TCS Ni-based Superalloys Database (TCNI) …...Figure 4: Calculated precipitate solvus temperature for various Ni-base superalloys compared with literature data (γ’ L1 2 unless

TCS Ni-based Superalloys Database (TCNI)Examples Collection

Document created 6/19/2020

Contents

About the Database Examples 3

TCS Ni-based Superalloys Database (TCNI) Resources 4

TCNI Validation Examples 5

Pseudo-binary Phase Diagram 6

Prediction of Phase Stability 7

Property Predictions 11

Treatment Predictions 14

Al-Hf-Ni Liquidus Solidus and Isoplethal Section 16

Surface Tension of Liquid Metallic Alloys 18

Viscosity of the Metallic Liquids 21

TCNI Calculation Examples 23

Binary Phase Diagrams 24

Ternary Isothermal Phase Diagram Sections 26

Prediction of Stable Phases 29

Heat Treatment of a GTD111 Alloy 31

Precipitation and Coarsening of a 718 Alloy 33

TCNI10 References 35

Suggested Reference for the Citation of this Database 38

Surface Tension and Viscosity Databases 38

ǀ 2 of 39

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About the Database ExamplesThere are examples available to demonstrate both the validity of the database itself as well as to demonstrate some of its calculation capabilities when combined with Thermo-Calc software and its Add-on Modules and features.

For each database, the type and number of available examples varies. In some cases an example can belong to both a validation and calculation type.

l Validation examples generally include experimental data in the plot or diagram to show how close to the predicted data sets the Thermo-Calc calculations are usually using the most recent version of the software and relevant database(s) unless otherwise specified.

l Calculation examples are intended to demonstrate a use case such as how the database and relevant software features would be applied to a heat treatment application, process metallurgy, soldering process, and so forth. In the case of heat treatment, it might include the result of calculating solidification segregation, determining homogenization temperature and then predicting the time needed to homogenize. There are many other examples specifically related to each database.

If you are interested in sharing your own examples using Thermo-Calc products in unique or surprising ways, or if you want to share your results from a peer reviewed paper, send an email to [email protected].

About the Database Examples ǀ 3 of 39

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TCS Ni-based Superalloys Database (TCNI) ResourcesInformation about the database is available on our website and in the Thermo-Calc software online help.

l Website: On our website the information is both searchable and the database specific PDFs are available to download.

l Online Help: Technical database information is included with the Thermo-Calc software online help. When in Thermo-Calc, press F1 to search for the same information as is contained in the PDF documents described. Depending on the database, there are additional examples available on the website.

Database Specific Documentation

l The TCNI: TCS Ni-based Superalloys Database Technical Information PDF document contains version specific information such as the binary and ternary assessed systems, phases, models, and properties data. It also includes a list of the included elements and summaries of the database revision history by version.

l The TCNI: TCS Ni-based Superalloys Database Examples Collection PDF document contains a series of validation examples using experimental data and a set of calculation examples showing some of the ways the database can generally be used.

l Nickel-based superalloys on the Thermo-Calc website also has a variety of information related to the use of this database.

TCS Ni-based Superalloys Database (TCNI) Resources ǀ 4 of 39

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https://www.thermocalc.com/solutions/by-material/nickel-based-alloys/


TCNI Validation Examples

Some of these phase diagrams are calculated with earlier versions of the database, so negligible differences might be observed if these are recalculated with the most recent version. The diagrams are updated where there is considerable or significant improvements.

In this section:

Pseudo-binary Phase Diagram 6

Prediction of Phase Stability 7

Property Predictions 11

Treatment Predictions 14

Al-Hf-Ni Liquidus Solidus and Isoplethal Section 16

Surface Tension of Liquid Metallic Alloys 18

Viscosity of the Metallic Liquids 21

TCNI Validation Examples ǀ 5 of 39

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Pseudo-binary Phase DiagramThis example is a type of calculated isoplethal phase diagram section of a ternary system called a pseudo-binary, meaning that the section lies precisely in the plane of constant potentials (meaning along tie-lines). It is compared with literature data.

Figure 1: Section ZrO2-Y2O3 compared with experimental data [1968, Rouanet; 1970, Noguchi; 1978, Stubican].

References

[1968, Rouanet] A. Rouanet, High-temperature solidification and phase diagrams of the ZrO2–Er2O3, ZrO2–Y2O3, and ZrO2–Yb2O3 systems (Diagrammes de solidification et diagrammes de phases de haute temperature des systemes zircone-oxyde d’ erbium, zircone-oxyde d’yttrium et. Comptes Rendus l’Academie des Sci. Ser. C Chem. 267, 1581–1584 (1968).

[1970, Noguchi] T. Noguchi, M. Mizuno, T. Yamada, The Liquidus Curve of the ZrO2-Y2O3 System as Measured by a Solar Furnace. Bull. Chem. Soc. Jpn. 43, 2614–2616 (1970).

[1978, Stubican] V. S. Stubican, R. C. HINK, S. P. RAY, Phase Equilibria and Ordering in the System ZrO2-Y2O3. J. Am. Ceram. Soc. 61, 17–21 (1978).


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Prediction of Phase StabilityThe TCS Ni-based Superalloys Database (TCNI) database is routinely validated against industrial alloy data in order to make sure alloys are still well described with each new released database version.

The following figures represent common usage examples, where the equilibrium and metastable phases present in an alloy are calculated with the variation of temperature.

Figure 2: Predicted amount of phases at varying temperatures for a Ni-18Cr-10Fe-9Co-2.8Mo-1.5Al-0.7Ti-5.3Nb-0.02C (wt. %) alloy, (A) stable phases and (B) metastable phases. Delta ( ) phase solvus measured in the range 1000-1020 °C [2005, Kennedy] and the metastable γ’ solvus measured at 963 °C [2005, Cao].


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Figure 3: Predicted amount of phases at varying temperatures for a Ni-11.5Cr-15.5Co-6.5Mo-4.3Al-4.3Ti-0.5Hf (wt. %) alloy. Experimental γ’ solvus temperature in the literature [1992, Wlodek] is close to 1150 °C and both σ and μ phases were observed at 760 °C after 1000 hours heat treatment.

Figure 4: Calculated precipitate solvus temperature for various Ni-base superalloys compared with literature data (γ’ L12 unless other precipitate specified in the legend). See the listed references for the experimental data.

References

[various] Internal reports, Thermo-Calc Software AB


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[1988, Ducrocq] C. Ducrocq, A. Lasalmonie, Y. Honnorat, in Superalloys 1988 (TMS (The Minerals, Metals & Materials Society), 1988, pp. 63–72.[1991, Sundman] B. Sundman, Modification of the two-sublattice model for liquids. Calphad. 15, 109–119 (1991).

[1991, Seaver] D. W. Seaver, A. M. Beltran, in ASME 1991 International Gas Turbine and Aeroengine Congress and Exposition (American Society of Mechanical Engineers, Orlando, Florida, USA, 1991, 7pp.

[1992, Wlodek] S. T. Wlodek, M. Kelly, D. Alden, in Superalloys 1992, R. A. M. S.D. Antolovich, R.W. Stusrud, D. L. K. D.L. Anton, T. Khan, R.D. Kissinger, Eds. (TMS (The Minerals, Metals & Materials Society), 1992; pp. 467–476.

[1996, Shibata] T. Shibata, Y. Shudo, Y. Yoshino, in Superalloys 1996 (TMS (The Minerals, Metals & Materials Society), 1996, pp. 153–162.

[1997, Yang] L. Yang, K. M. Chang, S. Mannan, J. DeBarbadill, in Superalloys 718, 625, 706 and Various Derivatives, E. A. Loria, Ed. (TMS (The Minerals, Metals & Materials Society), 1997), pp. 353–65.

[1999, Hessell] S. J. Hessell, W. Voice, A. W. James, S. A. Blackham, C. J. Small, M. R. Winstone, Nickel alloy for turbine engine components, US Patent number 5897718 (Apr 27 1999).

[2001, Copland] E. H. Copland, N. S. Jacobson, F. J. Ritzert, “Computational Thermodynamic Study to Predict Complex Phase Equilibria in the Nickel-Base Superalloy Rene N6, NASA/TM-2001-210897” (NASA, Cleveland, OH, USA, 2001), 46pp.

[2001, Zhao] J.-C. Zhao, V. Ravikumar, A. M. Beltran, Phase precipitation and phase stability in nimonic 263. Metall. Mater. Trans. A. 32, 1271–1282 (2001).[2004, Hermann] W. Hermann, M. Fahrmann, H.-G. Sockel, in Superalloys 2004 (TMS (The Minerals, Metals & Materials Society), 2004, pp. 517–522.

[2004, Hermann] W. Hermann, M. Fahrmann, H.-G. Sockel, in Superalloys 2004 (TMS (The Minerals, Metals & Materials Society), 2004, pp. 517–522.

[2004, Mitchell] R. J. Mitchell, M. C. Hardy, M. Preuss, S. Tin, in Superalloys 2004 (TMS (The Minerals, Metals & Materials Society), 2004, pp. 361–370.

[2004, Stolz] D. S. Stolz, “Effect of a supersolvus heat treatment on the microstructure and mechanical properties of a powder metallurgy processed nickel-base superalloy”, PhD thesis, University of Florida (2004).

[2005, Cao] W.-D. Cao, in Superalloys 718, 625, 706 and Various Derivatives, E. A. Loria, Ed. (TMS (The Minerals, Metals & Materials Society), 2005, p. 165.[2007, Hallstedt] B. Hallstedt, N. Dupin, M. Hillert, L. Höglund, H. L. Lukas, J. C. Schuster, and N. Solak. Thermodynamic models for crystalline phases. Composition dependent models for volume, bulk modulus and thermal expansion, Calphad 31.1, 28-37 (2007).


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[2005, Kennedy] R. L. Kennedy, in Superalloys 718, 625, 706 and Derivatives, E. A. Loria, Ed. (TMS (The Minerals, Metals & Materials Society), 2005, p. 1-14.

[2010, Frank] R. B. Frank, C. G. Roberts, J. Zhang, in 7th International Symposium on Superalloy 718 and Derivatives (TMS (The Minerals, Metals & Materials Society), 2010; pp. 725–736.

[2012, Zlá] S. Zlá, B. Smetana, M. Žaludová, J. Dobrovská, V. Vodárek, K. Konečná, V. Matějka, H. Francová, Determination of thermophysical properties of high temperature alloy IN713LC by thermal analysis. J. Therm. Anal. Calorim. 110, 211–219 (2012).

[2017, Zheng] L. Zheng, T. L. Lee, N. Liu, Z. Li, G. Zhang, J. Mi, P. S. Grant, Numerical and physical simulation of rapid microstructural evolution of gas atomised Ni superalloy powders. Mater. Des. 117, 157–167 (2017).

[2019, MacDonald] J. E. MacDonald, R. H. U. Khan, M. Aristizabal, K. E. A. Essa, M. J. Lunt, M. M. Attallah, Influence of powder characteristics on the microstructure and mechanical properties of HIPped CM247LC Ni superalloy. Mater. Des. 174, 107796 (2019).


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Property PredictionsThe TCS Ni-based Superalloys Database (TCNI) database is validated against experimental data of phase composition, and other properties related to the molar volume of phases.

Table 1. Predicted compositions of γ and γ' as well as the fraction in two Ni-base alloys compared with measurements (in brackets) from the literature [2008, Sudbrack].

at.% Ni Al Cr W Experimental γ' fraction

Predicted γ' fraction

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) - 18.9 15.8

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) 1.21

(3.00) 30.8 30.5

Figure 5: Composition of the (A) γ-A1 and (B) β-B2 phases of Ni-24Al-15Cr-19Co alloy calculated and measured by EPMA [2015, Gheno].


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Figure 6: 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 experimental values from the literature [2006, Fang].

Figure 7: Predicted lattice parameters of disordered FCC of Inconel 600 at varying temperatures compared to X-ray diffraction data [2004, Raju]. At low temperature the calculation gives, besides the disordered FCC, also an ordered L12 phase, which causes the kink in the curve.


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Figure 8: Predicted γ/γ’ lattice mismatch of a Ni-0.6Mo-0.92Ta-12.5Al-1.83Ti-10.5Cr-3.3W (at. %) compared to experimental data [1985, Nathal].

References

[1985, Nathal] M. V Nathal, R. A. Mackay, R. G. Garlick, Temperature dependence of γ-γ’ lattice mismatch in Nickel-base superalloys. Mater. Sci. Eng. 75, 195–205 (1985).

[2004, Raju] S. Raju et al., Thermal expansion studies on Inconel-600 by high temperature X-ray diffraction. J. Nucl. Mater. 325, 18–25 (2004).

[2006, Fang] L. Fang, Y. F. Wang, F. Xiao, Z. N. Tao, K. MuKai, Density of liquid NiCrAlMo quarternary alloys measured by a modified sessile drop method. Mater. Sci. Eng. B. 132, 164–169 (2006).

[2008, Sudbrack] C. K. Sudbrack, T. D. Ziebell, R. D. Noebe, D. N. Seidman, Effects of a tungsten addition on the morphological evolution, spatial correlations and temporal evolution of a model Ni–Al–Cr superalloy. Acta Mater. 56, 448–463 (2008).

[2015, Gheno] T. Gheno, X. L. Liu, G. Lindwall, Z.-K. Liu, B. Gleeson, Experimental study and thermodynamic modeling of the Al–Co–Cr–Ni system. Sci. Technol. Adv. Mater. 16, 055001 (2015).


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Treatment PredictionsThe equilibrium conditions of heat treatments with the presence of gaseous species can also be predicted, for example oxidation or sulfidation treatments.

Figure 9: Oxide scale formed on Ni-18Cr alloy at 1000 °C (A) calculated (B) experiments for 20 hours in 1.0 atm O2 [1970, Goebel].

Figure 10: Sulfidized Ni-18Cr alloy at 1000 °C (A) calculated (B) experiments for 200 seconds in aS=3.2e-3 [1970, Goebel]. The surface sulfide layer contains particles of CrS (dark grey) and gamma-Ni (light) in a matrix of NiS.

Reference


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[1970, Goebel] J. A. Goebel, F. S. Pettit, The influence of sulfides on the oxidation behavior of nickel-base alloys. Metall. Trans. 1, 3421–3429 (1970).[1978, Stubican] V. S. Stubican, R. C. HINK, S. P. RAY, Phase Equilibria and Ordering in the System ZrO2-Y2O3. J. Am. Ceram. Soc. 61, 17–21 (1978).


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Al-Hf-Ni Liquidus Solidus and Isoplethal SectionThese examples display recent improvements to the Al-Hf-Ni system.

Liquidus Solidus

Figure 11: Calculated liquidus and solidus for Al-Hf-Ni with increasing Al-content, for varying amounts of Hf, compared with literature data [1999, Miura].

Isoplethal Section

Figure 12: Calculated isoplethal section of Al-Hf-Ni system at 50 at% Ni compared with literature data: [1990, Takeyama] unless otherwise specified [1981, Nash].

References


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[1981, Nash] P. Nash, D. R. F. West, Phase equilibria in Ni-rich region of Ni–Al–Hf system. Met. Sci. 15, 347–352 (1981).

[1990, Takeyama] M. Takeyama, C. T. Liu, Microstructures and mechanical properties of NiAl–Ni 2 AlHf alloys. J. Mater. Res. 5, 1189–1196 (1990).

[1999, Miura] S. Miura, Y.M. Hong, T. Suzuki, and Y. Mishima, ”Liquidus and Solidus Temperatures of Ni-Solid Solution in Ni-Al-X (X: Ti, Zr, and Hf) Ternary Systems”, J. Phase Equilb.20(3), 1999, pp 193-198.


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Surface Tension of Liquid Metallic Alloys

The surface tension of liquid metallic alloys is included with TCS Ni-based Superalloys Database (TCNI) as of version 10 (TCNI10).

The first figure includes surface tension in the calculations to demonstrate the iso-surface curves of the Cu-Fe-Ni system at 1800 K. Figure 14 further shows the surface tension of CMSX4 and CMSX10 alloys as a function of temperature along with the experimental data as indicated in the text.

Cu-Fe-Ni Iso-Surface Curves

Figure 13: The iso-surface curves of the Cu-Fe-Ni system at 1800 K plotted in the Graphical Mode of Thermo-Calc and with TC-Python. The experimental data are from Brillo et al. [2006].


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Surface Tension of CMSX4 and CMSX10 Alloys

Figure 14: The surface tension of CMSX4 and CMSX10 alloys with the experimental data as described in the text.

For the Figure 14, the experimental data for CMSX10 are taken from:

l Wunderlich et al. [2017] measured with oscillating drop method during parabolic flights,

l Mohr et al. [2020], measured with oscillating drop method at the ISS space station,

l Amore et al. [2016], measured with pinned drop method and

l Li et al. [2005], measured with sessile drop method.

The experimental data for CMSX4 are taken from:

l Ricci et al. [2007], measured with sessile drop method, pinned drop method under Ar and under vacuum

l Vinet et al. [2004], measured with oscillating drop method and

l Li et al. [2005] measured with sessile drop method.

References

[2004, Vinet] B. Vinet, S. Schneider, J. P. Garandet, B. Marie, B. Drevet, I. Egry, "Surface Tension Measurements on CMSX-4 Superalloy by the Drop-Weight and Oscillating-Drop Methods," Int. J. Thermophys. 25, 1889–1903 (2004).

[2005, Li] Z. Li, K. C. Mills, M. McLean, K. Mukai, "Measurement of the density and surface tension of Ni-based superalloys in the liquid and mushy states," Metall. Mater. Trans. B. 36, 247–254 (2005).


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[2006, Brillo] J. Brillo, I. Egry, T. Matsushita, "Density and Surface Tension of Liquid Ternary Ni–Cu–Fe Alloys," Int. J. Thermophys. 27, 1778–1791 (2006).

[2007, Ricci] E. Ricci, D. Giuranno, R. Novakovic, T. Matsushita, S. Seetharaman, R. Brooks, L. A. Chapman, P. N. Quested, "Density, Surface Tension, and Viscosity of CMSX-4® Superalloy," Int. J. Thermophys. 28, 1304–1321 (2007).

[2016, Amore] S. Amore, F. Valenza, D. Giuranno, R. Novakovic, G. Dalla Fontana, L. Battezzati, E. Ricci, "Thermophysical properties of some Ni-based superalloys in the liquid state relevant for solidification processing," J. Mater. Sci. 51, 1680–1691 (2016).

[2017, Wunderlich] R. K. Wunderlich, H.-J. Fecht, G. Lohöfer, "Surface Tension and Viscosity of the Ni-Based Superalloys LEK94 and CMSX-10 Measured by the Oscillating Drop Method on Board a Parabolic Flight," Metall. Mater. Trans. B. 48, 237–246 (2017).

[2020, Mohr] M. Mohr, R. Wunderlich, Y. Dong, D. Furrer, H.-J. Fecht, "Thermophysical Properties of Advanced Ni-Based Superalloys in the Liquid State Measured on Board the International Space Station," Adv. Eng. Mater. 22, 1901228 (2020).


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Viscosity of the Metallic Liquids

The surface tension of liquid metallic alloys is included with TCS Ni-based Superalloys Database (TCNI) as of version 10 (TCNI10).

Fe-Ni and Cr-Ni Isoviscosity Curves

The viscosity curves of Fe-Ni and Cr-Ni systems at 1873 K and a comparison to experimental data are shown in Figure 15 and Figure 16, respectively.

Figure 15: Isoviscosity curve for Fe-Ni system at 1873 K. Experimental data is from Sato [2005].

Figure 16: Isoviscosity curve of Cr-Ni system at 1873 K. Experimental data is from Sato [2011].


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Cr-Fe-Ni Isoviscosity Curve

The viscosity of Cr-Fe-Ni ternary system at 1800 K is calculated from assessed binary parameters and is shown in Figure 17.

Figure 17: Isoviscosity of Cr-Fe-Ni at 1800 K. The viscosity values are in milli-Pascal.second. Experimental data is from Kobatake [2013, 2018] and Sroka [1982].

References

[1982, Sroka] M. Sroka, J. Skala, Freib. Forschungsh. 229, 17 (1982).

[2005, Sato] Y. Sato, K. Sugisawa, D. Aoki, T. Yamamura, "Viscosities of Fe–Ni, Fe–Co and Ni–Co binary melts," Meas. Sci. Technol. 16, 363–371 (2005).

[2011, Sato] Y. Sato, "Representation of the Viscosity of Molten Alloy as a Function of the Composition and Temperature," Jpn. J. Appl. Phys. 50, 11RD01 (2011).

[2013, Kobatake] H. Kobatake, J. Brillo, "Density and viscosity of ternary Cr–Fe–Ni liquid alloys," J. Mater. Sci. 48, 6818–6824 (2013).

[2018, Kobatake] H. Kobatake, J. Brillo, Surface tension and viscosity measurement of ternary Cr-Fe-Ni liquid alloys measured under microgravity during parabolic flights. High Temp. - High Press. 47, 465–477 (2018).


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TCNI Calculation Examples

Some of these phase diagrams are calculated with earlier versions of the database, so negligible differences might be observed if these are recalculated with the most recent version. The diagrams are updated where there is considerable or significant improvements.

In this section:

Binary Phase Diagrams 24

Ternary Isothermal Phase Diagram Sections 26

Prediction of Stable Phases 29

Heat Treatment of a GTD111 Alloy 31

Precipitation and Coarsening of a 718 Alloy 33

TCNI Calculation Examples ǀ 23 of 39

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Binary Phase DiagramsEvery binary system in the database is assessed to accurately describe experimental phase diagram data available in the literature. These examples are of calculated binary phase diagrams, which can be created in Thermo-Calc using the BINARY module in Console Mode and the Binary Calculator in Graphical Mode.

Figure 18: Phase diagram calculated for the Al-Fe system [1993, Seiersten].

Figure 19: Phase diagram calculated for the Al-Ni system [1997, Ansara].

References

[1993, Seiersten] E. M. Seiersten, “Sintef report STF28F93051” (1993).


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[1997, Ansara] I. Ansara, N. Dupin, H. L. Lukas, B. Sundman, Thermodynamic assessment of the Al-Ni system. J. Alloys Compd. 247, 20–30 (1997).


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Ternary Isothermal Phase Diagram SectionsMany ternary systems pertaining to Ni-base superalloys are assessed to fit experimental data available in literature. These examples are of calculated ternary isothermal phase diagram sections, which can be created in Thermo-Calc using the TERNARY module in Console Mode and the Ternary Calculator in Graphical Mode.

Al-Cr-Ni

Figure 20: Isothermal section of the Al-Cr-Ni system [2001, Dupin] calculated at 1273 K.

Ni-Re-W

Figure 21: Isothermal section of the Ni-Re-W system calculated at 1273 K.


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Co-Cr-Mo

Figure 22: Isothermal section of the Co-Cr-Mo system calculated at 1273 K.

Mo-Ni-Re

Figure 23: Isothermal section of the Mo-Ni-Re system calculated at 1273 K.


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Nb-Ni-Ti

Figure 24: Isothermal section of the Nb-Ni-Ti system calculated at 1173 K.

Reference

[2001, Dupin] N. Dupin, I. Ansara, B. Sundman, Thermodynamic re-assessment of the ternary system Al-Cr-Ni. Calphad. 25, 279–298 (2001).


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Prediction of Stable PhasesWith so many binary and ternary systems assessed, many multicomponent alloys can be accurately described with the TCNI database. This example calculates the metastable phases in an 718-type alloy when the stable phase is suspended.

Ni-18Cr-18Fe-3Mo-0.5Al-1Ti-5.3Nb-0.02C Alloy

Figure 25: Predicted amount of phases (metastable calculation) at varying temperatures for a Ni-18Cr-18Fe-3Mo-0.5Al-1Ti-5.3Nb-0.02C (wt. %) alloy.


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Ni-10Cr-5Al

Figure 26: Calculated phase stability diagram of Ni-10Cr-5Al in the presence of SO2 gas at 600 °C.


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Heat Treatment of a GTD111 Alloy The add-on Diffusion Module (DICTRA) can be used to simulate diffusion and phase transitions in selected regions of materials during heat treatments. Below is an example simulating the heat treatment of a GTD111 alloy with an Al-Ni B2 coating for 96 hours at 1050 °C. The simulation regards a 500 nm region of coating on a 500 nm region of sample.

Figure 27: Diffusion Module (DICTRA) results from the simulation of a GTD111 alloy with B2 coating for 96 hours at 1050 °C, showing the evolution of the profile of (A) Al composition, (B) Cr composition, (C) Ti composition, all compared with experimental data by Perez et al. [2006, Perez]. (D) Present phases at the final time of simulation.

Reference


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[2006, Perez] E. Perez, T. Patterson, Y. Sohn, "Interdiffusion analysis for NiAl versus superalloys diffusion couples," J. Phase Equilibria Diffus. 27, 659–664 (2006).


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Precipitation and Coarsening of a 718 Alloy The Precipitation Module (TC-PRISMA) can be used to simulate co-precipitation and coarsening of precipitates, shown below for 718-type alloys.

As part of the simulation set up, these Precipitation Calculator settings are used in the calculation:

l Cubic elastic properties in matrix phase, c11 = 225.0412, c12 = 110.8412, c44 = 57.1 GPa

l Interfacial energy for γ" 0.016 J/m2, and for γ' 0.014 at 998 and 973 K, 0.012 at 1023 K, and l Transformation strain for γ" : ε11 = ε22 = 0.00667, ε33 = 0.0286.

Results of particle size are sensitive to the value of interfacial energy.

Figure 28: (left) Calculated plate diameter/particle length of γ'' precipitates in 718 alloy compared with data in the literature [2008, Devaux; 1992, Sundaraman; 1982, Han]. Where "modified" indicates that literature data was doubled with the possibility that reported values are half the major axis, as noted by Wu et al. [2018, Wu]. (right) Mean γ' particle radius in 718-type alloy compared with data by Sundaraman et al. at 1023 K [1992, Sundaraman], and Han et al. at 998 and 973 K [1982, Han].


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Figure 29: Volume fraction of precipitates simulated for 718-type alloy at 1023 K for 200 hours for a composition based on Sundaraman et. al [1992, Sundaraman]. Note that time scale is logarithmic.

References

[1982, Han] Y. Han, P. Deb, M. C. Chaturvedi, "Coarsening behaviour of γ″- and γ′-particles in Inconel alloy 718," Met. Sci. 16(12), 555–562 (1982).

[1992, Sundaraman] M. Sundararaman, P. Mukhopadhyay, S. Banerjee, "Some aspects of the precipitation of metastable intermetallic phases in INCONEL 718," Metall. Trans. A. 23, 2015–2028 (1992).

[2008, Devaux] A. Devaux, L. Nazé, R. Molins, A. Pineau, A. Organista, J. Y. Guédou, J. F. Uginet, P. Héritier, Gamma double prime precipitation kinetic in Alloy 718. Mater. Sci. Eng. A. 486, 117–122 (2008).

[2018, Wu] K. Wu, Q. Chen, P. Mason, Simulation of Precipitation Kinetics with Non-Spherical Particles. J. Phase Equilibria Diffus. 39, 571–583 (2018).


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TCNI10 References

This section is a collation of references related to the database diagrams and plots. There are additional references specific to the database itself that can be listed when using the database within Thermo-Calc.

[1968, Rouanet] A. Rouanet, High-temperature solidification and phase diagrams of the ZrO2–Er2O3, ZrO2–Y2O3, and ZrO2–Yb2O3 systems (Diagrammes de solidification et diagrammes de phases de haute temperature des systemes zircone-oxyde d’ erbium, zircone-oxyde d’yttrium et. Comptes Rendus l’Academie des Sci. Ser. C Chem. 267, 1581–1584 (1968).

[1970, Goebel] J. A. Goebel, F. S. Pettit, The influence of sulfides on the oxidation behavior of nickel-base alloys. Metall. Trans. 1, 3421–3429 (1970).[1978, Stubican] V. S. Stubican, R. C. HINK, S. P. RAY, Phase Equilibria and Ordering in the System ZrO2-Y2O3. J. Am. Ceram. Soc. 61, 17–21 (1978).

[1970, Noguchi] T. Noguchi, M. Mizuno, T. Yamada, The Liquidus Curve of the ZrO2-Y2O3 System as Measured by a Solar Furnace. Bull. Chem. Soc. Jpn. 43, 2614–2616 (1970).

[1981, Nash] P. Nash, D. R. F. West, Phase equilibria in Ni-rich region of Ni–Al–Hf system. Met. Sci. 15, 347–352 (1981).

[1982, Han] Y. Han, P. Deb, M. C. Chaturvedi, "Coarsening behaviour of γ″- and γ′-particles in Inconel alloy 718," Met. Sci. 16, 555–562 (1982).

[1985, Hillert] M. Hillert, B. Jansson, B. Sundman, J. Ågren, A two-sublattice model for molten solutions with different tendency for ionization. Metall. Trans. A. 16, 261–266 (1985).

[1985, Nathal] M. V Nathal, R. A. Mackay, R. G. Garlick, Temperature dependence of γ-γ’ lattice mismatch in Nickel-base superalloys. Mater. Sci. Eng. 75, 195–205 (1985).

[1988, Ducrocq] C. Ducrocq, A. Lasalmonie, Y. Honnorat, in Superalloys 1988 (TMS (The Minerals, Metals & Materials Society), 1988, pp. 63–72.[1991, Sundman] B. Sundman, Modification of the two-sublattice model for liquids. Calphad. 15, 109–119 (1991).

[1990, Takeyama] M. Takeyama, C. T. Liu, Microstructures and mechanical properties of NiAl–Ni 2 AlHf alloys. J. Mater. Res. 5, 1189–1196 (1990).

[1991, Seaver] D. W. Seaver, A. M. Beltran, in ASME 1991 International Gas Turbine and Aeroengine Congress and Exposition (American Society of Mechanical Engineers, Orlando, Florida, USA, 1991, 7pp.

[1992, Sundaraman] M. Sundararaman, P. Mukhopadhyay, S. Banerjee, "Some aspects of the precipitation of metastable intermetallic phases in INCONEL 718," Metall. Trans. A. 23, 2015–2028 (1992).

TCNI10 References ǀ 35 of 39

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[1992, Wlodek] S. T. Wlodek, M. Kelly, D. Alden, in Superalloys 1992, R. A. M. S.D. Antolovich, R.W. Stusrud, D. L. K. D.L. Anton, T. Khan, R.D. Kissinger, Eds. (TMS (The Minerals, Metals & Materials Society), 1992; pp. 467–476.

[1993, Seiersten] E. M. Seiersten, “Sintef report STF28F93051” (1993).

[1996, Shibata] T. Shibata, Y. Shudo, Y. Yoshino, in Superalloys 1996 (TMS (The Minerals, Metals & Materials Society), 1996, pp. 153–162.

[1997, Ansara] I. Ansara, N. Dupin, H. L. Lukas, B. Sundman, Thermodynamic assessment of the Al-Ni system. J. Alloys Compd. 247, 20–30 (1997).

[1997, Yang] L. Yang, K. M. Chang, S. Mannan, J. DeBarbadill, in Superalloys 718, 625, 706 and Various Derivatives, E. A. Loria, Ed. (TMS (The Minerals, Metals & Materials Society), 1997), pp. 353–65.

[1999, Hessell] S. J. Hessell, W. Voice, A. W. James, S. A. Blackham, C. J. Small, M. R. Winstone, Nickel alloy for turbine engine components, US Patent number 5897718 (Apr 27 1999).

[1999, Miura] S. Miura, Y.M. Hong, T. Suzuki, and Y. Mishima, ”Liquidus and Solidus Temperatures of Ni-Solid Solution in Ni-Al-X (X: Ti, Zr, and Hf) Ternary Systems”, J. Phase Equilb.20(3), 1999, pp 193-198.

[2000, Dupin] N. Dupin, Private communication, unpublished work.

[2001, Copland] E. H. Copland, N. S. Jacobson, F. J. Ritzert, “Computational Thermodynamic Study to Predict Complex Phase Equilibria in the Nickel-Base Superalloy Rene N6, NASA/TM-2001-210897” (NASA, Cleveland, OH, USA, 2001), 46pp.

[2001, Dupin] N. Dupin, I. Ansara, B. Sundman, Thermodynamic re-assessment of the ternary system Al-Cr-Ni. Calphad. 25, 279–298 (2001).

[2001, Hillert] M. Hillert, The compound energy formalism (1). J. Alloys Compd. 320, 161–176 (2001).

[2001, Zhao] J.-C. Zhao, V. Ravikumar, A. M. Beltran, Phase precipitation and phase stability in nimonic 263. Metall. Mater. Trans. A. 32, 1271–1282 (2001).

[2004, Hermann] W. Hermann, M. Fahrmann, H.-G. Sockel, in Superalloys 2004 (TMS (The Minerals, Metals & Materials Society), 2004, pp. 517–522.

[2004, Mitchell] R. J. Mitchell, M. C. Hardy, M. Preuss, S. Tin, in Superalloys 2004 (TMS (The Minerals, Metals & Materials Society), 2004, pp. 361–370.

[2004, Raju] S. Raju, K. Sivasubramanian, R. Divakar, G. Panneerselvam, A. Banerjee, E. Mohandas, M. . Antony, Thermal expansion studies on Inconel-600® by high temperature X-ray diffraction. J. Nucl. Mater. 325, 18–25 (2004).

[2004, Stolz] D. S. Stolz, “Effect of a supersolvus heat treatment on the microstructure and mechanical properties of a powder metallurgy processed nickel-base superalloy”, PhD thesis, University of Florida (2004).


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[2005, Cao] W.-D. Cao, in Superalloys 718, 625, 706 and Various Derivatives, E. A. Loria, Ed. (TMS (The Minerals, Metals & Materials Society), 2005, p. 165.

[2005, Kennedy] R. L. Kennedy, in Superalloys 718, 625, 706 and Derivatives, E. A. Loria, Ed. (TMS (The Minerals, Metals & Materials Society), 2005, p. 1-14.

[2006, Fang] L. Fang, Y. F. Wang, F. Xiao, Z. N. Tao, K. MuKai, Density of liquid NiCrAlMo quarternary alloys measured by a modified sessile drop method. Mater. Sci. Eng. B. 132, 164–169 (2006).

[2006, Perez] E. Perez, T. Patterson, Y. Sohn, "Interdiffusion analysis for NiAl versus superalloys diffusion couples," J. Phase Equilibria Diffus. 27, 659–664 (2006).

[2007, Hallstedt] B. Hallstedt, N. Dupin, M. Hillert, L. Höglund, H. L. Lukas, J. C. Schuster, and N. Solak. Thermodynamic models for crystalline phases. Composition dependent models for volume, bulk modulus and thermal expansion, Calphad 31.1, 28-37 (2007).

[2008, Devaux] A. Devaux, L. Nazé, R. Molins, A. Pineau, A. Organista, J. Y. Guédou, J. F. Uginet, P. Héritier, Gamma double prime precipitation kinetic in Alloy 718. Mater. Sci. Eng. A. 486, 117–122 (2008).

[2008, Sudbrack] C. K. Sudbrack, T. D. Ziebell, R. D. Noebe, D. N. Seidman, Effects of a tungsten addition on the morphological evolution, spatial correlations and temporal evolution of a model Ni–Al–Cr superalloy. Acta Mater. 56, 448–463 (2008).

[2010, Frank] R. B. Frank, C. G. Roberts, J. Zhang, in 7th International Symposium on Superalloy 718 and Derivatives (TMS (The Minerals, Metals & Materials Society), 2010; pp. 725–736.

[2012, Zlá] S. Zlá, B. Smetana, M. Žaludová, J. Dobrovská, V. Vodárek, K. Konečná, V. Matějka, H. Francová, Determination of thermophysical properties of high temperature alloy IN713LC by thermal analysis. J. Therm. Anal. Calorim. 110, 211–219 (2012).

[2015, Gheno] T. Gheno, X. L. Liu, G. Lindwall, Z.-K. Liu, B. Gleeson, Experimental study and thermodynamic modeling of the Al–Co–Cr–Ni system. Sci. Technol. Adv. Mater. 16, 055001 (2015).

[2017, Zheng] L. Zheng, T. L. Lee, N. Liu, Z. Li, G. Zhang, J. Mi, P. S. Grant, Numerical and physical simulation of rapid microstructural evolution of gas atomised Ni superalloy powders. Mater. Des. 117, 157–167 (2017).

[2018, Wu] K. Wu, Q. Chen, P. Mason, Simulation of Precipitation Kinetics with Non-Spherical Particles. J. Phase Equilibria Diffus. 39, 571–583 (2018).

[2019, MacDonald] J. E. MacDonald, R. H. U. Khan, M. Aristizabal, K. E. A. Essa, M. J. Lunt, M. M. Attallah, Influence of powder characteristics on the microstructure and mechanical properties of HIPped CM247LC Ni superalloy. Mater. Des. 174, 107796 (2019).


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Suggested Reference for the Citation of this Database

[2012, Bratberg] J. Bratberg, H-H. Mao, L. Kjellqvist, A. Engström, P. K. Mason, and Q. Chen. The Development and Validation of a New Thermodynamic Database for Ni-Based Alloys. Proceedings of the International Symposium on Superalloys 2012. 21, 803–812.

Surface Tension and Viscosity Databases

Surface Tension

[2004, Vinet] B. Vinet, S. Schneider, J. P. Garandet, B. Marie, B. Drevet, I. Egry, "Surface Tension Measurements on CMSX-4 Superalloy by the Drop-Weight and Oscillating-Drop Methods," Int. J. Thermophys. 25, 1889–1903 (2004).

[2005, Li] Z. Li, K. C. Mills, M. McLean, K. Mukai, "Measurement of the density and surface tension of Ni-based superalloys in the liquid and mushy states," Metall. Mater. Trans. B. 36, 247–254 (2005).

[2006, Brillo] J. Brillo, I. Egry, T. Matsushita, "Density and Surface Tension of Liquid Ternary Ni–Cu–Fe Alloys," Int. J. Thermophys. 27, 1778–1791 (2006).

[2007, Ricci] E. Ricci, D. Giuranno, R. Novakovic, T. Matsushita, S. Seetharaman, R. Brooks, L. A. Chapman, P. N. Quested, "Density, Surface Tension, and Viscosity of CMSX-4® Superalloy," Int. J. Thermophys. 28, 1304–1321 (2007).

[2016, Amore] S. Amore, F. Valenza, D. Giuranno, R. Novakovic, G. Dalla Fontana, L. Battezzati, E. Ricci, "Thermophysical properties of some Ni-based superalloys in the liquid state relevant for solidification processing," J. Mater. Sci. 51, 1680–1691 (2016).

[2017, Wunderlich] R. K. Wunderlich, H.-J. Fecht, G. Lohöfer, "Surface Tension and Viscosity of the Ni-Based Superalloys LEK94 and CMSX-10 Measured by the Oscillating Drop Method on Board a Parabolic Flight," Metall. Mater. Trans. B. 48, 237–246 (2017).

[2019, Vermot des Roche] M. Vermot des Roches, A. E. Gheribi, P. Chartrand, "A versatile multicomponent database for the surface tension of liquid metals," Calphad. 65, 326–339 (2019).

[2020, Mohr] M. Mohr, R. Wunderlich, Y. Dong, D. Furrer, H.-J. Fecht, "Thermophysical Properties of Advanced Ni-Based Superalloys in the Liquid State Measured on Board the International Space Station," Adv. Eng. Mater. 22, 1901228 (2020).

Viscosity

[1982, Sroka] M. Sroka, J. Skala, Freib. Forschungsh. 229, 17 (1982).

[2005, Sato] Y. Sato, K. Sugisawa, D. Aoki, T. Yamamura, "Viscosities of Fe–Ni, Fe–Co and Ni–Co binary melts," Meas. Sci. Technol. 16, 363–371 (2005).


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[2011, Sato] Y. Sato, "Representation of the Viscosity of Molten Alloy as a Function of the Composition and Temperature," Jpn. J. Appl. Phys. 50, 11RD01 (2011).

[2013, Kobatake] H. Kobatake, J. Brillo, "Density and viscosity of ternary Cr–Fe–Ni liquid alloys," J. Mater. Sci. 48, 6818–6824 (2013).

[2018, Kobatake] H. Kobatake, J. Brillo, Surface tension and viscosity measurement of ternary Cr-Fe-Ni liquid alloys measured under microgravity during parabolic flights. High Temp. - High Press. 47, 465–477 (2018).


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Documents

TCS Ni-based Superalloys Database (TCNI) …...Figure 4: Calculated precipitate solvus temperature for various Ni-base superalloys compared with literature data (γ’ L1 2 unless