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TCMG4: TCS Mg-based Alloys Database
Database name: TCS Mg-based Alloys Database Database acronym: TCMG
Database owner: Thermo-Calc Software AB Database version: 4.0
TCMG4 is a thermodynamic database for Mg-based alloys for use with the Thermo-Calc software package. TCMG can be used for a wide range of compositions from pure Mg to very complex Mg-based commercial magnesium alloys. It can be used not only for calculating phase diagrams and thermodynamic properties of assessed systems, but also for predicting phase equilibria and simulating solidification processes for a wide range of magnesium alloys of industrial relevance, including the Mg-Al based alloys such as AZ, AE, AJ, AM, AS, and AX, Mg-Zn-Zr alloys such as ZK60, Mg-RE (rare earth)-Zn (EZ) alloys and Mg-RE-Zr alloys such as WE and so on. The database has been developed in a 24-element framework:
Ag Al Ca Ce Cu Fe Gd K La Li Mg Mn
Na Nd Ni Pr Sc Si Sn Sr Th Y Zn Zr
A hybrid approach of experiments, first-principles calculations and CALPHAD modeling have been used to obtain thermodynamic descriptions of the constituent binary and ternary systems over the whole composition and temperature ranges. In total, 161 binary systems and 81 ternary systems have been assessed, as listed in the section Systems Critically Assessed in TCMG4. These assessed binary and ternary systems can be calculated with the BINARY module and the TERNARY module in Thermo-Calc, respectively. Examples of calculatedbinary phase diagrams, ternary phase diagrams and thermodynamic properties of these assessed systems can be found in Examples of calculations using TCMG.
In TCMG4, there are 434 solution phases and intermetallic compounds included. Note that in most cases phases having the same crystal structure had been merged as the same phase. A full list of the phases and their models and constituents can be found in List of all phases included in TCMG4 and List of models for all the phases included in TCMG4, respectively. For some phases with general names in the database, supplementary information was attached. Users can find it in the List of models section, or get it by using the command LIST_SYSTEM CONSTITUENT or LIST_DATABASE CONSTITUENT in the TDB module.
The TCMG4 database enables predictions (such as multi-component phase equilibria calculation, equilibrium solidification simulation and Scheil solidification simulation) to be made for multicomponent systems and alloys of industrial importance. This means that TCMG4 may be utilized to extrapolate to higher-order systems by combining several critically assessed systems. Some examples for such calculations are shown in Examples of calculations. It should be noted, however, that validation of such extrapolations should be always made by experiments. Concerning how to simulate solidification processes and how to appropriately interpret the simulated results, it is highly recommended for the users to read the section Examples of solidification simulation.
If you are interested in the revision history for this database, the information is available in the online help (from Thermo-Calc go to Help>Online Help) or in the various release notes on our website.
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Systems Critically Assessed in TCMG4
Assessed Binary Systems in Full Range of Composition and Temperature
Assessed Ternary Systems
Mg-Ag-Cu Mg-Ag-Gd Mg-Al-Ca Mg-Al-Ce Mg-Al-Cu Mg-Al-Fe
Mg-Al-Gd Mg-Al-Li Mg-Al-Mn Mg-Al-Na Mg-Al-Nd Mg-Al-Ni
Mg-Al-Si Mg-Al-Sn Mg-Al-Sr Mg-Al-Y Mg-Al-Zn Mg-Al-Zr
Mg-Ca-Ce Mg-Ca-Gd Mg-Ca-Li Mg-Ca-Nd Mg-Ca-Ni Mg-Ca-Si
Mg-Ca-Sn Mg-Ca-Sr Mg-Ca-Y Mg-Ca-Zn Mg-Ca-Zr Mg-Ce-Gd
Mg-Ce-La Mg-Ce-Mn Mg-Ce-Nd Mg-Ce-Si Mg-Ce-Sr Mg-Ce-Y
Mg-Ce-Zn Mg-Ce-Zr Mg-Cu-Fe Mg-Cu-Li Mg-Cu-Mn Mg-Cu-Ni
Mg-Cu-Si Mg-Cu-Y Mg-Cu-Zn Mg-Cu-Zr Mg-Fe-Mn Mg-Fe-Ni
Mg-Fe-Si Mg-Fe-Zn Mg-Gd-Li Mg-Gd-Nd Mg-Gd-Sr Mg-Gd-Y
Mg-Gd-Zn Mg-Gd-Zr Mg-La-Nd Mg-La-Ni Mg-La-Si Mg-La-Y
Mg-Mn-Ni Mg-Mn-Sc Mg-Mn-Si Mg-Mn-Y Mg-Mn-Zn Mg-Nd-Sr
Mg-Nd-Y Mg-Nd-Zn Mg-Ni-Zn Mg-Si-Zn Mg-Pr-Y Mg-Si-Sn
Mg-Si-Y Mg-Sn-Zn Mg-Sr-Zn Mg-Y-Zn Ag-Al-Cu Al-Ca-Sr
Al-Cu-Si Al-Fe-Mn Ca-Sr-Zn
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Assessed Quaternary Systems
Mg-Al-Ca-Zn Mg-Al-Ca-Sr Mg-Al-Cu-Si Mg-Al-Mn-Zn Mg-Gd-Nd-Y
Examples of Calculations Using TCMG Note that some phase diagrams have been calculated with older versions of the TCMG database; small differences might be observed if these are recalculated with TCMG4. For the systems that have been considerably or significantly improved, the phase diagrams are recalculated with TCMG4.
Figure 1. Calculated Al-Mg phase diagram [1998, Liang].
Figure 2. Calculated Gd-Mg phase diagram [2007, Guo].
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Figure 3. Calculated Al-Li phase diagram [1989, Saunders].
Figure 4. Calculated La-Mg-Nd isothermal section at 773 K, the assessment is based on the experimental work of Zhang [2014].
Figure 5. Calculated Mg-Gd-Zn phase equilibria at 673 K [2015a, Chen].
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Figure 6. Calculated Al-Mg-Zn liquidus projection [1997, Liang; 2005, Petrov].
Figure 7. Calculated Al-Mg-Sr liquidus projection [2007, Janz], compared with the alloy compositions for which the primary phases were determined [2008, Cao; 2007, Aljarrah].
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Figure 8. Calculated enthalpy of mixing of liquid at 955 K along several compositional lines in the Al-Li-Mg system [2011, Wang].
Figure 9. Calculated vertical section from Mg to Al0.67Li0.33 in the Al-Li-Mg system [2011, Wang].
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Figure 10. Calculated isothermal section from Mg0.667Sn0.333 to Mg0.54Al0.46 [2007, Doernberg].
Figure 11. Calculated solidus and solvus of the (Mg) solution in the Gd-Mg-Y system [2007, Guo].
Figure 12. Calculated Mg-rich phase equilibria of the Gd-Mg-Nd system at 773 K and 808 K [2011, Qi].
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Figure 13. Scheil solidification calculations of the Mg-8Gd-0.6Zr-3(Nd, Y) alloys.
Figure 14. Calculated vertical sections in the Ce-Mg-Mn system, at 0.6 wt. % Mn, 1.8 wt. % Mn and 2.5 wt. % Mn, respectively, compared with experimental data from Zhang [2009].
Figure 15. Calculated vertical section at 9.1 wt.% Al -1.53 wt.% Zn with Mn varying from 0 to 1 wt.% in the Mg-Al-Mn-Zn system. The experimental data are from Thorvaldsen and Aliravci [1992].
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Figure 16. Comparison of calculated and measured liquidus temperatures and solidus temperatures of some ternary, quaternary, quinary and commercial Mg alloys.
Figure 17. Calculated Mg-Y-Zn liquidus projection in the Mg-rich corner and the Mg-Zn vicinity [2015a, Chen].
Figure 18. Calculated Mg-Y-Zn isothermal section at 773 K, showing the presence of 14H (LPSO), 18R (LPSO), W (Mg3R), I, Z and H (YZn5) [2015a, Chen].
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Figure 19. Calculated Ce-Mg-Nd isothermal section at 773 K. Heated alloys A, B and C: (Mg) and Mg41R5; D, E and F: Mg41R5 and Mg12R.
Figure 20. Calculated Ce-Mg-Nd liquidus projection. As-cast alloys A and B: (Mg) > Mg12R; C: Mg12R > ?; D: Mg12R +(Mg) ?; E: Mg3R > Mg12R; F: Mg41R5 > Mg12R. The phase formation in alloys C, D and E can be interpreted with the metastable calculation.
Figure 21. Calculated Ag-Gd-Mg liquidus projection [2015b, Chen].
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Figure 22. Calculated Cu-Mg-Y phase equilibria at 673 K [2015c, Chen].
Examples of Solidification Simulation Using TCMG AZ91 is a series of the most important die casting Mg alloys. The typical microstructures of the solidified AZ91 alloys usually consist of (Mg) grains and mainly the Al12Mg17 phase at the grain boundaries [2009, Kabirian and 2006, Wang]. Similar microstructures are observed in other AZ series alloys [2011, Wu]. Using the TCMG database, one can simulate the solidification process of the AZ91 alloy with the Scheil module. It should be noted, however, that there are several aspects that the users need to pay attentions to when they use the simulated results to interpret experimental observations:
It is recommended to always check the calculated phase fractions, before comparing the simulation with experimentally observed microstructures.
Figure 23a plots the total fraction of solid phases against temperature, from the solidification calculation of the AZ91 alloy (the solid line corresponds to the Scheil calculation and the dashed line to the equilibrium calculation). The calculation predicted the formation of three Al-Mn compounds, Al8Mn5, Al11Mn4 and Al4Mn, in addition to the experimentally observed phases, hcp_A3-(Mg) and Al12Mg17. At a first glance, the calculation is not reliable. As can be seen in Figure 23b, however, the amounts of the Al-Mn compounds are negligible. Of them, Al8Mn5 has the highest amount but less than 0.3% and the other two are less than 0.01%. They may have been overlooked in experiments because of their tiny amounts, if no advanced phase identification techniques had been used.
Mn is usually added as an alloying element in Mg-Al based alloys (including AZ, AM and AS series). This element is believed to be able to increase resistance against corrosion and prevent soldering in magnesium alloy high pressure die casting. Furthermore, Al8Mn5 usually forms at the beginning of the solidification of the AZ series Mg alloys and it had been reported that this phase can act as potent nucleation sites for (Mg). Although this ability of Al8Mn5 was doubted by the most recent work of Wang et al. [2010], this phase does precipitate in the solidified microstructures. However, it is not easy to experimentally identify the Al-Mn phases in Al-Mg based alloys, especially Al11Mn4 [2004, Barber] and Al4Mn [2004, Dhuka].
Not only the current Scheil simulation using TCMG agrees with experimental observations, but also such theoretical calculations can predict the phases that have a minor or trace amount and are difficult to be identified by experiments. It is suggested to always check the phase fractions in simulated results.
Practically, one may reject the phases whose amounts are negligible during the simulation.
One may feel it distracting to include those insignificant phases on the diagram. Practically, one can do a second-round simulation with those phases excluded. The insignificant phases could be identified based on a preliminary simulation in which all the phases are included. It is recommended to reject all phases first and then restore those of interest. Figure 24 presents the simulated Scheil solidification curve with only liquid, Al8Mn5, hcp_A3 and Al12Mg17 included. The solidification curve is almost the same as that in Figure 23a, so is
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the phase formation of the major phases. However, it is much easier to analyze the simulated results, with the minor phases excluded.
Alternatively, one may choose to exclude from the solidification simulation some of the minor alloying elements, which have no significant effects on the solidification sequence, instead of rejecting the minor phases. This is practically useful as well, when the number of alloy components is large. In this case, the alloy contains only four components, while one may still run the simulation after excluding Mn, which is another way to get rid of the Mn-bearing compounds.
Interpretation of the thermal analysis data
Al8Mn5 is the primary phase during the solidification of the AZ91 alloy. The liquidus temperature (i.e. the start of the solidification of Al8Mn5) is calculated to be 680°C. It should be noted that the first arrested thermal effect observed in some thermal analysis experiments, e.g., 600.6°C [2014, Bakke] or 604°C [2003, Riddle], does not correspond to the liquidus temperature, but is related to the start of the solidification of (Mg), which is 601.4°C according to the Scheil calculation. Since the amount of Al8Mn5 is low, the heat effect corresponding to the solidification of Al8Mn5 is too small to be readily detected. Precisely conducted thermal analysis, however, can still detect the thermal effect. Thorvaldsen and Aliravci [1992] successfully measured the Al8Mn5 liquidus in several AZ91 alloys with 9.1 wt. % Al, 1.53 wt. % Zn and Mn varying from 0 to 1 wt.%. It has been shown in Figure 15 that these data can be well account for by the phase diagram calculated using TCMG.
It is suggested to make moderate use of Scheil solidification.
The Scheil solidification simulation can provide good approximations to real solidification processes and has been widely employed. But please note that a real solidification is expected to be between a Scheil solidification simulation and an equilibrium solidification simulation. Figure 25 presents the simulated equilibrium solidification profile and Scheil solidification profile in comparison with experimental thermal analysis [2003, Riddle]. As expected, the experimental profile is located between the two solidification simulations. The start temperature of the solidification of (Mg) and the eutectic temperature of L = (Mg) + Al12Mg17, together with the profile shape, are all accounted for by the Scheil simulation. One cannot complain that the solid phase fractions show significant differences in the region above 0.6. In this example the experimental results have been reasonably accounted for by the current simulation.
In some cases, a real solidification process could much more approach to either of the two solidification simulations and deviate from the other, depending on the experimental conditions and the alloy systems. In order to account for the differences between the simulation and the experimental observation, one should consider equilibrium calculations and/or even kinetic effects.
Figure 23. Scheil Solidification using TCMG with all the phases included. (The alloy composition used here is 8.82 wt. % Al, 0.91 wt. % Zn, 0.31 wt. % Mn, Mg balance).
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Figure 24. Scheil solidification of the AZ91 alloy with only Liquid, Al8Mn5, Hcp_A3 and Al12Mg17 included. (The alloy composition used here is 8.82 wt. % Al, 0.91 wt. % Zn, 0.31 wt. % Mn, Mg balance).
Figure 25. Comparison of the simulated equilibrium and Scheil solidification profiles with experimental thermal analysis [2003, Riddle] (The alloy composition used here is 8.7 wt. % Al, 0.5 wt. % Zn, 0.26 wt. % Mn, Mg balance).
References [1989, Saunders] N. Saunders, Calculated stable and metastable phase equilibria in Al-Li-Zr alloys. Zeitschrift fur
Met. 80, 894–903 (1989). Modified by H.-L. Chen in TCMG2.0 in order to implement the new compound AlLi2.
[1992, Thorvaldsen] A. Thorvaldsen, C. A. Aliravci, Adv. Prod. Fabr. Light Met. Met. Matrix Comp., in Proceedings of the International Symposium, p. 277, (1992).
[1997, Liang] H. Liang, S. L. Chen, Y. A. Chang, A thermodynamic description of the Al-Mg-Zn system. Metall. Mater. Trans. A. 28, 1725–1734 (1997).
[1998, Liang] P. Liang et al., Experimental investigation and thermodynamic calculation of the central part of the Mg-Al phase diagram. Zeitschrift fur Met. 89, 536–540 (1998).
[2003, Riddle] Y. W. Riddle, M. M. Makhlouf, in Magnesium Technology 2003 (TMS (The Minerals, Metals & Materials Society), pp. 101–106 (2004).
[2004, Barber] L. P. Barber, Characterization of the solidification behavior and resultant microstructures of Magnesium-Aluminum alloys, Master’s thesis, Worcester Polytechnic Institute, Worcester, MA (2004).
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[2004, Dhuka] E. Dhuka, N. Lohja, H. Oettel, D. Heger, Precipitation in Mg alloy AZ61 in dependence of various heat treatments processes. Metalurgija. 10, 233–241 (2004).
[2005, Petrov] D. Petrov et al., Aluminium-Magnesium-Zinc, in Landolt-Boernstein New Series IV/11A3, pp. 191–209, (2005).
[2006, Wang] Y. Wang, G. Liu, Z. Fan, Microstructural evolution of rheo-diecast AZ91D magnesium alloy during heat treatment. Acta Mater. 54, 689–699 (2006).
[2007, Aljarrah] M. Aljarrah, M. A. Parvez, J. Li, E. Essadiqi, M. Medraj, Microstructural characterization of Mg–Al–Sr alloys. Sci. Technol. Adv. Mater. 8, 237–248 (2007).
[2007, Doernberg] E. Doernberg, A. Kozlov, R. Schmid-Fetzer, Experimental Investigation and Thermodynamic Calculation of Mg-Al-Sn Phase Equilibria and Solidification Microstructures. J. Phase Equilibria Diffus. 28, 523–535 (2007).
[2007, Guo] C. Guo, Z. Du, C. Li, A thermodynamic description of the Gd–Mg–Y system. Calphad. 31, 75–88 (2007).
[2007, Janz] A. Janz et al., Experimental study and thermodynamic calculation of Al–Mg–Sr phase equilibria. Intermetallics. 15, 506–519 (2007).
[2008, Cao] H. Cao et al., Experiments coupled with modeling to establish the Mg-rich phase equilibria of Mg–Al–Ca. Acta Mater. 56, 5245–5254 (2008).
[2009, Kabirian] F. Kabirian, R. Mahmudi, Effects of Zirconium Additions on the Microstructure of As-Cast and Aged AZ91 Magnesium Alloy. Adv. Eng. Mater. 11, 189–193 (2009).
[2009, Zhang] X. Zhang, D. Kevorkov, I.-H. Jung, M. O. Pekguleryuz, Phase equilibria on the ternary Mg–Mn–Ce system at the Mg-rich corner. J. Alloys Compd. 482, 420–428 (2009).
[2010, Wang] Y. Wang, M. Xia, Z. Fan, X. Zhou, G. E. Thompson, The effect of Al8Mn5 intermetallic particles on grain size of as-cast Mg–Al–Zn AZ91D alloy. Intermetallics. 18, 1683–1689 (2010).
[2011, Qi] H.Y. Qi, Thermodynamic assessment of the Gd-Mg-Nd system, unpublished work (with modifications).
[2011, Wang] P. Wang, Y. Du, S. Liu, Thermodynamic optimization of the Li–Mg and Al–Li–Mg systems. Calphad. 35, 523–532 (2011).
[2011, Wu] L. Wu, F. Pan, M. Yang, J. Wu, T. Liu, As-cast microstructure and Sr-containing phases of AZ31 magnesium alloys with high Sr contents. Trans. Nonferrous Met. Soc. China. 21, 784–789 (2011).
[2014, Bakke] D. P. Bakke, D. H. Westengen, in Essential Readings in Magnesium Technology (John Wiley & Sons, Inc., Hoboken, NJ, USA; pp. 313–318, (2014).
[2014, Zhang] F. Zhang, H. Xu, Y. Du, R. Schmid-Fetzer, T. Zhou, Phase equilibria of the Mg–La–Nd system at 500°C. J. Alloys Compd. 585, 384–392 (2014).
[2015a, Chen] H. Chen, “Thermodynamic assessment of the Gd-Mg-Zn and Mg-Y-Zn systems”, unpublished, (2015).
[2015b, Chen] H.-L. Chen, Thermodynamic assessment of the Ag-Gd-Mg system, unpublished work, (2015).
[2015c, Chen] H.-L. Chen, Thermodynamic assessment of the Cu-Mg-Y system, unpublished work, (2015).
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List of all phases included in TCMG4
LIQUID
BCC_A2
BCC_B2
B2_BCC
B2_MGR
BCT_A5
CBCC_A12
CUB_A13
DHCP
DIAMOND_A4
FCC_A1
FCC_L12
L12_FCC
HCP_A3
FE2SI
FESI2_H
FESI2_L
C14_LAVES
C15_LAVES
C36_LAVES
MG2SI
MSI_B20
M5SI3_D88
AG51R14
MG41R5
XZN13
MG3R
L21_RMGZN2
ALR_OS16
CA5X3
RM5
CU6R
XZ2_C16
X3NI
MR_B27
M2R
M3R
MG17SR2
M23R6
XR
R3ZN22
RZN11
M5R
XZ2_C37
ALR_OP16
AL11R3
R7M3
MG12R
RSI2
RZN3
AL2R3
R5SI4
M10ZR7
R3SI2
R2NI7
AG9CA2
AG7CA2
AGCA3
AG4CE
AG2GD
AG51GD14
AG5LA
AGMG4
AGMG3
AG51ND14
AG2ND_H
AG2PR
AG5PR
AG4SC
CU2SC_C11B
AGSC
AG3SN1
AG4SR
AGSR
AG2SR3
AGY
AG2Y
AG51Y4
AGZN
AGZN3
AG5ZN8
AGZR
AGZR2
AL4CA
AL14CA13
AL3CA8
AL4CE
AL3CE_H
AL3CE_L
ALCE2
ALCE3_L
ALCU_DEL
ALCU_EPS
ALCU_ETA
ALCU_PRIME
ALCU_ZETA
GAMMA_D83
GAMMA_H
AL13FE4
AL2FE
AL5FE2
AL5FE4
AL2GD3
AL3GD
ALLA3
AL53LA22
AL3LA
AL11LA3_H
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AL2LI3
ALLI2
AL4LI9
ALLI
ALMG_BETA
ALMG_EPSILON
AL12MG17_A12
LTAL11MN4
AL12MN
AL6MN
AL4MN
AL461MN107
AL8MN5_D810
HTAL11MN4
AL11ND3_H
AL3ND
ALND3
AL3NI2
AL3NI5
AL11PR3_H
AL3PR
ALPR3_L
AL3SC
AL2SC
ALSC
ALSC2
AL4SR
AL7SR8
AL3SR8
AL3Y_L
AL3Y_H
ALZR2
AL3ZR5
AL3ZR4
AL4ZR5
AL3ZR2
AL3ZR1
CACU5
CACU
CA2CU
CANI2
CA2NI7
CA3SI4
CA14SI19
CASI2
CA2SN_X
CA36SN23
CA31SN20
CA7SN6
CA3ZN
CAZN3
CU6CE
CU5CE
CU4CE
CU2CE
CEGD3
CENI3
CENI2
CEZN2
CEZN3
CE3ZN11
CE13ZN58
CEZN5
CE2ZN17
CEZN11
CU9GD2
CU7GD2
CU37LA3
CU6LA_L
CU4LA
CU2LA
CUMG2
CU4ND
CU7ND2
CUND_H
CU6PR
CU5PR
CU4PR
CU2PR
CU4SC
CUSC
CU15SI4_EPSILON
CU56SI11_GAMMA
CUSI_ETA
CU33SI7_DELTA
CU3SN_H_GAMMA
CU10SN3
CU3SN_L
CU41SN11
ETA
CU6SN5
CUSR
CUTH2
CU2TH
CU6TH
CU51TH14
CU7Y1
CU4Y
CU7Y2
CU2Y_H
EPSILON
CUZN_GAMMA
CU51ZR14
CU8ZR3
CUZR2
FE17ND2
FE17ND5
FE17PR2
FE2SC_C14
FE2SC_C36
FE2SC_C15
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FE6SC29
FE5SN3
FE3SN2
FESN
FE17TH2
FE5TH
FE7TH2_L
FE7TH2_H
FE17Y2
FE23Y6
GAMMA_FEZN
GAMMA1_FEZN
DELTA_FEZN
ZETA_FEZN
FEZR3
GDMG5
GDND
GD3NI2
GD2NI7
GDNI4
GD5SI4
GD3SI5
GDSI2
GDZN2
GD3ZN11
GD13ZN58
GD2ZN17_L
GD2ZN17_H
GDZN12
LANI5
LA2NI7_H
LA7NI16
LA2NI3
LASI2_A1
LA5SN3_L
LA5SN4
LA11SN10
LA2SN3
LA3SN5
LAY
LI22SI5
LI13SI4
LI7SI3
LI12SI7
LI13SN5
LI22SN5
LI2SN5
LI5SN2
LI7SN3
LI8SN3
LISN
LI7SN2
LI2ZN3_L
LI2ZN3_H
LI2ZN5_L
LI2ZN5_H
LIZN4_L
LIZN4_H
LIZN2
BCC_B32
MG2NI
MG5PR
MGSC
MG38SR9
MG24Y5
MG2ZN3
MGZN
MG51ZN20
MG2ZN11
MN17ND2
L10
MNNI2
MN11SI19
MN3SI
MN6SI
MN9SI2
MN23SC6
MNSC4
MN19SN6
MN2SN
MNSN2
MN23Y6
MNZN9
ND2Y
NDZN2
ND3ZN11
ND13ZN58
ND2ZN17
NDZN11_H
NI5PR
NI7PR2
NI2PR
NI3SI_M
NI3SI_L
NI5SI2
THETA
NI3SI2
NISI
NI3SN_H
NI3SN_L
NI3SN2_H
NI3SN2_L
NI3SN4
NI17Y2
NI4Y
NI2Y1
NI2Y3
BETA_NIZN
GAMMA_NIZN
DELTA_NIZN
NI7ZR2
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NI3ZR
NI21ZR8
NI11ZR9
PR2Y
PR13ZN58
PR2ZN17_H
SC5SI3
SCSI
SC3SI5_LT
SC3SI5_HT
SI2Y_H
SI4Y5
SI5Y3_H
SI5Y3_L
SI4ZR5_H
SI2ZR
SIZR3
ZR3SN_A15
ZR5SN3
ZRSN2
SRZN5_L
THZN2
THZN4
H_RZN5
Y13ZN58
YZN2_A
YZN2_B
ZN22ZR
ZN39ZR5
ZN3ZR_L
ZN3ZR_H
ZN2ZR1
ZN2ZR3
ZNZR2
AGGDMG_T
AL9CA31ZN10
AL2CAZN2
AL13CEMG6
ALCUMG_Q
ALCUMG_S
ALCUMG_T
ALCUMG_V
AL16FEMN3
AL13FE2MN2
AL10FEMN2
ALLIMG_T
ALMGMN_T
ALMGND_T
ALMG3NI2
AL38MG58SR4
AL4MGY
ALMGZN_PHI
ALMGZN_T1
ALMGZN_Q
ALMGZN_T2
CAMGSI_T1
CA7MG6SI14
CAMGSN_T1
CA2MG6ZN3
MG5CEY
T2_CEMGZN
T4_CEMGZN
T5_CEMGZN
T6_CEMGZN
T7_CEMGZN
CULIMG_T
CU16MG6SI7
CU3MG2SI
CUMGY_T1
CUMGY_T2
CUMGY_T3
CUMGY_T4
CUMGY_T5
CUMGY_T6
CUMGY_T7
CUMGY_T8
CUMGY_T9
CUMGY_T10
CUMGY_14H
CUMGY_18R
F_MGGDZN
Z_MGRZN
M_MGRZN
L_MGRZN
LAMGNI_T1
LAMGNI_T2
LAMGNI_T3
LAMGNI_T4
LAMGNI_T5
LAMGNI_T6
LAMGSI_T1
LAMGSI_T2
LAMGSI_T3
LAMGSI_T4
LAMGSI_T5
MG6MN3NI
MGNDZN_T1
MGNDZN_T2
MGNDZN_T3
MGNDZN_T4
LPSO_14H
LPSO_18R
I_MGRZN
AL3CU2MG9SI7
TCMG4
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List of models for all the phases included in TCMG4
LIQUID
:AG AL CA CA2SN CE CU FE GD K LA LASN LI MG MG2SN MN NA ND NI PR SC SI SN SR TH Y ZN ZR ZZ:
BCC_A2
:AG AL CA CE CU FE GD K LA LI MG MN NA ND NI PR SC SI SN SR TH Y ZN ZR: VA:
2 SUBL 1 3
BCC_B2
:AG AL CA CE CU FE GD K LA LI MG MN NA ND NI PR SC SI SN SR TH Y ZN ZR:AG AL CA CE CU FE GD K LA LI MG MN NA ND NI PR SC SI SN SR TH Y ZN ZR: VA:
3 SUBL 0.5 0.5 3
B2_BCC
:AG CU NI ZN:CE GD ND Y PR ZR:
> B2 phases modeled separately from A2
2 SUBL 0.5 0.5
B2_MGR
:AL CU MG ND ZN:CA CE GD LA MG ND Y:
> LaMg, MgNd, NdZn, CeMg, CeZn, MgY, YZn, GdMg, GdZn
2 SUBL 0.5 0.5
BCT_A5
:AG AL SN ZN:
CBCC_A12
:AL CU FE MG MN NI SI SN ZN ZR: VA:
2 SUBL 1 1
CUB_A13
:AG AL CA CE CU FE MG MN NI SI SN ZN ZR: VA:
2 SUBL 1 1
DHCP
:AG AL CA CE CU GD LA MG MN ND NI PR SR Y:
DIAMOND_A4
:AL SI SN ZN:
FCC_A1
:AG AL CA CE CU FE GD K LA LI MG MN NA ND NI PR SC SI SN SR TH Y ZN ZR: VA:
2 SUBL 1 1
TCMG4
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FCC_L12
:AG AL CA CE CU FE GD K LA LI MG MN NA ND NI PR SC SI SN SR TH Y ZN ZR:AG AL CA CE CU FE GD K LA LI MG MN NA ND NI PR SC SI SN SR TH Y ZN ZR: VA:
3 SUBL 0.75 0.25 1
L12_FCC
:AL CA LA: CE PR SN:
> L12 phases modeled separately from A1
2 SUBL 1 3
HCP_A3
:AG AL CA CE CU FE GD K LA LI MG MN NA ND NI PR SC SI SN SR Y ZN ZR: VA:
2 SUBL 1 0.5
FE2SI
:FE NI: AL SI:
2 SUBL 2 1
FESI2_H
:FE NI: MG SI:
2 SUBL 3 7
FESI2_L
:FE NI: AL SI:
2 SUBL 1 2
C14_LAVES
:AL CA CU GD LI MG MN NA NI SR Y ZN: AL CA CE CU GD K LA MG MN ND PR SC SR Y ZR ZN VA:
> Al2Zr, CaLi2, CaMg2, Mg2Sr, Mg2Y, MgZn2, Mn2Zr, Na2K
2 SUBL 2 1
C15_LAVES
:AL CA CU FE GD LA LI MG MN ND NI SI Y ZN ZR: AL CA CE CU FE GD LA LI MG ND NI PR SR SI Y ZN ZR:
> Includes 18 compounds, e.g. Al2Ca, Al2Ce, Cu2Mg, Fe2Gd, Mg2Gd
2 SUBL 2 1
C36_LAVES
:AL CU FE GD MG MN NI ZN: AL CA CU GD MG NI ZN:
> MgNi2 type phase, also includes MgNi2, (Cu,Zn)2Mg, (Al,Mg)2Ca
2 SUBL 2 1
MG2SI
:MG SI: AL NI SI SN:
> This is also Si2Ni and Mg2Sn
2 SUBL 2 1
TCMG4
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MSI_B20
:FE MN: MG SI:
> FeSi and MnSi
2 SUBL 1 1
M5SI3_D88
:FE GD LA MN Y ZR: SI SN:
> Fe5Si3, Gd5Si3, Mn5Si3, Y5Si3, Zr5Si3, also LA5SN3(HT)
2 SUBL 5 3
AG51R14
:AG: CE LA PR:
> AG51PR14, AG51CE14, AG51LA14
2 SUBL 51 14
MG41R5
:MG ZN: CA CE GD LA ND PR SR Y:
> Mg41La5, Mg41Ce5, Mg41Nd5, Mg41Pr5
2 SUBL 41 5
XZN13
:CA NA SR: ZN:
> CaZn13, NaZn13, SrZn13
2 SUBL 1 13
MG3R
:LI MG ZN:CA CE GD LA MG ND PR SR Y:
> MG3CE, GDMG3, MG3ND, MG3PR, MG3LA
2 SUBL 3 1
L21_RMGZN2
:CE GD Y: MG: MG ZN:
> L21, isostructural to GdMg3: CeMgZn2, GdMgZn2, MgZn2Y, aka W
3 SUBL 1 1 2
ALR_OS16
:AL: CE GD LA PR:
> a phase based on ALCE, ALGD, ALLA, ALPR(rt)
2 SUBL 1 1
CA5X3
:CA LA: AG SI SN ZN:
> CA5SI3, CA5SN3, CA5AG3, CA5ZN3, also La5Si3
2 SUBL 5 3
RM5
:CA CE GD LA ND SR Y: AG CU NI ZN:
> Ag5Sr, Cu5La, SRZN5, GdNi5, Ni5Y, CaZn5, Cu5Nd, Cu5Sr, CeNi5, CaNi5, Cu5Gd
2 SUBL 1 5
TCMG4
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CU6R
:CU: CE ND GD LA:
> Cu6Nd, Cu6Gd & Cu6La (HT)
2 SUBL 6 1
XZ2_C16
:AG AL CU FE NI SI ZN ZR: AL FE SN TH ZR:
> FeSn2, FeZr2, CuAl2, NiZr2, SiZr2, ZnTh2
2 SUBL 1 2
X3NI
:AL GD LA NI PR Y: NI SI:
> Gd3Ni, La3Ni, Pr3Ni, Y3Ni, also Al3Ni & NI3SI(ht)
2 SUBL 3 1
MR_B27
:CU NI SI ZN:CE GD LA ND PR SR Y ZR:
> CuCe, CuLa, CuNd(rt), NiY, ZnSr, SiLa, CuPr, SiGd & SiZr(rt)
2 SUBL 1 1
M2R
:AG AL CU MG ZN: CA CE GD LA ND PR SR Y:
> Also Ag2Ca, Ag2Sr, Al2Sr, CaZn2, SrZn2, etc.
2 SUBL 2 1
M3R
:FE NI: CA GD LA MG PR Y TH:
> Ni3Pr, Fe3Gd, Fe3Y, NI3Gd, NI3La, Ni3Y, NI3Ca, Fe3Th
2 SUBL 3 1
MG17SR2
:CE GD LA ND PR SR TH Y: AL FE MG NI ZN:
> Also Ce2Mg17, La2Mg17, Ce2Fe17, Pr2Zn17, Y2Zn17, Gd2Fe17, Gd2Ni17, Th2Zn17
2 SUBL 2 17
M23R6
:AL FE MG MN: CE GD ND PR SR Y ZR:
> Fe23Gd6, Mn23Gd6, Mn23Nd6, Mn23Pr6, also Fe23Zr6, Mg23Sr6
2 SUBL 23 6
XR
:AG AL NI SI SN ZN: CA CE GD LA PR Y ZR:
> Also NiZr, AgCa, SiCa, SnCa, SiZr_H, ZnCa
2 SUBL 1 1
R3ZN22
:CE GD ND PR: ZN:
> Ce3Zn22, Gd3Zn22, Nd3Zn22, Pr3Zn22
2 SUBL 0.12 0.88
TCMG4
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RZN11
:CA ND PR: ZN:
> This is CaZn11, NdZn11_L, PrZn11
2 SUBL 1 11
M5R
:CU NI ZR: GD ZR VA:
> A phase based on Cu5Gd_L, Ni5Zr & Cu5Zr
2 SUBL 5 1
XZ2_C37
:AL SI: CA GD ND NI PR Y:
> AlPr2, AlY2, AlNd2, AlGd2, SiNi2, SiCa2
2 SUBL 1 2
ALR_OP16
:AL: ND PR:
> A phase based on AlNd & AlPr(ht)
2 SUBL 1 1
AL11R3
:AL ZN: CE LA ND PR Y:
> Al11Ce3, Al11La3_L, Al11Nd3_L, Al11Pr3_L, Zn11Pr3, Zn11Y3
2 SUBL 11 3
R7M3
:CE LA PR TH: FE NI:
> Th7Fe3, Pr7Ni3, Ce7Ni3, La7Ni3
2 SUBL 0.7 0.3
MG12R
:AL MG MN ZN: CE GD LA ND PR SR Y:
> Mg12Ce, Mg12La, Mg12Pr, also Zn12Y, Mn12Gd, Mn12Y
2 SUBL 12 1
RSI2
:LA Y: SI:
> LASI2, SI2Y(rt)
2 SUBL 1 2
RZN3
:GD ND PR Y: ZN:
> GdZn3, NdZn3, PrZn3, YZn3
2 SUBL 1 3
AL2R3
:AL: ZR Y:
> A phase based on Al2Zr3 & Al2Y3
2 SUBL 0.4 0.6
R5SI4
:LA MG ZR: SI:
> La5Si4, Si4Zr5(rt)
2 SUBL 5 4
TCMG4
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M10ZR7
:CU NI: ZR:
> Cu10Zr7, Ni10Zr7
2 SUBL 10 7
R3SI2
:LA MG ZR: SI:
> Si2Zr3, La3Si2
2 SUBL 3 2
R2NI7
:CE LA MG Y: NI:
> Ni7Y2, Ce2Ni7, La2Ni7(RT)
2 SUBL 2 7
AG9CA2
:AG: CA:
2 SUBL 0.818182 0.181818
AG7CA2
:AG: CA:
2 SUBL 0.777778 0.222222
AGCA3
:AG: CA:
2 SUBL 0.25 0.75
AG4CE
:AG: CE:
2 SUBL 4 1
AG2GD
:AG: GD:
2 SUBL 0.667 0.333
AG51GD14
:AG: GD:
2 SUBL 0.785 0.215
AG5LA
:AG: LA:
2 SUBL 5 1
AGMG4
:AG: MG:
2 SUBL 0.2 0.8
AGMG3
:AG CU: MG:
2 SUBL 0.23 0.77
AG51ND14
:AG: ND:
2 SUBL 0.785 0.215
AG2ND_H
:AG: ND:
2 SUBL 0.666667 0.333333
AG2PR
:AG: PR:
2 SUBL 2 1
TCMG4
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AG5PR
:AG: PR:
2 SUBL 5 1
AG4SC
:AG: SC:
2 SUBL 0.8 0.2
CU2SC_C11B
:AG CU: SC:
2 SUBL 2 1
AGSC
:AG: SC:
2 SUBL 0.5 0.5
AG3SN1
:AG: AG SN:
2 SUBL 0.75 0.25
AG4SR
:AG: SR:
2 SUBL 4 1
AGSR
:AG: SR:
2 SUBL 1 1
AG2SR3
:AG: SR:
2 SUBL 2 3
AGY
:AG: Y:
2 SUBL 0.5 0.5
AG2Y
:AG: Y:
2 SUBL 0.667 0.333
AG51Y4
:AG: Y:
2 SUBL 0.785 0.215
AGZN
:ZN: AG ZN:
2 SUBL 1 2
AGZN3
:AG ZN:
AG5ZN8
:AG ZN: AG:AG ZN: AG ZN:
4 SUBL 2 2 3 6
AGZR
:AG: ZR:
2 SUBL 0.5 0.5
AGZR2
:AG: ZR:
2 SUBL 0.3333 0.6667
TCMG4
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AL4CA
:AL MG: CA SR:
2 SUBL 4 1
AL14CA13
:AL MG ZN: CA:
2 SUBL 14 13
AL3CA8
:AL: CA MG:
2 SUBL 3 8
AL4CE
:AL: CE:
2 SUBL 0.8 0.2
AL3CE_H
:AL: CE:
2 SUBL 0.75 0.25
AL3CE_L
:AL: CE:
2 SUBL 0.75 0.25
ALCE2
:AL: CE:
2 SUBL 0.3333 0.6667
ALCE3_L
:AL: CE:
2 SUBL 0.25 0.75
ALCU_DEL
:AL ZN: CU FE:
2 SUBL 2 3
ALCU_EPS
:AL CU ZN NI: CU FE:
2 SUBL 1 1
ALCU_ETA
:AL CU: AG CU:
2 SUBL 1 1
ALCU_PRIME
:AL: CU:
2 SUBL 2 1
ALCU_ZETA
:AL: AG CU:
2 SUBL 9 11
GAMMA_D83
:AL SI: AL CU SI: AG CU:
3 SUBL 4 1 8
GAMMA_H
:AL: AL CU: AG CU:
3 SUBL 4 1 8
AL13FE4
:AL:FE MN: AL VA:
3 SUBL 0.6275 0.235 0.1375
TCMG4
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AL2FE
:AL: FE MN:
2 SUBL 2 1
AL5FE2
:AL: FE MN:
2 SUBL 5 2
AL5FE4
:AL FE MN:
AL2GD3
:AL: GD:
2 SUBL 2 3
AL3GD
:AL: GD:
2 SUBL 3 1
ALLA3
:AL: LA:
2 SUBL 1 3
AL53LA22
:AL: LA:
2 SUBL 0.707 0.293
AL3LA
:AL: LA:
2 SUBL 3 1
AL11LA3_H
:AL: LA:
2 SUBL 11 3
AL2LI3
:AL MG: LI:
2 SUBL 2 3
ALLI2
:AL: LI:
2 SUBL 1 2
AL4LI9
:AL: LI:
2 SUBL 4 9
ALLI
:AL LI MG: LI MG VA:
2 SUBL 1 1
ALMG_BETA
:AL ZN: LI MG:
2 SUBL 140 89
ALMG_EPSILON
:AL ZN: MG:
2 SUBL 30 23
AL12MG17_A12
:GD LI MG: AL CA MG ZN: AL MG NI ZN:
3 SUBL 10 24 24
TCMG4
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LTAL11MN4
:AL: MN FE:
2 SUBL 11 4
AL12MN
:AL: MN:
2 SUBL 12 1
AL6MN
:AL: MN FE:
2 SUBL 6 1
AL4MN
:AL: MN:
2 SUBL 4 1
AL461MN107
:AL: MN FE:
2 SUBL 461 107
AL8MN5_D810
:AL: MN: AL MN:
3 SUBL 12 5 9
HTAL11MN4
:AL MN: MN:
2 SUBL 29 10
AL11ND3_H
:AL: ND:
2 SUBL 11 3
AL3ND
:AL: ND:
2 SUBL 3 1
ALND3
:AL: ND:
2 SUBL 1 3
AL3NI2
:AL: AL MG NI: NI VA:
3 SUBL 3 2 1
AL3NI5
:AL: NI:
2 SUBL 0.375 0.625
AL11PR3_H
:AL: PR:
2 SUBL 11 3
AL3PR
:AL: PR:
2 SUBL 3 1
ALPR3_L
:AL: PR:
2 SUBL 1 3
AL3SC
:SC: AL:
2 SUBL 1 3
TCMG4
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AL2SC
:SC: AL:
2 SUBL 1 2
ALSC
:SC: AL:
2 SUBL 1 1
ALSC2
:SC: AL:
2 SUBL 2 1
AL4SR
:AL MG: CA SR:
2 SUBL 0.8 0.2
AL7SR8
:AL: CA SR:
2 SUBL 0.46667 0.53333
AL3SR8
:AL: SR:
2 SUBL 0.27273 0.72727
AL3Y_L
:AL: Y:
2 SUBL 0.75 0.25
AL3Y_H
:AL: Y:
2 SUBL 0.75 0.25
ALZR2
:AL: ZR:
2 SUBL 0.33333 0.66667
AL3ZR5
:AL: ZR:
2 SUBL 0.375 0.625
AL3ZR4
:AL: ZR:
2 SUBL 0.42857 0.57143
AL4ZR5
:AL: ZR:
2 SUBL 0.44444 0.55556
AL3ZR2
:AL: ZR:
2 SUBL 0.6 0.4
AL3ZR1
:AL: ZR:
2 SUBL 0.75 0.25
CACU5
:CA: CU:
2 SUBL 0.1667 0.8333
CACU
:CA: CU:
2 SUBL 0.5 0.5
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CA2CU
:CA: CU:
2 SUBL 0.6667 0.3333
CANI2
:CA: NI:
2 SUBL 0.333 0.667
CA2NI7
:CA: NI:
2 SUBL 0.2222 0.7778
CA3SI4
:CA: SI:
2 SUBL 0.428571 0.571429
CA14SI19
:CA: SI:
2 SUBL 0.424242 0.575758
CASI2
:CA: SI:
2 SUBL 0.333333 0.666667
CA2SN_X
:CA MG: CA: SN:
3 SUBL 1 1 1
CA36SN23
:CA: SN:
2 SUBL 36 23
CA31SN20
:CA: SN:
2 SUBL 31 20
CA7SN6
:CA: SN:
2 SUBL 7 6
CA3ZN
:CA:ZN:
2 SUBL 3 1
CAZN3
:CA: ZN:
2 SUBL 1 3
CU6CE
:CU: CE:
2 SUBL 0.857 0.143
CU5CE
:CU: CE:
2 SUBL 0.833 0.167
CU4CE
:CU: CE:
2 SUBL 0.8 0.2
CU2CE
:CU: CE:
2 SUBL 0.667 0.333
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CEGD3
:GD CE:
CENI3
:CE: NI:
2 SUBL 0.25 0.75
CENI2
:CE NI: CE NI:
2 SUBL 0.333 0.667
CEZN2
:CE: MG ZN:
2 SUBL 0.333 0.667
CEZN3
:CE: ZN:
2 SUBL 0.25 0.75
CE3ZN11
:CE: MG ZN:
2 SUBL 0.214 0.786
CE13ZN58
:CE: ZN:
2 SUBL 0.183 0.817
CEZN5
:CE: MG ZN:
2 SUBL 0.167 0.833
CE2ZN17
:CE: MG ZN:
2 SUBL 0.105 0.895
CEZN11
:CE: MG ZN:
2 SUBL 8.3E-2 0.917
CU9GD2
:CU: GD:
2 SUBL 0.818182 0.181818
CU7GD2
:CU: GD:
2 SUBL 0.777778 0.222222
CU37LA3
:CU: LA:
2 SUBL 37 3
CU6LA_L
:CU: LA:
2 SUBL 6 1
CU4LA
:CU: LA:
2 SUBL 4 1
CU2LA
:CU: LA:
2 SUBL 2 1
TCMG4
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CUMG2
:AG CU NI: MG:
2 SUBL 1 2
CU4ND
:CU: ND:
2 SUBL 0.8 0.2
CU7ND2
:CU: ND:
2 SUBL 0.7777778 0.2222222
CUND_H
:CU: ND:
2 SUBL 0.5 0.5
CU6PR
:CU: PR:
2 SUBL 0.857 0.143
CU5PR
:CU: PR:
2 SUBL 0.833 0.167
CU4PR
:CU: PR:
2 SUBL 0.8 0.2
CU2PR
:CU: PR:
2 SUBL 0.667 0.333
CU4SC
:CU: SC:
2 SUBL 4 1
CUSC
:CU: SC:
2 SUBL 1 1
CU15SI4_EPSILON
:CU MG: AL SI:
2 SUBL 15 4
CU56SI11_GAMMA
:CU MG: SI:
2 SUBL 56 11
CUSI_ETA
:CU: SI:
2 SUBL 0.76 0.24
CU33SI7_DELTA
:CU: SI:
2 SUBL 0.825 0.175
CU3SN_H_GAMMA
:CU SN:
CU10SN3
:CU SN:
TCMG4
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CU3SN_L
:CU SN: CU SN:
2 SUBL 3 1
CU41SN11
:CU SN: CU SN:
2 SUBL 41 11
ETA
:CU: CU SN: SN:
3 SUBL 1 1 1
CU6SN5
:CU: CU SN: SN:
3 SUBL 1 1 1
CUSR
:CU: SR:
2 SUBL 0.5 0.5
CUTH2
:CU: TH:
2 SUBL 0.333 0.667
CU2TH
:CU: TH:
2 SUBL 0.667 0.333
CU6TH
:CU: TH:
2 SUBL 0.857 0.143
CU51TH14
:CU: TH:
2 SUBL 0.7826 0.2174
CU7Y1
:CU2 Y: CU:
2 SUBL 1 5
CU4Y
:CU: Y:
2 SUBL 4 1
CU7Y2
:CU: Y:
2 SUBL 7 2
CU2Y_H
:CU: Y:
2 SUBL 2 1
EPSILON
:CU MN ZN:
> including CuZn_EPS, MnZn_EPS
CUZN_GAMMA
:CU ZN: CU ZN: CU: MG ZN:
4 SUBL 2 2 3 6
TCMG4
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CU51ZR14
:CU: ZR:
2 SUBL 0.7846 0.2154
CU8ZR3
:CU: ZR:
2 SUBL 0.7273 0.2727
CUZR2
:CU: ZR:
2 SUBL 0.333 0.667
FE17ND2
:FE: ND:
2 SUBL 1 0.1176
FE17ND5
:FE: ND:
2 SUBL 1 0.2941
FE17PR2
:FE: PR:
2 SUBL 17 2
FE2SC_C14
:FE: SC:
2 SUBL 0.67 0.33
FE2SC_C36
:FE: SC:
2 SUBL 0.67 0.33
FE2SC_C15
:FE: SC:
2 SUBL 0.64 0.36
FE6SC29
:FE: SC:
2 SUBL 0.17 0.83
FE5SN3
:FE: SN:
2 SUBL 5 3
FE3SN2
:FE: SN:
2 SUBL 3 2
FESN
:FE: SN:
2 SUBL 1 1
FE17TH2
:FE: TH:
2 SUBL 0.89 0.11
FE5TH
:FE: TH:
2 SUBL 0.83 0.17
FE7TH2_L
:FE: TH:
2 SUBL 0.78 0.22
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FE7TH2_H
:FE: TH:
2 SUBL 0.78 0.22
FE17Y2
:FE: Y:
2 SUBL 1 0.1176
FE23Y6
:FE: Y:
2 SUBL 1 0.2609
GAMMA_FEZN
:FE ZN: FE ZN: FE ZN: ZN:
4 SUBL 0.154 0.154 0.231 0.461
GAMMA1_FEZN
:FE: FE ZN: ZN:
3 SUBL 0.137 0.118 0.745
DELTA_FEZN
:FE: FE ZN: ZN:ZN:
4 SUBL 5.8E-2 0.18 0.525 0.237
ZETA_FEZN
:FE VA: ZN: ZN VA:
3 SUBL 7.2E-2 0.856 7.2E-2
FEZR3
:FE ZR: FE ZR:
2 SUBL 1 3
GDMG5
:AG CA GD ND SR Y: MG ZN:
2 SUBL 1 5
GDND
:GD ND: GD ND:
2 SUBL 0.5 0.5
GD3NI2
:GD: NI:
2 SUBL 3 2
GD2NI7
:GD: NI:
2 SUBL 2 7
GDNI4
:GD: NI:
2 SUBL 1 4
GD5SI4
:GD: SI:
2 SUBL 0.5556 0.4444
GD3SI5
:GD: SI:
2 SUBL 0.375 0.625
GDSI2
:GD: SI:
2 SUBL 0.3333 0.6667
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GDZN2
:GD: ZN:
2 SUBL 0.333 0.667
GD3ZN11
:GD: ZN:
2 SUBL 0.214 0.786
GD13ZN58
:GD: MG ZN:
2 SUBL 0.183 0.817
GD2ZN17_L
:GD: ZN:
2 SUBL 0.105 0.895
GD2ZN17_H
:GD: ZN:
2 SUBL 0.105 0.895
GDZN12
:GD: ZN:
2 SUBL 7.7E-2 0.923
LANI5
:LA NI: NI LA:NI:
3 SUBL 0.16667 0.33333 0.5
LA2NI7_H
:LA: NI:
2 SUBL 2 7
LA7NI16
:LA: NI:
2 SUBL 0.3043 0.6957
LA2NI3
:LA: NI:
2 SUBL 0.4 0.6
LASI2_A1
:LA: SI:
2 SUBL 0.36 0.64
LA5SN3_L
:LA: SN:
2 SUBL 0.625 0.375
LA5SN4
:LA: SN:
2 SUBL 0.555 0.445
LA11SN10
:LA: SN:
2 SUBL 0.524 0.476
LA2SN3
:LA: SN:
2 SUBL 0.4 0.6
LA3SN5
:LA: SN:
2 SUBL 0.375 0.625
TCMG4
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LAY
:LA Y: Y:
2 SUBL 1 1
LI22SI5
:LI: SI:
2 SUBL 22 5
LI13SI4
:LI: SI:
2 SUBL 13 4
LI7SI3
:LI: SI:
2 SUBL 7 3
LI12SI7
:LI: SI:
2 SUBL 12 7
LI13SN5
:LI: SN:
2 SUBL 13 5
LI22SN5
:LI: SN:
2 SUBL 22 5
LI2SN5
:LI: SN:
2 SUBL 2 5
LI5SN2
:LI: SN:
2 SUBL 5 2
LI7SN3
:LI: SN:
2 SUBL 7 3
LI8SN3
:LI: SN:
2 SUBL 8 3
LISN
:LI: LI SN:
2 SUBL 1 1
LI7SN2
:LI SN: SN:
2 SUBL 7 2
LI2ZN3_L
:LI: LI ZN:
2 SUBL 2 3
LI2ZN3_H
:LI ZN: LI ZN:
2 SUBL 2 3
LI2ZN5_L
:LI ZN: ZN:
2 SUBL 2 5
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LI2ZN5_H
:LI ZN: ZN:
2 SUBL 2 5
LIZN4_L
:LI ZN: LI ZN:
2 SUBL 1 4
LIZN4_H
:LI ZN: LI ZN:
2 SUBL 0.2 0.8
LIZN2
:LI: ZN:
2 SUBL 1 2
BCC_B32
:LI ZN: LI ZN:
2 SUBL 1 1
MG2NI
:MG: CU NI ZN:
2 SUBL 2 1
MG5PR
:MG:PR Y:
2 SUBL 5 1
MGSC
:MG:MG SC:
2 SUBL 1 1
MG38SR9
:AL MG:CE ND SR:
2 SUBL 38 9
MG24Y5
:MG:CA CE GD LA MG ND PR Y:Y:
3 SUBL 24 4 1
MG2ZN3
:MG:AL CU ZN:
2 SUBL 2 3
MGZN
:MG:AL CU ZN:
2 SUBL 12 13
MG51ZN20
:MG:ZN:
2 SUBL 51 20
MG2ZN11
:MG:AL CU SI ZN:
2 SUBL 2 11
MN17ND2
:MN:ND:
2 SUBL 17 2
L10
:MN NI:MN NI:
2 SUBL 0.5 0.5
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MNNI2
:MN NI: NI:
2 SUBL 1 2
MN11SI19
:MN: SI:
2 SUBL 11 19
MN3SI
:MN: SI:
2 SUBL 3 1
MN6SI
:MN: SI:
2 SUBL 17 3
MN9SI2
:MN: SI:
2 SUBL 33 7
MN23SC6
:MN: SC:
2 SUBL 23 6
MNSC4
:MN: SC:
2 SUBL 0.2 0.8
MN19SN6
:MN: SN:
2 SUBL 0.76 0.24
MN2SN
:MN: SN:
2 SUBL 0.667 0.333
MNSN2
:MN: SN:
2 SUBL 0.333 0.667
MN23Y6
:MG MN: Y:
2 SUBL 23 6
MNZN9
:MN: ZN:
2 SUBL 0.1 0.9
ND2Y
:ND Y: ND Y:
2 SUBL 2 1
NDZN2
:ND: ZN:
2 SUBL 0.333 0.667
ND3ZN11
:ND: ZN:
2 SUBL 0.214 0.786
ND13ZN58
:ND: ZN:
2 SUBL 0.183 0.817
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ND2ZN17
:ND: ZN:
2 SUBL 0.105 0.895
NDZN11_H
:ND: ZN:
2 SUBL 8.33E-2 0.9167
NI5PR
:NI: PR:
2 SUBL 0.8333 0.1667
NI7PR2
:NI: PR:
2 SUBL 0.7778 0.2222
NI2PR
:NI: PR:
2 SUBL 0.6667 0.3333
NI3SI_M
:NI: SI:
2 SUBL 0.75 0.25
NI3SI_L
:NI: SI:
2 SUBL 0.76 0.24
NI5SI2
:NI: SI:
2 SUBL 0.7143 0.2857
THETA
:NI: NI VA: SI:
3 SUBL 1 1 1
NI3SI2
:NI: SI:
2 SUBL 0.6 0.4
NISI
:NI: SI:
2 SUBL 0.5 0.5
NI3SN_H
:NI SN: NI SN: NI:
3 SUBL 0.25 0.25 0.5
NI3SN_L
:NI: SN:
2 SUBL 0.75 0.25
NI3SN2_H
:NI: NI SN: SN:
3 SUBL 0.33333 0.33334 0.33333
NI3SN2_L
:SN: NI SN: NI:
3 SUBL 0.2 0.4 0.4
NI3SN4
:NI: NI SN: SN:
3 SUBL 0.25 0.25 0.5
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NI17Y2
:NI: Y:
2 SUBL 17 2
NI4Y
:NI: Y:
2 SUBL 4 1
NI2Y1
:NI: Y:
2 SUBL 2 1
NI2Y3
:NI: Y:
2 SUBL 2 3
BETA_NIZN
:NI ZN:
GAMMA_NIZN
:NI ZN:
DELTA_NIZN
:NI: ZN:
2 SUBL 0.111 0.889
NI7ZR2
:NI: ZR:
2 SUBL 7 2
NI3ZR
:NI: ZR:
2 SUBL 3 1
NI21ZR8
:NI: ZR:
2 SUBL 21 8
NI11ZR9
:NI: ZR:
2 SUBL 11 9
PR2Y
:PR Y: PR Y:
2 SUBL 2 1
PR13ZN58
:PR: ZN:
2 SUBL 0.1831 0.8169
PR2ZN17_H
:PR: ZN:
2 SUBL 2 17
SC5SI3
:SC: SI:
2 SUBL 0.625 0.375
SCSI
:SC: SI:
2 SUBL 0.5 0.5
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SC3SI5_LT
:SC: SI:
2 SUBL 0.375 0.625
SC3SI5_HT
:SC: SI:
2 SUBL 0.375 0.625
SI2Y_H
:SI: Y:
2 SUBL 2 1
SI4Y5
:SI: Y:
2 SUBL 4 5
SI5Y3_H
:SI: Y:
2 SUBL 5 3
SI5Y3_L
:SI: Y:
2 SUBL 5 3
SI4ZR5_H
:SI: ZR:
2 SUBL 4 5
SI2ZR
:SI: ZR:
2 SUBL 2 1
SIZR3
:SI: ZR:
2 SUBL 1 3
ZR3SN_A15
:ZR SN: ZR SN:
2 SUBL 3 1
ZR5SN3
:ZR: SN: SN VA:
3 SUBL 5 3 1
ZRSN2
:ZR: SN:
2 SUBL 1 2
SRZN5_L
:SR: ZN:
2 SUBL 1 5
THZN2
:TH: ZN:
2 SUBL 1 2
THZN4
:TH: ZN:
2 SUBL 1 4
H_RZN5
:GD Y: MG ZN:
2 SUBL 1 5
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Y13ZN58
:Y: ZN:
2 SUBL 13 58
YZN2_A
:Y: ZN:
2 SUBL 1 2
YZN2_B
:Y: ZN:
2 SUBL 1 2
ZN22ZR
:ZN: ZR:
2 SUBL 0.9565 4.35E-2
ZN39ZR5
:ZN: ZR:
2 SUBL 0.8864 0.1136
ZN3ZR_L
:ZN: ZR:
2 SUBL 0.75 0.25
ZN3ZR_H
:ZN: ZR:
2 SUBL 0.75 0.25
ZN2ZR1
:ZN: ZR:
2 SUBL 0.6667 0.3333
ZN2ZR3
:ZN: ZR:
2 SUBL 0.4 0.6
ZNZR2
:ZN: ZR:
2 SUBL 0.3333 0.6667
AGGDMG_T
:AG GD: MG:
2 SUBL 0.15 0.85
AL9CA31ZN10
:AL: CA: ZN:
3 SUBL 1 1 1
AL2CAZN2
:AL: CA: ZN:
3 SUBL 2 1 2
AL13CEMG6
:AL: CE: MG:
3 SUBL 13 1 6
ALCUMG_Q
:AL: CU: MG:
3 SUBL 7 3 6
ALCUMG_S
:AL SI: CU:MG:
3 SUBL 2 1 1
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ALCUMG_T
:MG: AL MG: AL CU MG ZN: AL:
4 SUBL 26 6 48 1
ALCUMG_V
:AL: CU: MG:
3 SUBL 5 6 2
AL16FEMN3
:AL: FE MN:
2 SUBL 4 1
AL13FE2MN2
:FE MN:AL:
2 SUBL 4 13
AL10FEMN2
:FE MN: AL:
2 SUBL 3 10
ALLIMG_T
:AL: LI: MG:
3 SUBL 0.53 0.33 0.14
ALMGMN_T
:AL: MG: MN:
3 SUBL 18 3 2
ALMGND_T
:AL: MG: ND:
3 SUBL 2 0.88 0.12
ALMG3NI2
:AL: NI: MG:
3 SUBL 1 2 3
AL38MG58SR4
:AL: MG: SR:
3 SUBL 38 58 4
AL4MGY
:AL MG Y: AL MG Y: MG Y:
3 SUB 0.6667 0.1667 0.1666
ALMGZN_PHI
:MG: AL ZN:
2 SUBL 21 17
ALMGZN_T1
:MG: MG AL: AL MG ZN: AL:
4 SUBL 26 6 48 1
ALMGZN_Q
:AL:MG:ZN:
3 SUBL 0.15 0.44 0.41
ALMGZN_T2
:AL: MG: ZN:
3 SUBL 0.15 0.43 0.42
CAMGSI_T1
:CA: CA MG: SI:
3 SUBL 0.3333 0.3334 0.3333
TCMG4
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CA7MG6SI14
:CA: MG: SI:
3 SUBL 0.2592593 0.2222222 0.5185185
CAMGSN_T1
:CA: MG: SN:
3 SUBL 156 94 175
CA2MG6ZN3
:CA: MG: ZN:
3 SUBL 2 6 3
MG5CEY
:MG: CE Y:
2 SUBL 5 1
T2_CEMGZN
:CE: MG: ZN:
> Ce1Mg29Zn25, T2_Ce-Mg-Zn
3 SUBL 1.8182E-2 0.527273 0.454545
T4_CEMGZN
:CE: MG: ZN:
> CeMg2.5Zn4.5, T4_Ce-Mg-Zn
3 SUBL 1 2.5 4.5
T5_CEMGZN
:CE: MG: ZN:
> Ce3Mg13Zn30, T5_Ce-Mg-Zn
3 SUBL 6.5217E-2 0.282609 0.652174
T6_CEMGZN
:CE: MG: ZN:
> CeMg2Zn13, T6_Ce-Mg-Zn
3 SUBL 6.25E-2 0.125 0.8125
T7_CEMGZN
:CE: MG: ZN:
> Ce20Mg19Zn81, T7_Ce-Mg-Zn
3 SUBL 0.166667 0.158333 0.675
CULIMG_T
:CU: LI: MG:
3 SUBL 1 8E-2 1.92
CU16MG6SI7
:CU: MG: SI:
3 SUBL 16 6 7
CU3MG2SI
:CU: MG: SI:
3 SUBL 2.74 2 1.26
CUMGY_T1
:CU: MG: Y:
> CU9MG2Y, T1_Cu-Mg-Y
3 SUBL 0.75 0.166667 8.3333E-2
TCMG4
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CUMGY_T2
:CU: MG: Y:
> CU4MGY, T2_Cu-Mg-Y
3 SUBL 4 1 1
CUMGY_T3
:CU: MG: Y:
> CU2MGY2, T3_Cu-Mg-Y
3 SUBL 2 1 2
CUMGY_T4
:CU: MG: Y:
> CUMGY, T4_Cu-Mg-Y
3 SUBL 1 1 1
CUMGY_T5
:CU: MG: Y:
> CU5MG8Y5, T5_Cu-Mg-Y
3 SUBL 0.277778 0.444444 0.277778
CUMGY_T6
:CU: MG: Y:
> CU5MG13Y5, T6_Cu-Mg-Y
3 SUBL 0.2173913 0.5652174 0.2173913
CUMGY_T7
:CU: MG: Y:
> CU18MG57Y25, T7_Cu-Mg-Y
3 SUBL 0.18 0.57 0.25
CUMGY_T8
:CU: MG: Y:
> CU5MG16Y5, T8_Cu-Mg-Y
3 SUBL 0.1923077 0.6153846 0.1923077
CUMGY_T9
:CU: MG: Y:
> CU9MG2Y, T9_Cu-Mg-Y
3 SUBL 1 4 1
CUMGY_T10
:CU: MG: Y:
> CU9MG78Y13, T10_Cu-Mg-Y
3 SUBL 9E-2 0.78 0.13
CUMGY_14H
:MG: Y: CU:
> 14H-type Cu-Mg-Y LPSO phase
3 SUBL 0.8571429 7.142857E-2 7.142857E-2
CUMGY_18R
:MG: Y: CU:
> 18R-type Cu-Mg-Y LPSO phase
3 SUBL 0.833334 8.3333E-2 8.3333E-2
TCMG4
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F_MGGDZN
:GD: MG: ZN:
>Gd20Mg19Zn81,isostructural to Ce20Mg19Zn81, aka F
3 SUBL 0.166667 0.158333 0.675
Z_MGRZN
:GD Y: MG: ZN:
> hexagonal Z phase, aka S, hP92
3 SUBL 7E-2 0.28 0.65
M_MGRZN
:GD: MG: ZN:
> hexagonal M phase, hP238, related to S/Z and L
3 SUBL 8E-2 0.28 0.64
L_MGRZN
:GD: MG: ZN:
> hexagonal L phase, hP480, related to S/Z and M
3 SUBL 0.14 0.22 0.64
LAMGNI_T1
:LA: NI: MG:
3 SUBL 0.25 0.25 0.5
LAMGNI_T2
:LA: NI: MG:
3 SUBL 0.4 0.4 0.2
LAMGNI_T3
:LA MG: NI:
2 SUBL 0.333333 0.666667
LAMGNI_T4
:LA: NI: MG:
3 SUBL 0.666666 0.166667 0.166667
LAMGNI_T5
:LA: NI: MG:
3 SUBL 0.666666 0.22 0.113334
LAMGNI_T6
:LA: MG NI:
2 SUBL 0.675 0.325
LAMGSI_T1
:LA MG: SI:
2 SUBL 0.6 0.4
LAMGSI_T2
:LA: SI: MG:
3 SUBL 0.2 0.4 0.4
LAMGSI_T3
:LA: SI: MG:
3 SUBL 0.25 0.5 0.25
LAMGSI_T4
:LA: SI: MG:
3 SUBL 0.2 3.333E-2 0.76667
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LAMGSI_T5
:LA: SI: MG:
3 SUBL 0.3293 4E-3 0.6667
MG6MN3NI
:MG: MN: NI:
3 SUBL 3 1 2
MGNDZN_T1
:MG: ND: ZN:
3 SUBL 0.35 5E-2 0.6
MGNDZN_T2
:MG: ND: ZN:
3 SUBL 0.35 0.1 0.55
MGNDZN_T3
:MG: ND: ZN:
3 SUBL 0.6 0.1 0.3
MGNDZN_T4
:MG: ND: ZN:
3 SUBL 0.3 0.15 0.55
LPSO_14H
:MG: GD Y: ZN:
3 SUBL 0.88 6E-2 6E-2
LPSO_18R
:MG: Y: ZN:
3 SUBL 0.84 8E-2 8E-2
I_MGRZN
:GD Y: MG ZN: MG ZN:
3 SUBL 0.1 0.3 0.6
AL3CU2MG9SI7
:AL: CU: MG: SI:
4 SUBL 3 2 9 7