Phase diagrams of zirconium dioxide systems with yttrium and scandium oxides

Keywords: Zirconia, Yttria, Scandia, Solid solutions, Ordering, Phase diagrams, Distribution coefficients

Abstract

     The literature data on the study of phase equilibria in systems zirconia with yttria and scandia are analysed. Possible schemes of low-temperature phase equilibria in ZrO2-Y2O3 and ZrO2-Sc2O3 systems are presented taking into account the third law of thermodynamics.
     The coordinates of non-variant transformations in these systems are tabulated. A sign of non-equilibrium states is the observation of non-diffusion processes of ordering of solid solutions. The modified cryoscopy method is used to calculate the distribution coefficients of scandia and yttria during the crystallization of the ZrO2 melt.
      The possibilities for the existence of a set of ordered phases in the ZrO2-Y2O3 system and diffuse phase transition in the cubic modification of zirconia are discussed.

Downloads

Download data is not yet available.

Author Biographies

Pavel P. Fedorov, Prokhorov General Physics Institute of the Russian Academy of Sciences, 38 Vavilova st., Moscow 119991, Russian Federation

Dr. Sci. (Chem.), Full Professor,
Chief Researcher, Prokhorov General Physics Institute
of the Russian Academy of Sciences (Moscow, Russian
Federation)

Elena V. Chernova, Prokhorov General Physics Institute of the Russian Academy of Sciences, 38 Vavilova st., Moscow 119991, Russian Federation

Junior Researcher, Prokhorov
General Physics Institute of the Russian Academy of
Science (Moscow, Russian Federation).

References

Sabbarao E. C. Zirconia - an overview. In: Proc. First Int Conf.: Science and Technology of Zirconia. Cleveland, Ohio; 1981. p. 1–24.

Fedorov P. P., Yarotskaya, E. G. Zirconium dioxide. Review. Condensed Matter and Interphases. 2021;23(2): 169–187. https://doi.org/10.17308/kcmf.2021.23/3427

Kuzminov Yu. S., Osiko V. V. Fianites*. Moscow: Nauka Publ.; 2001. 280 p. (In Russ.)

Osiko V. V., Borik M. A., Lomonova E. E. Synthesis of refractory materials by skull melting. In: Springer Handbook of Crystal Growth. N.Y.: Springer; 2010. pp. 433–477. https://doi.org/10.1007/978-3-540-74761-1_14

Zhigachev A. O., Golovin Yu. I., Umrikhin A. V., … Dyachek T. A. Ceramic materials based on zirconium dioxide*. Golovin Yu. I. (ed.). Moscow: Tekhnosfera Publ.; 2018. 357 p. (In Russ.)

Kablov E. N. Strategical areas of developing materials and their processing technologies for the period to 2030. Aviation Materials and Technologies. 2012;S: 7–17. (In Russ., abstract in Eng.). Available at: https://www.elibrary.ru/item.asp?id=18084815

Kelly J. R., Denry I. Stabilized zirconia as a structural ceramics: An overview. Dental Materials. 2008;24(3): 289–298. https://doi.org/10.1016/j.dental.2007.05.005

Daou E. E. The zirconia ceramic: strengths and weaknesses. The Open Dentistry Journal. 2014;8(1): 33–42. https://doi.org/10.2174/1874210601408010033

Fedorov P. P., Popov P. A. Principle of equivalency of the disorder sources and heat conductivity of solid. Nanosystems: Physics, Chemistry, Mathematics. 2013;4(1): 148–159. (In Russ., abstract in Eng.). Available at:

https://www.elibrary.ru/item.asp?id=18964066

Haering C., Roosen A., Schichl H., Schnoller M. Degradation of the electrical conductivity in stabilized zirconia system. Part. II: Scandia-stabilized zirconia. Solid State Ionics. 2005;176(3-4): 261–268. https://doi.org/10.1016/j.ssi.2004.07.039

Fergus J. F. Electrolytes for solid oxide fuel cells. Journal of Power Sources. 2006;162: 30–40. https://doi.org/10.1016/j.jpowsour.2006.06.062

Mahato N., Banerjee A., Gupta A., Omar S., Balani K. Progress in material selection for solid oxide fuel cell technology: A review. Progress in Materials Science. 2015;72: 141–337. https://doi.org/10.1016/j.pmatsci.2015.01.001

Borik M. A., Bredikhin S. I., Kulebyakin A. V., … Tabachkova N. Yu. Melt growth, structure and properties of (ZrO2)1-x(Sc2O3)x solid solution crystals. Journal of Crystal Growth. 2016;443: 54–61. https://doi.org/10.1016/j.jcrysgro.2016.03.004

Clarke D. R., Phillpot S. R. Thermal barrier coatings. Materials Today. 2005;8(6): 22–29. https://doi.org/10.1016/S1369-7021(05)70934-2

Zhang H., Liu Zh., Yang X., Xie H. Interface failure behavior of YSZ thermal barrier coatings during thermal shock. Journal of Alloys and Compounds. 2019;779: 686–697. https://doi.org/10.1016/j.jallcom.2018.11.311

Degueldre C. Zirconia inert matrix for plutonium utilisation and minor actinides disposition in reactors. Journal of Alloys and Compounds. 2007;444-445: 36–41. https://doi.org/10.1016/j.jallcom.2006.11.203

Andrievskaya E. R. Phase equilibria in the refractory oxide systems of zirconia, hafnia and yttria with rare-earth oxides. Journal of the European Ceramic Society. 2008;28(12): 2363–2388. https://doi.org/10.1016/j.jeurceramsoc.2008.01.009

Andrievskaya E. R. Phase equilibrium in systems of hafnium, zirconium, yttrium oxides with oxides of rare earth elements*. Kyiv: Naukova Dumka Publ.; 2010. (In Russ.)

Fedorov P. P. Determination of the annealing duration in the study of phase equilibrium in the solid state of binary systems*. Russian Journal of Inorganic Chemistry. 1992;37(8): 1891–1894. (In Russ.)

Fedorov P. P. Third law of thermodynamics as applied to phase diagrams. Russian Journal of Inorganic Chemistry. 2010;55: 1722–1739. https://doi.org/10.1134/S0036023610110100

Fedorov P. P., Alexandrov A. A., Voronov V. V., Mayakova M. N., Baranchikov A. E., Ivanov V. K. Lowtemperature phase formation in the SrF2–LaF3 system. Journal of the American Ceramic Society. 2021;104(6): 2836–2848. https://doi.org/10.1111/jace.17666

Fedorov, P. P., Chernova, E. V. The conditions for the solid state synthesis of solid solutions in zirconia and hafnia systems with the oxides of rare earth elements. Condensed Matter and Interphases. 2022;24(4): 537–544. https://doi.org/10.17308/kcmf.2022.24/10558

Sakka Y., Oishi Y., Ando K. Zr-Hf interdiffusion in polycrystalline Y2O3–(Zr+Hf)O2. Journal of Materials Science. 1982;17: 3101–3105. https://doi.org/10.1007/bf01203471

Yashima M., Ishizawa N., Nama T., Yoshimura M. Stable and metastable phase relationships in the system ZrO2-ErO1.5. Journal of the American Ceramic Society. 1991; 74(3): 510–513. https://doi.org/10.1111/j.1151-2916.1991.tb04052.x

Yashima M., Kakihana M., Yoshimura M. Metastable-stable phase diagrams in the zirconiacontaining systems utilized in solid-oxide fuel cell application. Solid State Ionics. 1996;86: 1131–1149. https://doi.org/10.1016/0167-2738(96)00386-4

Duran P. The system erbia – zirconia. Journal of the American Ceramic Society. 1977;60: 510–513. https://doi.org/10.1111/j.1151-2916.1977.tb14095.x

Roy R. Aids in hydrothermal experimentation: II, Method of making mixtures for both “dry” and “wet” phase equilibrium studies. Journal of the American Ceramic Society. 1956;39(4): 145–146. https://doi.org/10.1111/j.1151-2916.1956.tb14180.x

Fedorov P. P., Nazarkin M. V., Zakalyukin R. M. On polymorphism and morphotropism of rare-earth sesquioxides. Crystallography Reports. 2002;47(2): 281–286. https://doi.org/10.1134/1.1466504

Almjasheva O. V., Smirnov A. V., Fedorov B. A., Tomkovich M. V., Gusarov V. V. Structural features of ZrO2-Y2O3 and ZrO2-Gd2O3 nanoparticles formed under hydrothermal conditions.Russian Journal of General Chemistry. 2014;84(5): 804–809. https://doi.org/10.1134/S1070363214050028

Shuklina A. I., Smirnov A. V., Fedorov B. A., Kirillova S. A., Almjasheva O. V. Structure of nanoparticles in the ZrO2-Y2O3 system, as obtained under hydrothermal conditions. Nanosystems: Physics, Chemistry, Mathematics. 2020;11(6): 729. https://doi.org/10.17586/2220-8054-2020-11-6-729-738

Fedorov P. P., Volkov S. N. Au–Cu Phase Diagram. Russian Journal of Inorganic Chemistry. 2016;61: 772–775. https://doi.org/10.1134/S0036023616060061

Fedorov, P.P., Shubin, Y.V. & Chernova, E.V. Copper–Palladium Phase Diagram. Russian Journal of Inorganic Chemistry. 2021;66: 891–893. https://doi.org/10.1134/S0036023621050053

Fedorov P. P., Popov A. A., Shubin Yu. V., Chernova E. V. Phase diagram of the nickel-platinum system*. Russian Journal of Inorganic Chemistry. 2022;67(12): 1805–1809. (In Russ.). https://doi.org/10.31857/S0044457X22600748

Abriata J. P., Laughlin D. E. The third law of thermodynamics and low temperature phase stability. Progress in Materials Science. 2004;49: 367–387. https://doi.org/10.1016/s0079-6425(03)00030-6

Hume-Rothery W., Raynor G. V. The structure of metals and alloys. London: The Inst. of metals; 1956. 36. Gusarov V. V., Semin E. G., Suvorov S. A. Calculation of thermodynamic parameters of solid solutions based on metal oxides. Russian Journal of Applied Chemistry. 1980;53(8): 1911–1914. (In Russ.)

Voronin G. F. New possibilities for thermodynamic calculation and phase diagram construction of heterogeneous systems. Russian Journal of Physical Chemistry A. 2003:77(10): 1685–1694. Available at: https://www.elibrary.ru/item.asp?id=13425953

Suvorov S. A., Semin E. G., Gusarov V. V. Phasediagrams and thermodynamics of oxide solid solutions. Leningrad: Leningrad University Publ.; 1986. 140 p.

Degtyarev S. A., Voronin G. F. Solution of illposed problems in thermodynamics of phase equilibria. The ZrO2-Y2O3 system. Calphad. 1988;12(1): 73–82. https://doi.org/10.1016/0364-5916(88)90031-4

Degterev S. A., Voronin G. F. Solution of illposed problems of thermodynamics of phase equilibria. I System ZrO2-Y2O3 *. Zhurnal Fizicheskoi Khimii. 1987;61(3): 611–616. (In Russ.)

Zaitseva I. A. , Skolis Yu. Ya. Partial thermodynamic functions of yttrium-oxide in csssolutions of the ZrO2-Y2O3 system*. Zhurnal Fizicheskoi Khimii. 1990;64(1): 251–253. (In Russ.)

Zaitseva I. A. , Dobrokhotova Zh. V. Thermodynamic functions of zirconium oxide in fluorite-like solutions of the ZrO2-Y2O3 system*. Inorganic Materials. 1994;30(7): 955–958. (In Russ.)

Degtyarev S.A., Voronin G.F. Calculation of the phase diagram in the ZrO2-Y2O3 system*. Zhurnal Fizicheskoi Khimii. 1987;61(3): 617–622. (In Russ.)

Du Y., Jin Z., Huang P. Thermodynamic assessment of the ZrO2-YO1.5 system. Journal of the American Ceramic Society. 1991;74: 1569–1577. https://doi.org/10.1111/j.1151-2916.1991.tb07142.x

Jacobson N. S., Liu Z.-K., Kaufman L., Zhang F. Thermodynamic modeling of YO1.5-ZrO2 system. Journal of the American Ceramic Society. 2004;87: 1559–1566. https://doi.org/10.1111/j.1551-2916.2004.01559.x

Chen M., Hallstedt B., Gauckler L. J. Thermodynamic modeling of the ZrO2-YO1.5 system. Solid State Ionics. 2004;170: 255–274. https://doi.org/10.1016/j.ssi.2004.02.017

Duwez P., Brown F.H., Odell F. The zirconiayttria system. Journal of the Electrochemical Society. 1951;98(9): 356–362. https://doi.org/10.1149/1.2778219

Rouanet A. Contribution a l’etude des systems zircon-oxydes des lanthanides au voisinage fe la fusion. Revue Internationale Des Hautes Temperatures et Des Refractaires. 1971;8: 161–180.

Noguchi T., Mizuno M., Yamada T. The liquidus curve of the ZrO2-Y2O3 system as measured by a solar furnace. Bulletin of the Chemical Society of Japan. 1970;43: 2614–2616. https://doi.org/10.1246/bcsj.43.2614

Shevchenko A. V., Tkachenko V. D., Lopato L. M., Ruban A. K., Pasichnyi V. V. A method of determining phase-transition temperatures using solar heating. Soviet Powder Metallurgy and Metal Ceramics. 1986;25(1): 79–82. https://doi.org/10.1007/bf00843028

Pascual C., Duran P. Subsolidus Phase Equilibria and ordering in the system ZrO2-Y2O3. Journal of the American Ceramic Society. 1983;66: 23–28. https://doi.org/10.1111/j.1151-2916.1983.tb09961.x

Stubican V. S., Corman G. S., Hellmann J. R., Sent G. Phase relationships in some ZrO2 system. In: Advanced in Ceramics. N. Clausen, A. Ruhle, A. Heuer (eds.). Columbus: American Ceramic Soc Inc; 1984;12: 96–106.

Gaboriaud R. J., Paumier F., Lacroix B. Disorderorder phase transformation ia a fluorite-related oxide film: in situ diffraction and modeling of the residual stress effects. Thin Solid Films. 2016;601: 84–88. https://doi.org/10.1016/j.tsf.2015.08.030

Fedorov P. P. T-х phase diagrams of binary systems in the condensed state: I. Equilibrium of four phases. Russian Journal of Physical Chemistry. 1999;73(9): 1381-1386.

Thornber M. R., Bevan D. J. M., Graham J. Mixed oxides of the type MO2 fluorite-M2O3. III crystal structures of the intermediate phases Zr5Sc2O15 and Zr3Sc2O12. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 1968;24(9): 1183–1190. https://doi.org/10.1107/s0567740868003948

Thornber M. R., Bevan D. J. M., Summerville E. Mixed oxides of the type MO2 Fluorite-M2O3. V. Phase studies in the systems ZrO2-M2O3 (M = Sc,Yb, Er, Dy). Journal of Solid State Chemistry. 1970;1: 545–553. https://doi.org/10.1016/0022-4596(70)90140-4

Spiridonov F. M., Popova L. N., Popil’skii R. Ya. On the phase relations and electrical conductivity in the system ZrO2-Sc2O3. Journal of Solid State Chemistry. 1970;2(3): 430–438. https://doi.org/10.1016/0022-4596(70)90102-7

Sekiya T., Yamada T., Hayashi H., Noguchi T. High temperature phase in the ZrO2-Sc2O3 system. Nippon Kagaku Kaishi. 1974;9: 1629–1636 (in Japan). https://doi.org/10.1246/nikkashi.1974.1629

Ruh R., Garrrett H. J., Domagala R. F., Patel V. A. The system zirconia-scandia. Journal of the American Ceramic Society. 1977;60(9-10): 399–403. https://doi.org/10.1111/j.1151-2916.1977.tb15521.x

Shevchenko A. V., Maister I. M., Lopato L. M. Interaction in the HfO2-Sc2O3 and ZrO2-Sc2O3 systems at high temperatures. Izvestiya Akademii Nauk SSSR. Neorganicheskie Materialy. 19867:23(8): 1320–1324.

Zyrin A. V., Red’ko V. P., Lopato L. M., Shevchenko A. V. Ordered phases in the ZrO2–Sc2O3 and HfO2–Sc2O3 systems. Izvestiya Akademii Nauk SSSR. Neorganicheskie Materialy. 1987:23(8): 1326–1329.

Lopato L. M., Red’ko V. P., Gerasimyuk G. I., Shevchenko A. V. Synthesis of some REE zirconates (hafnates). Soviet Powder Metallurgy and Metal Ceramics. 1990;29(4): 318–320. https://doi.org/10.1007/bf00797236

Maister I. M., Lopato L. M, Zaitseva Z. A., Shevchenko A. V. Interaction in the ZrO2–Y2O3–Sc2O3 system at 1300–1900 °C. Izvestiya Akademii Nauk SSSR. Neorganicheskie Materialy. 1991;27(11): 2337–2340.

Sheu T.-S., Xu J., Tien T.-Y. Phase relationships in the ZrO2-Sc2O3 and ZrO2-In2O3 systems. Journal of the American Ceramic Society. 1993;76(8): 2027–2032. https://doi.org/10.1111/j.1151-2916.1993.tb08328.x

Fujimori H., Yashima M., Kakihana M., Yoshimura M. Structural changes of scandia-doped zirconia solid solutions: Rietveld analysis and Raman scattering. Journal of the American Ceramic Society. 2005; 81(11): 2885–2893. https://doi.org/10.1111/j.1151-2916.1998.tb02710.x

Fujimori H., Yashima M., Kakihana M., Yoshimura M. b-cubic phase transition of scandia-doped zirconia solid solution: Calorimetry, X-ray diffraction, and Raman scattering. Journal of Applied Physics. 2002; 91: 6493– 6498. https://doi.org/10.1063/1.1471576

Rossell H. J. Crystal structure of some fluoriterelated M7O12 compounds. Journal of Solid State Chemistry. 1976;19(2): 103–111. https://doi.org/10.1016/0022-4596(76)90156-0

Wurst K., Schweda E., Bevan D. J. M., Mohyla J., Wallwork K. S., Hofmann M. Single-crystal structure determination of Zr50Sc12O118. Solid State Sciences. 2003;5: 1491–1497. https://doi.org/10.1016/j.solidstatesciences.2003.09.008

Meyer S., Schweda E., Meta N. J. M., Boysen H., Hoelzel M., Bredow T. Neutron powder diffraction study and DFT calculatuins of the structure of Zr10Sc4O26. Zeitschrift für Kristallographie. 2009;224: 539–543. https://doi.org/10.1524/zkri.2009.1218

Ma C., Beckett J. R., Rossman G. R. Allendeite (Sc4Zr3O12) and hexamolybdenum (Mo, Ru, Fe), two new minerals from an ultrarefractory inclusion from the Allende meteorite. American Mineralogist. 2014;99(4): 654–666. https://doi.org/10.2138/am.2014.4667

Fedorov P. P., Chernova E. V. Distribution coefficients of rare-earth oxides in zirconium dioxide melt crystallization. Inorganic Materials. 2021;57(9): 901–905. https://doi.org/10.1134/s0020168521090089

Fedorov P. P., Turkina T. M., Lyamina O. I., Tarasova E. V., Zibrov I. P., Sobolev B. P. Calculation of impurity distribution coefficients from liquidus curves of binary systems MF2-RF3 *. Vysokochistye veshchestva. 1990;6: 67–72. (In Russ.)

Ivanov S. P., Buchinskaya I. I., Fedorov P. P. Distribution coefficients of impurities in cadmium fluoride. Inorganic Materials. 2000;36(4): 392–396. https://doi.org/10.1007/BF02758088

Chase M. W., Davies C. A., Downey J. R., McDonald R. A., Syverud A. N., Valenzuela E. A. JANAF thermochemical tables. Journal of Physical and Chemical Reference Data. 1982;11(3): 695–940. https://doi.org/10.1063/1.555666

Fedorov P. P., Sobolev B. P. Conditions for the formation of maxima on the fusion curves of solid solutions in salt systems. Russian Journal of Inorganic Chemistry. 1979;24(4): 572–575.

Fedorov P. P. Heterovalent isomorphism and

solid solutions with a variable number of ions in the

unit cell. Russian Journal of Inorganic Chemistry.

;45: S268–S291.

Zinkevich M., Djurovic D., Aldinger F. Thermodynamic modeling of the cerium-oxygen system. Solid State Ionics. 2006;177: 989–1001. https://doi.org/10.1016/j.ssi.2006.02.044

Pascual C., Duran P. Phase equilibria and ordering in the erbia-zirconia system. Journal of Materials Science. 1981;16: 3067–3076. https://doi.org/10.1007/bf00540314

Fedorov P. P., Alexandrov A. A., Voronov V. V., Mayakova M. N., Baranchikov A. E., Ivanov V. K. Lowtemperature phase formation in the SrF2 - LaF3 system. Journal of the American Ceramic Society. 2021;104(6): 2836–2848. https://doi.org/10.1111/jace.17666

Bredig M. A. The order-disorder (l) transition in UO2 and other solids of the fluorite type of structure. Colloq. Inter. CNRS. 1972;205: 183–197.

Fossati P. C. M., Chartier A., Boulle A. Structural aspects of the superionic transition in AX2 compounds with the fluorite structure. Frontiers in Chemistry. 2021; 9: N723507. http://doi. org/10.3389/fchem.2021.723507

Hoekstra H. R., Siegel S., Gallagher X. The uranium-oxygen system at high pressure. Journal of Inorganic and Nuclear Chemistry. 1970;32: 3237–3248. https://doi.org/10.1016/0022-1902(70)80206-8

Cooper M. W. D., Murphy S. T., Rushton M. J. D., Grimes R. W. Thermophysical properties and oxygen transport in the (UxPu1–x)O2 lattice. Journal of Nuclear Materials. 2015;461: 206–214. https://doi.org/10.1016/j.jnucmat.2015.03.024

Annamareddy A., Eapen J. Disordering and dynamic self-organization in stoichiometric UO2 at high temperatures. Journal of Nuclear Materials. 2017;463: 132–141. https://doi.org/10.1016/j.jnucmat.2016.10.042

Annamareddy A., Eapen J. Low dimensional string-like relaxation underpins superionic conduction in fluorites and related structures. Scientific Reports. 2017; 7:44149. https://doi.org/10.1038/srep44149

Published
2023-05-11
How to Cite
Fedorov, P. P., & Chernova, E. V. (2023). Phase diagrams of zirconium dioxide systems with yttrium and scandium oxides. Condensed Matter and Interphases, 25(2), 257-267. https://doi.org/10.17308/kcmf.2023.25/11106
Section
Original articles