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Enthalpies of formation of the solid solutions of ZrxY0.5−x/2Ta0.5−x/2O2 (0 ≤ x ≤ 0.2 and 0.65 ≤ x ≤ 1)

Published online by Cambridge University Press:  29 July 2019

Maren Lepple Open the ORCID record for Maren Lepple [Opens in a new window] ,
Kristina Lilova ,
Carlos G. Levi  and
Alexandra Navrotsky
Maren Lepple*
Affiliation:
Eduard-Zintl-Institute of Inorganic and Physical Chemistry, Technische Universitaet Darmstadt, Darmstadt 64287, Germany
Kristina Lilova
Affiliation:
Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis, Davis, California 95616, USA
Carlos G. Levi
Affiliation:
Materials Department, University of California Santa Barbara, Engineering II, Santa Barbara, California 93117, USA
Alexandra Navrotsky
Affiliation:
Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California Davis, Davis, California 95616, USA
*
a)Address all correspondence to this author. e-mail: maren.lepple@dechema.de
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Abstract

Enthalpies of formation and heat capacities are key parameters for thermodynamic assessments using the CALPHAD method and were determined in this work in the ZrO2–Y0.5Ta0.5O2 quasibinary system. ZrxY0.5−x/2Ta0.5−x/2O2 samples with compositions in the monoclinic and tetragonal ZrO2-based solid solutions (0.65 ≤ x ≤ 1) as well as the two monoclinic (M′ and M) polymorphs of the Y0.5Ta0.5O2-based solid solutions (0 ≤ x ≤ 0.2) were investigated. The enthalpies of the two monoclinic polymorphs M′ and M are essentially the same within experimental uncertainty and have significant energetic stability (enthalpies of formation near −45 kJ/mol) relative to their component oxides. The monoclinic and tetragonal zirconia-rich solid solutions have little energetic stability with respect to ZrO2, Ta2O5, and Y2O3 and presumably owe their existence to the configurational entropy. The heat capacities of M′ and M phase are similar and can be estimated from their constituent oxides using the Neumann–Kopp rule.

Keywords

calorimetryspecific heatoxide
Type
Invited Paper
Information
Journal of Materials Research , Volume 34 , Issue 19: Focus Issue: Thermodynamics of Complex Solids , 14 October 2019 , pp. 3343 - 3350
Copyright
Copyright © Materials Research Society 2019 

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Footnotes

b)

Present address: DECHEMA-Forschungsinstitut, Theodor-Heuss-Allee 25, 60486 Frankfurt am Main, Germany.

c)

This author was an editor of this journal during the review and decision stage. For the JMR policy on review and publication of manuscripts authored by editors, please refer to http://www.mrs.org/editor-manuscripts/.

References

Clarke, D.R., Oechsner, M., and Padture, N.P.: Thermal-barrier coatings for more efficient gas-turbine engines. MRS Bull. 37, 891 (2012).CrossRefGoogle Scholar
Levi, C.G.: Emerging materials and processes for thermal barrier systems. Curr. Opin. Solid State Mater. Sci. 8, 77 (2004).CrossRefGoogle Scholar
Vaßen, R., Jarligo, M.O., Steinke, T., Mack, D.E., and Stöver, D.: Overview on advanced thermal barrier coatings. Surf. Coat. Technol. 205, 938 (2010).CrossRefGoogle Scholar
Poerschke, D.L., Jackson, R.W., and Levi, C.G.: Silicate deposit degradation of engineered coatings in gas turbines. Annu. Rev. Mater. Res. 47, 297 (2017).CrossRefGoogle Scholar
Krogstad, J.A., Lepple, M., Gao, Y., Lipkin, D.M., Levi, C.G., and Green, D.J.: Effect of yttria content on the zirconia unit cell parameters. J. Am. Ceram. Soc. 94, 4548 (2011).CrossRefGoogle Scholar
Krogstad, J.A., Krämer, S., Lipkin, D.M., Johnson, C.A., Mitchell, D.R.G., Cairney, J.M., and Levi, C.G.: Phase stability of t′-zirconia-based thermal barrier coatings. J. Am. Ceram. Soc. 94, s168–s177 (2011).CrossRefGoogle Scholar
Miller, R.A., Smialek, J.L., and Garlick, R.G.: Phase stability in plasma-sprayed, partially stabilized zirconia-yttria. In Science and Technology of Zirconia, A.H. Heuer and L. W. Hobbs, eds. (The American Ceramic Society, Inc., Columbus, Ohio, 1981); pp. 241–253.Google Scholar
Kim, D-J. and Tien, T-Y.: Phase stability and physical properties of cubic and tetragonal ZrO2 in the system ZrO2–Y2O3–Ta2O5. J. Am. Ceram. Soc. 74, 3061 (1991).CrossRefGoogle Scholar
Pitek, F.M. and Levi, C.G.: Opportunities for TBCs in the ZrO2–YO1.5–TaO2.5 system. Surf. Coat. Technol. 201, 6044 (2007).CrossRefGoogle Scholar
Jones, R.L. and Williams, C.E.: Hot corrosion studies of zirconia ceramics. Surf. Coat. Technol. 32, 349 (1987).CrossRefGoogle Scholar
Raghavan, S. and Mayo, M.J.: The hot corrosion resistance of 20 mol% YTaO4 stabilized tetragonal zirconia and 14 mol% Ta2O5 stabilized orthorhombic zirconia for thermal barrier coating applications. Surf. Coat. Technol. 160, 187 (2002).CrossRefGoogle Scholar
Raghavan, S., Wang, H., Porter, W.D., Dinwiddie, R.B., and Mayo, M.J.: Thermal properties of zirconia co-doped with trivalent and pentavalent oxides. Acta Mater. 49, 169 (2001).CrossRefGoogle Scholar
Macauley, C.A., Fernandez, A.N., and Levi, C.G.: Phase equilibria in the ZrO2–YO1.5–TaO2.5 system at 1500 °C. J. Eur. Ceram. Soc. 37, 4888–4901 (2017).CrossRefGoogle Scholar
Macauley, C.A., Fernandez, A.N., van Sluytman, J.S., and Levi, C.G.: Phase equilibria in the ZrO2–YO1.5–TaO2.5 system at 1250 °C. J. Eur. Ceram. Soc. 38, 4523 (2018).CrossRefGoogle Scholar
Limarga, A.M., Shian, S., Leckie, R.M., Levi, C.G., and Clarke, D.R.: Thermal conductivity of single- and multi-phase compositions in the ZrO2–Y2O3–Ta2O5 system. J. Eur. Ceram. Soc. 34, 3085 (2014).CrossRefGoogle Scholar
Li, P., Chen, I-W., and Penner-Hahn, J.E.: Effect of dopants on zirconia stabilization—An X-ray absorption study. J. Am. Ceram. Soc. 77, 1289 (1994).CrossRefGoogle Scholar
Heinze, S.G., Natarajan, A.R., Levi, C.G., and van der Ven, A.: Crystallography and substitution patterns in the ZrO2–YTaO4 system. Phys. Rev. Mater. 2, 73607–73615 (2018).Google Scholar
Wang, J., Zhou, Y., Chong, X., Zhou, R., and Feng, J.: Microstructure and thermal properties of a promising thermal barrier coating: YTaO4. Ceram. Int. 42, 13876 (2016).CrossRefGoogle Scholar
Shian, S., Sarin, P., Gurak, M., Baram, M., Kriven, W.M., and Clarke, D.R.: The tetragonal–monoclinic, ferroelastic transformation in yttrium tantalate and effect of zirconia alloying. Acta Mater. 69, 196 (2014).CrossRefGoogle Scholar
Feng, J., Shian, S., Xiao, B., and Clarke, D.R.: First-principles calculations of the high-temperature phase transformation in yttrium tantalate. Phys. Rev. B 90, 94102 (2014).CrossRefGoogle Scholar
Wu, P., Hu, M., Chen, L., Chen, W., Chong, X., Gu, H., and Feng, J.: Investigation on microstructures and thermo-physical properties of ferroelastic (Y1−xDyx)TaO4 ceramics. Materialia 4, 478 (2018).CrossRefGoogle Scholar
Wolten, G.M.: The structure of the M′-phase of YTaO4, a third Fergusonite polymorph. Acta Crystallogr. 23, 939 (1967).CrossRefGoogle Scholar
Stubičan, V.S.: High-temperature transitions in rare-earth niobates and TantaIates. J. Am. Ceram. Soc. 47, 55 (1964).CrossRefGoogle Scholar
Mather, S.A. and Davies, P.K.: Nonequilibrium phase formation in oxides prepared at low temperature: Fergusonite-related phases. J. Am. Ceram. Soc. 78, 2737 (1995).CrossRefGoogle Scholar
Komkov, A.I.: The structure of natural fergusonite, and of a polymorphic modification. Kristallografiya 4, 836–841 (1959).Google Scholar
Gurak, M., Flamant, Q., Laversenne, L., and Clarke, D.R.: On the yttrium tantalate – zirconia phase diagram. J. Eur. Ceram. Soc. 38, 3317 (2018).CrossRefGoogle Scholar
Flamant, Q., Gurak, M., and Clarke, D.R.: The effect of zirconia substitution on the high-temperature transformation of the monoclinic-prime phase in yttrium tantalate. J. Eur. Ceram. Soc. 38, 3925 (2018).CrossRefGoogle Scholar
Kaufman, L. and Bernstein, H.: Computer Calculation of Phase Diagrams with Special Reference to Refractory Metals (Academic Press Inc., United States, 1970).Google Scholar
Kaufman, L. and Ågren, J.: CALPHAD, first and second generation – birth of the materials genome. Scr. Mater. 70, 3 (2014).CrossRefGoogle Scholar
Fernandez, A.N., Macauley, C.A., Park, D., and Levi, C.G.: Sub-solidus phase equilibria in the YO1.5–TaO2.5 system. J. Eur. Ceram. Soc. 38, 4786 (2018).CrossRefGoogle Scholar
Wang, C., Zinkevich, M., and Aldinger, F.: On the thermodynamic modeling of the Zr–O system. Calphad 28, 281 (2004).CrossRefGoogle Scholar
Fabrichnaya, O., Zinkevich, M., and Aldinger, F.: Thermodynamic modelling in the ZrO2–La2O3–Y2O3–Al2O3 system. Int. J. Mater. Res. 98, 838 (2007).CrossRefGoogle Scholar
Yokogawa, Y. and Yoshimura, M.: High-temperature phase relations in the system Y2O3–Ta2O5. J. Am. Ceram. Soc. 74, 2077 (1991).CrossRefGoogle Scholar
Lepple, M., Ushakov, S.V., Lilova, K., Macauley, C.A., Fernandez, A.N., Levi, C.G., and Navrotsky, A.: Thermochemistry and Phase Stability of the Polymorphs of Yttrium Orthotantalate, YTaO4. (to be submitted).Google Scholar
Ryumin, M.A., Sazonov, E.G., Guskov, V.N., Nikiforova, G.E., Gagarin, P.G., Guskov, A.V., Gavrichev, K.S., Baldaev, L.K., Mazilin, I.V., and Golushina, L.N.: Low-temperature heat capacity of yttrium orthotantalate. Inorg. Mater. 52, 1149 (2016).CrossRefGoogle Scholar
Bhattacharya, A.K., Shklover, V., Steurer, W., Witz, G., Bossmann, H-p., and Fabrichnaya, O.: Ta2O5–Y2O3–ZrO2 system: Experimental study and preliminary thermodynamic description. J. Eur. Ceram. Soc. 31, 249 (2011).CrossRefGoogle Scholar
Bhattachaya, A., Shklover, V., Kunze, K., and Steurer, W.: Effect of 7YSZ on the long-term stability of YTaO4 doped ZrO2 system. J. Eur. Ceram. Soc. 31, 2897 (2011).CrossRefGoogle Scholar
Shen, Y., Leckie, R.M., Levi, C.G., and Clarke, D.R.: Low thermal conductivity without oxygen vacancies in equimolar YO1.5 + TaO2.5- and YbO1.5 + TaO2.5-stabilized tetragonal zirconia ceramics. Acta Mater. 58, 4424 (2010).CrossRefGoogle Scholar
Radha, A.V., Bomati-Miguel, O., Ushakov, S.V., Navrotsky, A., and Tartaj, P.: Surface enthalpy, enthalpy of water adsorption, and phase stability in nanocrystalline monoclinic zirconia. J. Am. Ceram. Soc. 92, 133 (2009).CrossRefGoogle Scholar
Ushakov, S.V., Helean, K.B., Navrotsky, A., and Boatner, L.A.: Thermochemistry of rare-earth orthophosphates. J. Mater. Res. 16, 2623 (2001).CrossRefGoogle Scholar
Chase, M. W. National Institute of Standards, Technology: NIST-JANAF Thermochemical Tables (American Chemical Society and American Institute of Physics for the National Institute of Standards and Technology, Washington and D.C. and Woodbury and N.Y, 1998).Google Scholar
Robie, R.A., Hemingway, B.S., and Fisher, J.R.: Thermodynamic Properties of Minerals and Related Substances at 298.15 K and 1 Bar (1^5 Pascals) Pressure and Higher Temperatures (U.S. Geol. Surv. Bull. 1452, Washington D.C., 1979).Google Scholar
Toby, B.H. and von Dreele, R.B.: GSAS-II: The genesis of a modern open-source all purpose crystallography software package. J. Appl. Crystallogr. 46, 544 (2013).CrossRefGoogle Scholar
Della Gatta, G., Richardson, M.J., Sarge, S.M., and Stølen, S.: Standards, calibration, and guidelines in microcalorimetry. Part 2. Calibration standards for differential scanning calorimetry* (IUPAC Technical Report). Pure Appl. Chem. 78, 1455 (2006).CrossRefGoogle Scholar
Navrotsky, A.: Progress and new directions in high temperature calorimetry. Phys. Chem. Miner. 2, 89 (1977).CrossRefGoogle Scholar
Navrotsky, A.: Progress and new directions in high temperature calorimetry revisited. Phys. Chem. Miner. 24, 222 (1997).CrossRefGoogle Scholar
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