZR5
Si3W5
tP32
D8m
(Al)3 (Zr)5
AL4C3
Al4Cr3
hR7
D71
(Al,Si)4 (C)3
AL4CR
D023
Mn55Al226.58 hP574
AL4PD
Al4Pt
AL4RE
(Al)3 (Hf,Zr)
(Al)4 (Cr)
hP*
(Al)4 (Pd)
aP40
(Al)4 (Re)
AL4SIC4
(Al)4 (Si) (C)4
AL4W
Al4W
mC30
(Al)4 (Mo,W)
AL4ZR5
Ga4Ti5
hP18
(Al)4 (Zr)5
AL5CO2_D811
Al5Co2
hP28
D811
(Al)5 (Co)2
AL5FE2
(Al)5 (Fe,Mn)2
AL5FE4
(Al,Fe)
AL5W
Al5W
hP12
(Al)5 (Mo,W)
AL63MO37
AL6MN
(Al)63 (Mo)37
MnAl6
oS28
(Al)6 (Mn,Re,Ru)
AL77W23
(Al)77 (W)23
AL7V
(Al)7 (V)
AL7W3
(Al)7 (W)3
AL8CR5_H
Cu5Zn8
cI52
AL8CR5_L
Al8Cr5
hR26
AL8MO3
Al8Cr5
mS22
(Al)8 (Cr)5
D810
(Al)8 (Cr)5
(Al)8 (Mo)3
AL8SIC7
(Al)8 (Si) (C)7
AL8V5
(Al)8 (V)5
AL9CO2
Al9Co2
mP22
(Al)9 (Co)2
AL9CR4_H
(Al)9 (Cr)4
AL9CR4_L
Al9Cr4
cI52
(Al)9 (Cr)4
ALB12_ALPHA
AlB12-α
tP213
(Al) (B)12
ALBMO
BCU
oC12
(Al) (B) (Mo)
ALCCR2
AlCCr2
hP8
(Al) (C) (Cr)2
ALCR2
MoSi2
tI6
(Al) (Cr)2
ALCR2B2
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
(Al) (Cr)2 (B)2
[email protected]
Phone: +46 8 545 959 30
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
ALCR3B4
Cr3AlB4
oP8
(Al) (Cr)3B4
AL10FEMN2
(Fe,Mn)3 (Al)10
AL13FE2MN2
(Fe,Mn)4 (Al)13
AL16FEMN3
(Al)4 (Fe,Mn)1
ALFESI_ALPHA
(Al)0.6612 (Fe)0.19 (Si)0.0496 (Al,Si)0.0992
ALFESI_BETA
(Al)14 (Fe)3 (Si)3
ALFESI_DELTA
(Al)0.55 (Fe)0.15 (Si)0.3
ALFESI_GAMMA
(Al)3 (Fe) (Si)
ALFESI_TAU1
(Al)2 (Fe)2 (Si)
ALFESI_TAU3
(Al)2 (Fe) (Si)
ALM3C_E21
CaTiO3
cP5
E21
(Al) (Co,Fe)3 (C)
AL4MN_R
(Al)461 (Fe,Mn)107
AL4MN_U
(Al)4 (Mn)1
AL6MN
(Al)6 (Mn,Re,Ru)1
AL8MN5
(Al,Ti)12 (Mn)5 (Al,Mn,Si,Ti)9
AL11MN4_HT
(Al,Mn)29 (Mn)10
AL11MN4_LT
(Al)11 (Fe,Mn)4
AL12MN
(Al)12 (Mn)1
AL31MN6NI2
(Al)31 (Mn)6 (Ni)2
ALMNSI_T6
(Al,Mn)4 (Si)1
ALMNSI_T8
(Mn,Va)6 (Mn,Va)2 (Al)12 (Al,Si)6 (Al,Si)2
AL1MN1SI1
(Al)1 (Mn)1 (Si)1
AL2MNSI3
(Al)2 (Mn)1 (Si)3
AL2MN2SI3
(Al)2 (Mn)2 (Si)3
AL3MNSI2
(Al)3 (Mn)1 (Si)2
AL3MN4SI2
(Al)3 (Mn)4 (Si)2
AL5MN6SI7
(Al)5 (Mn)6 (Si)7
ALMO
W
cI2
ALNTI2
AlCCr2
hP8
ALNTI3
CaTiO3
cP5
A2
(Al,Mo) (Al,Mo)
(Al) (N) (Ti)2
E21
(Al) (N) (Ti)3
ALN_B4
(Al) (N)
ALPD2
Co2Si
oP12
C23
(Al,Ni,Pd) (Al,Ni,Pd)2
ALPHA_B19
AuCd
oP4
B19
(Nb,Pd,Pt,Ti,V,Zr) (Nb,Pd,Pt,Ti,V,Zr)
ALPHA_PD2SI
(Pd,Si)2 (Si)
ALPHA_PT17SI
8
(Pt)17 (Si)8
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
[email protected]
Phone: +46 8 545 959 30
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
ALPHA_PT2SI
ThH2
tI6
ALPHA_PT3SI
GePt3
mC16
L'2b
(Pt)2 (Si)
(Pt)3 (Si)
(Co+2,Mn+2,Mn+3,Ni+2)1 (Al+3,Cr+3,Fe+3,
Mn+2,Mn+3,VA)2 (Mn+2,VA)2 (O-2)4
ALPHA_SPINEL
ALPT
FeSi
cP8
B20
(Al)0.5 (Pt)0.5
ALPT2
PbCl2
oP12
C23
(Al)0.33333 (Pt)0.66667
ALRE
(Al) (Re)
ALRE2
CuZr2
tI6
(Al) (Re)2
AL15SI2M4
(Al)14 (Fe,Mn)4 (Al,Si)5
ALTI3_D019
Ni3Sn
hP8
D019
(Al,Co,Cr,Mn,Mo,Ni,Pt,Ta,Ti,W)3
(Al,Cr,Mo,Nb,Ni,Pt,Ta,Ti,W)
ALTI_L10
AuCu
tP2
L10
(Al,Cr,Mn,Mo,Ta,Ti,W) (Al,Cr,Mn,Mo,Ta,Ti,W)
ALZR
TlI
oS8
ALZR2
Ni2In
hP6
(Al) (Hf,Y,Zr)
B82
(Al) (Y,Zr)2
(Al+3) (Al+3) (Si+4) (O-2)5
ANDALUSITE
B11
γ-CuTi
tP4
B11
(Pd) (Ta)
B12ZR
UB12
cF52
D2f
(B)12 (Y, Zr)
B2O3
(B2O3)
B2PD5
Mn5C2
mC28
(B)2 (Pd)5
B2PT3
(B)2 (Pt)3
B3SI
B4C
hR15
D1g
(B)6 (Si)2 (B,Si)6
B4C
B4C
hR15
D1g
(B11C,B12) (B2,C2B,CB2)
B4TA3_D7B
Ta3B4
oI14
D7b
(B)4 (Cr,Hf,Mn,Nb,Ta,Ti,V)3
B5W2_X
Mo2B5
hR21
D8i
(B,C,VA)5 (W)2
B6SI
B6Si
oP280
(B)210 (Si)23 (B,Si)48
B9W2
BW4
hP20
(B)9 (W)2
BCC_A2
W
cI2
A2
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr,VA) (B,C,N,O,VA)3
This phase appears only when the user has rejected its ordering contribution BCC_B2.
BCC_B2
W
cI2
A2
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr,VA)0.5
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr,VA)0.5 (B,C,N,O,VA)3
The non-configurational contribution, BCC_A2, should not be rejected when this phase is
kept.
BCC_B2#2
CsCl
cP2
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
B2
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr,VA)0.5
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr,VA)0.5 (B,C,N,O,VA)3
[email protected]
Phone: +46 8 545 959 30
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
The non-configurational contribution, BCC_A2, should not be rejected when this phase is
kept.
BCT_D022
Al3Ti
tI8
D022
(Al,Cr,Fe,Mo,Ni,Pd,Pt,Ti,V)3
(Al,Cr,Mo,Nb,Ni,Pd,Pt,Ta,Ti,V,Si)
γ'', Al3Nb, Al3Ta, Al3Ti, Al3V, Ni3V
BETA_PD2SI
Fe2P
hP9
C22
(Pd,Si)2 (Si)
BETA_PT17SI8
(Pt)17 (Si)8
BETA_PT2SI
Fe2P
hP9
C22
(Pt)2 (Si)
BETA_PT3SI
Fe3C
oP16
D011
(Pt)3 (Si)
BETA_RHOMBO
_B
B
hR105
BM
FeB-β
oP8
BNSI
B
hR12
BN_B4
ZnS
hP4
B4
(B) (N)
BPD3
Fe3C
oP16
D011
(B) (Pd)3
(B)93 (B,C,Si)12
B27
(B,Pt) (Cr,Fe,Hf,Mn,Mo,Ti,Y)
(B)61 (Si) (B,Si)8
BPD5
(B) (Pd)5
BPD6
(B) (Pd)6
BPT2
MoS2
hP6
C7
(B) (Pt)2
BPT3
(B) (Pt)3
BW_ALPHA
MoB
tI16
Bg
(B,C,VA) (W)
BW_BETA
BCr
oC8
B33
(B,C,VA) (W)
C14_LAVES
MgZn2
hP12
C14
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,W,
Y,Zr)2
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,W,
Y,Zr)
Al2Hf, Al2Zr, Co2Ta, Cr2Hf, Cr2Ta, Cr2Ti, Cr2Zr, Re2Hf,Re2Y, Re2Zr
C15_LAVES
MgCu2
cF8
C15
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,V,
W,Y,Zr)2
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,V,
W,Y,Zr)
C16_THETA
CuAl2
tI12
C16
(Hf,Mo,Nb,Ta,Ti,W,Zr)2 (Al,Co,Cr,Fe,Ni,Si)
C36_LAVES
MgNi2
hP24
C36
(Al,Co,Cr,Fe,Hf,Mo,Nb,Ni,Ta,Ti,W,Zr)2
(Al,Co,Cr,Fe,Hf,Mo,Nb,Ni,Ta,Ti,W,Zr)
CBCC_A12
Mn
cI58
A12
(Al,Co,Cr,Fe,Mn,Mo,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V)1
(C,VA)1
CEMENTITE
Fe3C
oP16
D011
(Co,Cr,Fe,Mn,Mo,Ni,V,W)3 (C,N)
CFC2_FENBZR
CHI_A12
(Fe,Nb,Zr)2 (Nb,Zr) (Nb,Zr)3
α-Mn
cI58
A12
(Cr,Fe,Ni,Re)24 (Al,Cr,Hf,Mo,Nb,Ta,Ti,W,Zr)10
(Cr,Fe,Mo,Nb,Ni,Re,Ta,W)24
Hf5Re24, Mo2Re8, Ta3Re7, Ti5Re24, WRe3, Zr5Re24
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
CO11ZR2
oP*
(Co)11 (Zr)2
(Co)17 (Y)2
CO17Y2
Zn17Th2
hR57
CO2SI_C23
Co2Si-α
oP12
C23
(Co,Cr,Fe,Ni,Ti)2 (Si)
CO3AL2B5
(Co)3 (Al)2 (B)5
CO3SI
(Co)3 (Si)
CO3V
(Co,V)3 (Co,V)
CO3Y2
cP*
(Co)3 (Y)2
CO3Y4
Ho6Co4.5
hP22
(Co)3 (Y)4
CO3Y
CaCu3
hP6
(Co)3 (Y)
CO5Y8
Co5Y8
mP52
(Co)5 (Y)8
CO5Y_D2D
CaCu5
hP6
(Co2 Y) (Co)4 (Co VA)
CO7HF
tP32
(Co)7 (Hf)
CO7M2
tP32
(Co)7 (Nb,Ta)2
CO7Y6
(Co)7 (Y)6
COB
FeB
oP8
B27
(Co,Re) (B)
CORUNDUM
Al2O3
hR10
D51
(Al+3,Cr+2,Cr+3,Fe+2,Fe+3,Mn+3,Ti+3,V+3)2
(Cr+3,Fe+3,Ni+2,VA) (O-2)3
COY_BF
TlI
o58
CR2B_ORTH
Mn4B
oF40
(Co) (Y)
D1f
(Cr,Fe,Mo,Re)0.66666667 (B)0.33333333
CR3MN5
CR2NI2SI
(Cr)3 (Mn)5
W3Fe3C
(Cr)5 (Ni)5 (Si)3
CR3RU
(Cr)3 (Ru)
CR3NI5SI2
(Cr)3 (Ni)5 (Si)2 (C,VA)
CR3SI_A15
Cr3Si
cP8
A15
(Cr,Fe,Mo,Nb,Ni,Pd,Pt,Re,Si,Ta,Ti,V)3
(Al,Co,Cr,Nb,Ni,Pd,Pt,Ru,Si,Ta,Ti,V) (C,VA)3
CR5B3
Cr5B3
tI32
D8l
(Cr,Mo)0.625 (B)0.375
CRB4
CrB4
oI10
CRISTOBALITE
SiO2
cF24
CRNBSI
Fe2P
hP9
(Cr) (Nb) (Si)
oP6
(Cr,Mo,W)(Mo,Ni,W)2
CRNI2_OP6
(Cr)0.2 (B)0.8
C9
(SiO2)
CRSI2_C40
CrSi2
hP9
C40
(Cr,Hf,Mo,Nb,Si,Ta,V) (Al,Cr,Si)2
CUB_A13
Mn
cP20
A13
(Al,Co,Cr,Fe,Hf,Mn,Mo,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,
V)1 (C,VA)1
D0I_MO2B5
Mo2B5
hR21
D8i
(Mo)0.32 (B)0.68
D5A_M3B2
Si2U3
tP10
D5a
(Fe,Hf,Mo,Nb,Ta,V)3 (B)2
DIAMOND_A4
C
cF8
A4
(B,C,Si)
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
FCC_A1
Cu
cF4
A1
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr) (B,C,N,O,VA)
This phase appears only when FCC_L12 has been rejected by the user.
FCC_A1_2
NaCl
cF8
B1
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Re,Ru,Si,Ta,Ti,V,
W,Y,Zr) (B,C,N,O,VA)
This phase appears only when FCC_L12 has been rejected by the user.
FCC_L10
(Mn,Ni,Pd)0.5 (Mn,Ni,Pd)0.5
This phase is NOT described by partitioning order-disorder model.
FCC_L12
Cu
cF4
A1
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr)0.75
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr)0.25 (B,C,N,O,VA)
FCC_L12#2
Cu3Au
cP4
L12
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr)0.75
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr)0.25 (B,C,N,O,VA)
FCC_L12#3
NaCl
cF8
B1
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr)0.75
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr)0.25 (B,C,N,O,VA)
When the global minimisation is used, the number attributed to this phase is given
randomly. Only the filling of the different sublattices allow to identify the different
crystallographic structures described by this model.
FE2SI
(Fe)0.666667 (Si)0.333333
FE4N_LP1
cP5
(Co,Cr,Fe,Mn,Ni)4 (C,N)1
FE8SI2C
(Fe)8 (Si)2 (C)
FECN_CHI
(Fe)2.2 (N)
FESI2_H
(Fe)0.3 (Si)0.7
FESI2_L
(Fe)0.333333 (Si)0.666667
FESI_B20
FeSi
cP8
B20
(Co,Cr,Fe,Mn,Ni,Re) (Al,Si)
FEWB
(Fe) (W) (B)
FLUORITE_C1
CaF2
cF12
GAS
C1
(Al+3,Cr+3,Fe+2,Hf+4,Mn+2,Mn+3,Ni+2,Ti+4,
Y+3,Zr,Zr+4)2 (O-2,VA)4
(Al, AlB2, AlC, AlC2, AlH, AlHO_AlOH,
AlHO_HAlO, AlHO2, AlH2, AlH2O2, AlH3, AlH3O3,
AlN, AlO, AlO2, Al2, Al2C2, Al2O, Al2O2, Al2O3,
Ar, B, B10H14, BC, BC2, BH, BHO_BOH,
BHO_HBO, BHO2, BH2, BH2O, BH2O2, BH3,
BH3O, BH3O2, BH3O3, BH6N, BN, BO, BO2, B2,
B2C, B2H4O4, B2H6B2O, B2O2, B2O3, B3H3O3,
B3H3O6, B3H6N3, B5H9 C, CH, CHNO, CHN_HCN,
CHN_HNC, CHO, CHO2, CH2CH2N4, CH2O,
CH2O2_CIS, CH2O2_DIOXIRANE,
CH2O2_TRANS, CH3, CH3O_CH2OH,
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
CH3O_CH3O, CH4, CH4N2O, CH4O, CH5N, CN,
CNO, CNO_NCO, CN2_CNN, CN2_NCN, CO,
CO2, CPT, CSi, CSi2, CSi3, CSi4,C2, C2H, C2HN,
C2H2, C2H2O, C2H3, C2H4,
C2H4O_ACETALDEHYDE, C2H4O_OXIRANE,
C2H4O2_ACETICACID, C2H4O2_DIOXETANE,
C2H4O3_123TRIOXOLANE,
C2H4O3_124TRIOXOLANE, C2H5, C2H6, C2H6O,
C2H6OSi, C2H6O2, C2H8Si, C2N_CCN, C2N_CNC,
C2N2, C2O, C2Si, C2Si2, C2 Si3, C3, C3H, C3HN,
C3H4_1, C3H4_2, C3H6O, C3H6_1, C3H6_2, C3H8,
C3N, C3O2, C4, C4H, C4H10_1, C4H10_2,
C4H12Si, C4H2_1, C4H2_2, C4H4_1, C4H4_2,
C4H6_1, C4H6_2, C4H6_3, C4H6_4, C4H6_5,
C4H8_1, C4H8_2, C4H8_3, C4H8_4, C4H8_5,
C4H8_6, C4N, C4N2, C4NiO4, C5, C5FeO5, C5HN,
C5N, C60, C6H6, C6H6O, C6MoO6, C6N, C6N2,
C9N, Co, CoH, CoHO, CoH2O2, CoO, Co2, Cr,
CrH, CrHO, CrHO2, CrHO3, CrH2O2, CrH2O3,
CrH2O4, CrH3O3, CrH3O4, CrH4O4, CrH4O5, CrN,
CrO, CrO2, CrO3, Cr2, Cr2O, Cr2O2, Cr2O3, Fe,
FeH, FeHO, FeHO2, FeH2O2, FeO, FeO2, Fe2, H,
H1Mn1, H1MN1O1, HMoO, HMoO2, HMo3, HN,
HNO, HNO2_CIS, HNO2_TRANS, HNO3, HN3,
HNi, HNiO, HO, HOW, HO2, HO2W, HPT, HSi,
HZr, H2, H2MoO2, H2MoO3, H2MoO4, H2N,
H2N2O2, H2N2_1_1N2H2, H2N2_CIS,
H2N2_TRANS, H2NiO2, H2O, H2O2, H2O2W,
H2O3W, H2O4W, H2Si, H3N, H3NO, H3Si, H4N2,
H4Si, H6Si2, Hf, HfO, HfO2, Mn, Mn1O1, Mn1O2,
Mo, MoN, MoO, MoO2, MoO3, Mo2, Mo2O6,
Mo3O9, Mo4O2, Mo5O5, N, NNb, NO, NO2, NO3,
NSi, NSi2, NTi, NV, NZr, N2, N2O, N2O2, N2O3,
N2O4, N2O5, N3, Nb, NbO, NbO2, Ni, NiO, Ni2,
O10V4, O2W4, O15W5, OPd, OPt, ORe, ORu, OSi,
OTa, OTi, OV, OW, OY, OY2, OZr, O2, O2Pt,
O2Re, O2Ru, O2Si, O2Si2, O2Ta, O2Ti, O2V, O2W,
O2Y, O2Y2, O2Zr, O3, O3Re, O3Ru, O3W, O4Ru,
O6Re2, O6W2, O7Re2, O8W3, O9W3, Pd, Pt, Re,
Ru, Si, Si2, Si3, Ta, Ti, Ti2, V, W, Y, Zr, Zr2)
GRAPHITE
C
hP4
A9
(B,C)
G_PHASE
Mn23Th6
cF116
D8a
(Al,Co,Fe,Mn,Ni,Ti)16 (Hf,Nb,Ti,Y,Zr)6
(Co,Fe,Mn,Ni,Si)7
HALITE
NaCl
cF8
B1
(Al+3,Co+2,Co+3,Cr+3,Fe+2,Fe+3,Mn+2,Mn+3,Ni+2,
Ni+3,Ti,Ti+2,Ti+3,V,V+2,V+3,VA)1 (O-2,VA)1
HCP_A3
Mg
hP2
A3
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr) (B,C,N,O,VA)0.5
HCP_A3#2
NiAs
hP4
B81
(Al,Co,Cr,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta
,Ti,V,W,Y,Zr) (B,C,N,O,VA)0.5
HFMN
(Hf)0.5 (Mn) 0.5
HF2PD
MoSi2
tI6
HF3NI7
Hf3Ni7
aP20
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
C11b
(Hf)2 (Pd)
(Hf)0.3 (Ni)0.7
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Phone: +46 8 545 959 30
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
HF3PD4
(Hf)3 (Pd)4
HF8NI21
Hf8Ni21
a**
(Hf,Zr)8 (Ni)21
HFNI3_ALPHA
BaPb3
hR*
(Hf)0.25 (Ni)0.75
HFNI3_BETA
γTa(Pd,Rh)3
hP*
(Hf)0.25 (Ni)0.75
HFNI_ALPHA
HFPD2
(Hf)0.5 (Ni)0.5
MoSi2
tI6
C11b
(Hf) (Pd)2
HFRE
(Hf) (Re)
HFSIO4
(Hf+4) (Si+4) (O-2)4
H_L21
AlCu2Mn
cF16
L21
(Al,Ni,Ti)0.5 (Al,Hf,Nb,Ni,Ta,Ti,Zr)0.5
(Co,Ni,Ru,VA)
Heusler phase
KYANITE
(Al+3) (Al+3) (Si+4) (O-2)5
L102_MNPT
(MN,PT)0.25 (MN,PT)0.25(MN,PT)0.25 (MN,PT)0.25
(VA)1
This phase describes both L10 and L12 structure. Suggest for test only in this binary
system. The non-configurational contribution to the description of this phase, DIS_FCC_L10,
should not be rejected when this phase is defined.
(Al+3, Co+2, Cr+2, Fe+2, Hf+4, Mn+2, Mo+4, Nb+2,
LIQUID
Ni+2, Pd+2, Pt+2, Re+4, Ru+4, Si+4, Ta+5, Ti+2,
V+2, W+6, Y+3, Zr+4)P (AlO2-1, O-2, SiO4-4, VA,
AlN, B, BO1.5, C, N, CoO1.5, CrO1.5, FeO1.5,
MnO1.5, MoO3, NbO2, NbO2.5, ReO3.5, SiO2,
TiO2, VO2, VO2.5)Q
M11SI8
Cr11Ge8
oP76
(Cr,Nb)11 (Si)8
M12C
Mo6Ni6C
cF104
(Co,Ni)6 (Mo,W)6 (C)
M23C6
Cr23C6
cF116
D84
(Co,Cr,Fe,Mn,Ni,Re,V)20
(Co,Cr,Fe,Mo,Mn,Ni,Re,V,W)3 (C)6
M2B_TETR
CuAl2
tI12
C16
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)2 (B)
M2O3C
(Mn0.5Fe0.5
)2O3
cI80
D53
(Al+3,Cr+3,Fe+3,Mn+3,Ni+2,Y, Y+3, Zr+4)2 (O-2,
VA)3 (O-2, VA)1
M2O3H
La2O3
hP10
(Mn+3,Y,Y+3,Zr+4)2 (O-2,VA)3 (O-2,VA)1
M3B2
Mo2FeB2
tP10
(Cr,Fe,Mo,Ni,W)0.4 (Cr,Fe,Ni)0.2 (B)0.4
M3C2
Cr3C2-β
oP20
M3SI1
Ti3P
tP32
M3SI2_D5A
Si2U3
tP10
D510
(Cr,Mo,V,W)3 (C)2
(Hf,Nb,Ta,Ti,Zr)3 (Si)
D5a
(Hf,Nb,Zr)3 (Si)2
M4SI3
(Cr,Ni)4 (Si)3
M5C2
mC28
M5SI3_D88
Mn5Si3
hP16
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
(Fe,Mn)5 (C)2
D88
(Cr,Fe,Hf,Mn,Mo,Nb,Si,Ti,Y,Zr)2 (Cr,Si,Ti)3
(Cr,Fe,Hf,Mn,Mo,Nb,Ti,Y,Zr)3 (C,VA)
[email protected]
Phone: +46 8 545 959 30
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
M6C
W3Fe3C
cF112
E93
(Co,Fe,Ni)2 (Mo,Nb,Ta,W)2
(Co,Cr,Fe,Mo,Nb,Ni,Ta,V,W)2 (C)
M6SI5
V6Si5
oI44
M7C3
Cr7C3
oP40
D101
(Co,Cr,Fe,Mn,Mo,Ni,Re,V,W)7 (C)3
MB2_C32
AlB2
hP3
C32
(B)2 (Al,Cr,Hf,Mn,Mo,Nb,Ta,Ti,V,Y,Zr)
(Cr,Nb)6 (Si)5
AlB2, CrB2, HfB2, MoB2, NbB2, TaB2, TiB2, VB2, YB2, ZrB2
MB_B33
BCr
oC8
B33
(Cr,Fe,Hf,Mo,Nb,Ni,Ta,Ti,V) (B)
CrB, NbB, NiB, TaB, VB
MC_ETA
TiAs
hP8
Bi
(Mo,V,W) (C,VA)
MoC1-x η
MC_SHP
WC
hP2
Bh
(Mo,W) (C,N)
MNB4
(Mn)0.2 (B)0.8
MN2B_D1F
(Mn)0.6707 (B)0.3293
MN6N4
(Mn)6 (N)4
MN6N5
(Mn)6 (N)5
MNNI2
(Mn,Ni)1 (Ni)2
MN1O2
(MN)1 (O)2
MNPD2
(MN)1 (PD)2
MN3PD5
(MN)3 (PD)5
MNPT_L10
CuAu
tP2
L10
(MN,PT)0.5 (MN,PT)0.5 (VA)1
The non-configurational contribution to the description of this phase, DIS_FCC_L10, should
not be rejected when this phase is defined.
MN3SI
(Fe,Mn)3 (Al,Si)1
MN6SI
(Mn)17 (Si)3
MN9SI2
(Mn)33 (Si)7
MN11SI19
(Mn)11 (Al,Si)19
MNTA
(Mn)1 (Ta)1
MNTI_LT
(Mn)1 (Ti)1
MNTI_HT
(Mn)0.515 (Ti)0.485
MN3TI
(Mn)3 (Ti)1
MN4TI
(Mn)0.815 (Ti)0.185
MN12Y
(Mn)12 (Y)1
MNYO3_HEX
(Y+3)1 (Mn+3)1 (O-2)3
MN2YO5
(Y+3)1 (Mn+3)1 (Mn+4)1 (O-2)5
MoC, WC
MO3NI10B11
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
(Mo)3 (Ni)10 (B)11
[email protected]
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
MO4O11
MO8O23
(Mo)4 (O)11
Mo8O23
mP124
(Mo)8 (O)23
MO9O26
(Mo) (O)2.889
MOB
MoB
tI16
MOB4
WB4
hP20
Bg
(Cr,Fe,Mo) (B)
(Mo)0.2 (B)0.8
MOCOB
(Mo,W) (Co) (B)
MONI4_BETA
MoNi4-β
tI10
D1a
MONI_DELTA
MoNi-δ
oP56
(Co,Cr,Fe,Ni,Re)24 (Co,Cr,Fe,Mo,Ni,Re,W)20
(Mo,W)12
MOO2
VO2
mP12
(Mo) (O)2
MOO3
MoO3
oP16
(Mo) (O)3
MOSI2_C11B
MoSi2
tI6
C11b
(Mo,Pd,W) (Al,Si,Ti)2
MSI2_C1
CaF2
cF12
C1
(Co,Ni) (Al,Si)2
MSI_B27
FeB-β
oP8
B27
(Hf,Nb,Ti,Y,Zr) (Si)
MULLITE
MU_PHASE
(Mo,W) (Ni)4
(Al+3) (Al+3) (Al+3,Si+4) (O-2,VA)5
W6Fe7
hR13
D85
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)2
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)6
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)4
The non-configurational contribution to the description of this phase, DIS_MU, should not be
rejected when this phase is defined.
MZR3_E1A
E1a
(Co,Fe) (Y,Zr)3
NB13NI75TI12
(Nb)0.13 (Ni)0.75 (Ti)0.12
NB15NI56TI29
(Nb)0.15 (Ni)0.56 (Ti)0.29
NB15NI80TI5
(Nb)0.15 (Ni)0.8 (Ti)0.05
NB2O5
Nb2O5
mP99
(Nb)2 (O)5
NB3RU5
Ge3Rh5
oP16
(Nb,Ru)0.375 (Ru)0.625
NB5NI75TI20
(Nb)0.05 (Ni)0.75 (Ti)0.2
NB8NI9TI3
(Nb)0.4 (Ni)0.45 (Ti)0.15
NBO
NbO
cP6
(Nb) (O)
NBO2
NbO2
tI96
(Nb) (O)2
NIMNO3
(Mn+3,Mn+4,Ni+2)2 (O-2)3
NI6MNO6
(Ni+2)6 (Mn+4)1 (O-2)8
NI10ZR7
Ni10Zr7
oC*
(Ni)23 (Hf,Zr)17
NI11ZR9
Zr9Pt11
tI40
(Ni)11 (Hf,Zr)9
NI17Y2
Lu1.82Fe17.3
hP80
(Fe,Ni)1 (Y)0.1176
hP6
(Ni) (Ni,VA) (Al,Si)
5
NI2SI_TETA
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
NI2TA
MoSi2
tI6
C11b
(Co,Ni)2 (Ta)
NI2V
MoPt2
NI2Y
TmNi2
cF192
(Ni)2 (Y)
NI2Y3
Ni2Y3
tP80
(Ni)2 (Y)3
(Ni,Pd,Pt)2 (Nb,Ta,V)
NI31SI12
(Co,Cr,Fe,Ni)5 (Si)2
NI3B_D011
Fe3C
oP16
NI3CR2B6
V5B6
oS22
(Ni)3 (Cr)2 (B)6
oP80
(Ni)3 (Si)2
(Ni)3 (Si)
NI3SI2
D011
(Co,Cr,Fe,Mo,Ni)3 (B)
NI3SI_MONOCL
Ge9Pt25
hP34
NI3SI_ORTHO
Fe3C
oP16
D011
(Ni)3 (Si)
NI3TA_D0A
Cu3Ti
oP8
D0a
(Al,Co,Cr,Fe,Ni,Nb,Pt)3
(Al,Fe,Mo,Nb,Ni,Pt,Ta,Ti,V,W)
δ, Ni3Ta, Ni3Mo, Ni3Nb
NI3TI_D024
Ni3Ti
hP16
D024
(Al,Co,Cr,Fe,Hf,Ni,Pd,Pt,Ta,Ti,W,Zr)0.75
(Al,Cr,Hf,Mo,Nb,Ni,Pd,Pt,Si,Ta,Ti,W,Zr)0.25
η, Ni3Ti, Ni6AlTa
NI3Y
Ni3Pu
hR36
(Fe,Ni)3 (Y)
NI4B3
(Ni)0.57142857 (B)0.42857143
NI4SI2B
(Ni)4.29 (Si)2 (B)1.43
NI4Y
Ni4Y
hR*
(Ni)4 (Y)
NI5ALB4
NI5ZR
(Ni)5 (Al) (B)4
AuBe5
cF24
C15b
(Ni)5 (Hf,Y,Zr)
NI6SI2B
(Ni)6 (Si)2 (B)
NI7ZR2
mC36
(Al,Co,Cr,Ni)7 (Hf,Y,Zr)2
NI8ALB11
m**
(Ni)8 (Al) (B)11
NI8TA
Ni8Nb
tI36
(Ni)8 (Nb,Ta)
NICR3B6
V2B3
oS20
(Ni)0.1 (Cr)0.3 (B)0.6
NIMOO4
(Ni+4) (Mo+6) (O-2)
NISI_B31
MnP
oP8
NITI2
NiTi2
cF96
(Co,Cr,Fe,Ni,Re,Ti) (Al,Cr,Hf,Ni,Ta,Ti,Zr)2
NIW
o**
(Ni) (W)
NIW2
tI96
(Ni) (W)2
mP12
(Ni+4) (W+6) (O-2)
NIWO4
AgAuTe4
B31
(Ni,Pd) (Si)
NIZR
(Ni) (Ti,Y,Zr)
OLIVINE
(Co+2,Fe+2,Mn+2,Ni+2) (Co+2,Fe+2,Mn+2,Ni+2)
(Si+4) (O-2)4
PD11ZR9
(Pd)11 (Zr)9
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
PD14SI3
(Pd)14 (Si)3
PD15SI4
aP20
(Pd)15 (Si)4
PD19SI10
(Pd)19 (Si)10
PD21SI4
(Pd,Si)21 (Si)4
PD2TA
oI6
PD2TI
MoSi2
tI6
(Pd)2 (Ta)
C11b
PD2Y
(Pd)2 (Ti)
(Pd)2 (Y)
PD2Y3
Er3Y2
hR45
(Pd)2 (Y)3
PD2Y5
Dy2.12Pd0.88
cF144
(Pd)2 (Y)5
PD3M
Cu3Au
cP4
(Pd)3 (Pd, Y)
PD39SI20
(Pd)39 (Si)20
PD3SI
Fe3C
oP16
PD3TI2
Au2V
oC20
D011
(Pd)3 (Si)
(Pd)3 (Ti)2
PD3Y2_HT
(Pd)3 (Y)2
PD3Y2_LT
(Pd)3 (Y)2
PD4ZR3
(Pd)4 (Zr)3
PD4Y3
Pu3Pd4
PD5SI
hR42
(Pd)4 (Y)3
mP24
(Pd)5 (Si)
PD5TI3
(Pd)5 (Ti)3
PD7Y
(Pd)7 (Y)
PD9SI2
oP44
(Pd)9 (Si)2
PDO
(Pd) (O)
PDZRM
MoSi2
tI6
C11b
(Pd) (Zr) (Pd,Zr)
PDZR_ALPHA
(Pd) (Zr)
PDZR_BETA
(Pd) (Zr)
PDY3
Fe3C
oP16
(Pd) (Y)3
PDY_HT
(Pd) (Y)
PDY_LT
(Pd) (Y)
PI
β-Mn
cP20
A13
(Cr)12.8 (Fe,Ni)7.2 (N)4
PT10ZR7
(Pt)10 (Zr)7
PT25SI7
(Pt)25 (Si)7
PT2TA
ZrSi2
oC12
PT2Y
MgCu2
cF24
(Pt)2 (Y)
PT3O4
Pt3O4
cP14
(Pt)3 (O)4
PT3TA
Pt3Nb
mP48
(Pt)3 (Ta)
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
C49
[email protected]
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(Pt)2 (Ta)
Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
PT3TI4
(Pt)3 (Ti)4
PT3Y5
Mn5Y3
hP16
(Pt)3 (Y)5
PT3Y7
Th7Fe3
hP20
(Pt)3 (Y)7
PT3Y
Cu3Au
cP4
(Pt)3 (Y)
PT3ZR5
Mn5Si3
hP16
D88
(Pt,Zr)3 (Pt,Zr)5
PT4Y3
(Pt)4 (Y)3
PT4Y5
Sm5Ge4
oP36
(Pt)4 (Y)5
PT4ZR
(Pt,Zr)4 (Pt,Zr)
PT4ZR3
(Pt,Zr)4 (Pt,Zr)3
PT5SI2
(Pt)5 (Si)2
PT5Y
*
PT6SI5
PT8TI
MoNi4-β
o*72
(Pt)5 (Y)
mP22
(Pt)6 (Si)5
tI10
D1a
(Pt)8 (Ti)
PTO2
(Pt) (O)2
PTSI
MnP
oP8
B31
(Pt) (Si)
PTY3
Fe3C
oP16
(Pt) (Y)3
PTY2
Co2Si-b
oP12
(Pt) (Y)2
PTY
FeB-b
oP8
(Pt) (Y)
P_PHASE
Cr9Mo21Ni2
oP56
(Cr,Fe,Ni,Re)24 (Cr,Fe,Mo,Ni,Re)20 (Mo)12
0
QUARTZ
SiO2
hP9
RE2O7
Re2O7
oP72
C8
(SiO2)
(O7Re2)
RE2SI
(Re)2 (Si)
RE2Y
MgZn2
hP12
C14
(Re)2 (Y)
RE3B
Re3B
oC16
E1a
(Cr,Mo,Re,Ta,W)3 (B)
RE3CO3B2
Ti3P
tP32
(Re)3 (Co)3 (B)2
RE5CO2B4
Ti3P
tP22
(Re)4 (Co,Re)2 (Co) (B)4
RE7B3
Th7Fe3
hP20
REB2
ReB2
hP6
RECOB
Co2Si
oP12
D102
(Co,Cr,Mo,Nb,Re,Ru,Ta,W)7 (B)3 (B,VA)3
(Re) (B)2 (B,VA)2
C37
(Re) (Co) (B)
REO2
(O2Re)
REO3
(O3Re)
RESI2_C11B
(Re)0.357 (Si)0.643
REZR2
ReZr2
(Ni,Re) (Zr)2
RHODONITE
RUB
(Mn+2)1 (Si+4)1 (O-2)3
cI*
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
(Ru) (B)
[email protected]
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Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
RUB2
RuB2
oP6
(Ru) (B)2
RU2B3
Ru2B3
hP10
(Ru)2 (B)3
RU2SI_C37
Co2Si
Pnma
(Ru)2 (Si)
RU2SI3
(Ru)2 (Si)3
RU25Y44
Ru25Y44
oP276
(Ru)25 (Y)44
RU2Y3
Ru2Er3
hP2
(Ru)2 (Y)3
RU2Y5
C2Mn5
mS28
(Ru)2 (Y)5
RU4SI3
Ru4Si3
Pnma
(Ru)4 (Si)3
RUO2
TiO2
tP6
C4
(RuO2)
RUSI
(Ru) (Si)
(V+4,Ti+4) (O-2)
RUTILE_MO2
TiO2
tP6
C4
RUY3
CFe3
oP16
(Ru)1 (Y)3
R_PHASE
Co5Cr2Mo3
hR53
(Co,Cr,Fe,Ni,Re)27 (Mo,W)14
(Co,Cr,Fe,Mo,Ni,Re,W)12
SI3N4
(Si)3 (N)4
SI5V6
Nb6Sn5
(Si)5 (V)6
SIC
ZnS
cF8
B3
(Si) (C)
SIGMA
CrFe
tP30
D8b
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,
V,W)10
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,
V,W)4
(Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,
V,W)16
The non-configurational contribution to the description of this phase, DIS_SIG, should not
be rejected when this phase is defined.
(Al+3) (Al+3) (Si+4) (O-2)5
SILLIMANITE
SPINEL
MgAl2O4
cF56
H11
(Al+3,Co+2,Co+3,Cr+2,Cr+3,Fe+2,Fe+3,Mn+2,Ni+2)
(Al+3,Co+2,Co+3,Cr+3,Fe+2,Fe+3,Mn+2,Mn+3,
Mn+4,Ni+2,VA)2 (Cr+2,Fe+2, Mn+2,VA)2 (O-2)4
TA2O5_HT
(Ta)2 (O)5
TA2O5_LT
(Ta)2 (O)5
TA3B2
Si2U3
tP10
D5a
(Ta)3 (B)2
TA5SI3_D8L
Cr5B3
tI32
D8l
(Hf,Nb,Ta)5 (Al,Si)3
TAAL
TAAL2
Ta39Al69
mP*
(Ta)0.51515 (Al)0.48485
cF444
(Ta)0.35 (Al)0.65
TAN_EPS
TAU
(Ta) (N)
Cr23C6
cF116
D84
(Co,Hf,Ni,Re)20 (B)6 (B,VA)6
(Al,Cr,Hf,Mo,Re,Ta,Ti,V,W,Zr)3
TI2N_C4
Thermo-Calc Software AB
Norra Stationsgatan 93
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SWEDEN
(Ti)2 (N)
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
www.thermocalc.com
Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
TI3N2
(Ti)0.71 (N)0.29
TI3O2
(Ti+2)2 (Ti) (O+2)2
TI3O5
(Ti+3)2 (Ti+4) (O-2)5
TI3SIC2
(Ti)3 (Si) (C)2
TI4N3
(Ti)0.685 (N)0.315
TI25MN9AL66
(Al,Mn,Ti)0.25 (Al,Mn)0.08 (Al,Mn,Ti)0.67
(Ti+2) (O-2)
TIO_ALPHA
TiO
mS20
TISI2_C54
TiSi2
oF24
C54
(Mo,Nb,Ru,Ti) (Al,Si)2
TRIDYMITE
SiO2
hP12
C10
(SiO2)
V2B3
V2O5
V2O5
oC**
(V)0.4 (B)0.6
oP14
(V+5)2 (O-2)5
V2O_SS
(V) (O,VA)0.5
V3C2
hR20
(V)3 (C)2
V52O64
(V)52 (O)64
V5B6
V5B6
(Nb,V)5 (B)6
(V+4) (O-2)2
VO2_LT
W2COB2
W2CoB2
oI10
(Mo,W)2 (Co,Ni) (B)2
W3COC
(W)3 (Co,Ni) (C)
W5SI3_D8M
W5Si3
tI32
D8m
(Cr,Fe,Mo,Nb,V,W)4 (Cr,Fe,Mo,Nb,V,W,Si)
(Al,Si)3
WO2
(O2W)
WO2_72
(O2.72W)
WO2_90
(O2.9W)
WO2_96
(O2.96W)
WO3_HT
WO3
tP16
(O3W)
WO3_LT
(O3W)
WO3_LT
(O3W)
Y15C19_H
(Y)15 (C)19
Y15C19_R
(Y)15 (C)19
Y2C3_H
(Y)2 (C)2 (C, VA)
Y2C3_R
(Y)2 (C)2 (C, VA)
Y2S2D_Y2SI2O
7
Y2[Si2O7]
oP44
(Y+3)1(Y+3)1(Si2O7-6)1
Y2SIO5
Y2[SiO4]O
mS64
(Y+3)1(Y+3)1(SiO4-4)1O-2)1
Y3SI5_HT
(Y)3 (Si)5
Y3SI5_LT
(Y)3 (Si)5
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
www.thermocalc.com
Org.No: 556540-6138
VAT No: SE556540613801
TCNI7
YAG
Y3Al5O12
cI160
(Al+3)5(Y+3)3(O-2)12
YAM
GdFeO3
oP20
(Al+3)1(Y+3)1(O-2)3
YAP
Y4Al2O9
mP60
(Al+3,Si+3)2(Y+3)4(O-2,VA)1(O-2)9
YB4
UB4
tP20
(Y) (B)4
YB6
CaB6
cP7
(Y) (B)6
YB66
YB66
cf1936
(Y) (B)66
YC_GAMMA
NaCl
cF8
(Y) (C, C2, VA)
YC2_C11A
CaC2
tI6
(C)2 (Y)
YSI2_HT
AlB2
hP3
(Si)2 (Y)
ZR3Y4O12
Y6OU12
hR57
(Zr4)3(Zr4)4(O-2)12
ZR5SI4
Zr5Si4
tP36
(Hf,Nb,Ti,Y,Zr)5 (Si)4
ZRO2_MONO
ZrO2
mP12
ZRO2_TETR
ZrO2
tP6
ZRSI2_C49
ZrSi2
oC12
(Hf+4,Zr+4) (O-2)2
C43
(Al+3,Cr+3,Fe+2,Hf+4,Mn+2,Mn+3,Ni+2,Ti+4,
Y+3,Zr+4)2 (O-2)4
C49
(Zr,Hf,Nb) (Si)2
ZRSIO4
(Si+4)1(Zr+4)1(O-2)4
Z_PHASE
(Cr,Fe) (Mo,Nb,V) (N,VA)
Thermo-Calc Software AB
Norra Stationsgatan 93
SE-113 64 Stockholm
SWEDEN
[email protected]
Phone: +46 8 545 959 30
Fax: +46 8 673 37 18
www.thermocalc.com
Org.No: 556540-6138
VAT No: SE556540613801