Thermodynamic modeling of the yttrium-oxygen system

Abstract The updated thermodynamic evaluation of the yttrium–oxygen (Y–O) system is presented. Thermodynamic model parameters of all phases, i.e., liquid, α -Y, β -Y, α - Y 2 O 3 and β - Y 2 O 3 , have been derived by the least-squares minimization procedure using Thermo-Calc ® software. The backward compatibility of the refined parameters with experimental data has been demonstrated by calculation of phase and property diagrams.

[1]  L. Kaufman.  Computational Thermodynamics and materials design , 2001 .

[2]  R. Thorn,et al.  Thermodynamic Properties of Gaseous Yttrium Monoxide. Correlation of Bonding in Group III Transition‐Metal Monoxides , 1964 .

[3]  L. Höglund,et al.  Thermo-Calc & DICTRA, computational tools for materials science , 2002 .

[4]  P. J. Spencer.  Computational thermochemistry: from its early Calphad days to a cost-effective role in materials development and processing , 2001 .

[5]  Bo Sundman,et al.  Modification of the two-sublattice model for liquids , 1991 .

[6]  P. Aldebert,et al.  Etude par diffraction neutronique des structures de haute temperature de La2O3 et Nd2O3 , 1979 .

[7]  D. Sadoway,et al.  Thermodynamic properties of oxygen in yttrium-oxygen solid solutions , 1996 .

[8]  M. Zinkevich.  Thermodynamics of rare earth sesquioxides , 2007 .

[9]  A. Miller,et al.  Preparation of a new type of nonstoichiometric rare-earth oxide , 1965 .

[10]  H. Seifert,et al.  Thermodynamic properties of Y2O3 phases and the yttrium–oxygen phase diagram , 1998 .

[11]  O. Redlich,et al.  Algebraic Representation of Thermodynamic Properties and the Classification of Solutions , 1948 .

[12]  L. Dubrovinsky,et al.  High-temperature powder x-ray diffraction of yttria to melting point , 1999 .

[13]  G. Eriksson,et al.  Thermodynamic modelling of the system titanium-oxygen☆ , 1999 .

[14]  N. Ishizawa,et al.  A new high temperature modification of face-centered cubic Y2O3 , 1993, Powder Diffraction.

[15]  M. Saboungi,et al.  Melting behavior of levitated Y2O3 , 2003 .

[16]  F. Jollet,et al.  Influence of oxygen vacancies on the electronic structure of yttrium oxide , 1991 .

[17]  P. N. Walsh,et al.  RARE EARTHS. IV. DISSOCIATION ENERGIES OF THE GASEOUS MONOXIDES OF THE RARE EARTHS. Technical Report No. 1. , 1967 .

[18]  J. Bérar,et al.  Rietveld Refinement of Two-Phase Zr-Doped Y2O3 , 1998 .

[19]  J. C. Warner,et al.  Solid solubilities of oxygen, carbon and nitrogen in yttrium , 1974 .

[20]  V. Lysenko.  Thermodynamic calculation of the yttrium-oxygen phase diagram , 1996 .

[21]  R. R. Walters,et al.  Thermodynamic study of the system yttrium+yttrium sesquioxide A refinement of the vapor pressure of yttrium , 1970 .

[22]  H. Seifert,et al.  Re-Assessment of the Y-O Binary System , 1996 .