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Meeting MS&T24: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Thermochemistry of RE2O3-P2O5 Systems
Author(s) Elizabeth Opila, B.-C. Zhou, P.E. Hopkins, C.S. Witharamage, R. Zaman, H. Schonfeld, W. Riffe, J. Wu, L. Nahar, S Ushakov, H. Xu, Q. Hong, A. Navrotsky
On-Site Speaker (Planned) Elizabeth Opila
Abstract Scope REPO4 (RE=rare earth) compounds have recently shown promise as high temperature coatings. Compositions in the RE2O3-P2O5 systems with higher RE2O3 contents hold additional promise for high temperature applications. Y6P4O17, Y3PO7, Y8P2O17, and Y5PO10 have all been reported in three disparate phase diagrams. However, little is known about the thermodynamic stability, structures, and phase relations of these compounds. In this work, Y-rich phosphates were synthesized via laser melting and Y2O3 reactions with H3PO4. Finite-temperature thermochemical properties of the Y2O3-P2O5 system were calculated via quasi-harmonic phonon calculations for comparison to experiment. Enthalpies of formation were measured using oxide melt solution calorimetry. Definitive phase identification of synthesized materials remains difficult since the structures of many of these compounds are unknown. Transmission electron microscopy, X-ray diffraction, thermal expansion, heat capacity, and heat of formation measurements are all used to probe structure and properties of compounds in the Y-rich part of the Y2O3-P2O5 system.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Generalized Approach for Rapid Entropy Calculation of Liquids and Solids
A Thermodynamic Equation of Motion for Coupled Transport in Magnetite
An Investigation of the Structure-Property Relations of Tunnel Structured Oxides
Atomic-Scale Structural Analysis of Metastable Zirconia
Computationally Guided Synthesis of MXenes by Dry Selective Extraction
Defect Thermodynamics and Its Role in the Irradiation Response of Nuclear Fuels
Dissipative Kinetic Models: Do we Require Deeper Understanding of Local Thermodynamics?
Electrochemical Determination of Thermodynamic Properties of Ni(II) in FLiNaK Molten Salt
Expanding Metastability Beyond Glasses and Undercooled States in Metals
Exploring Actinide Molten Salts with Density Functional Theory
Hase-Field Model of Solid Stoichiometric Compounds and Solution Phases
Implementing Models for High-Throughput CALPHAD Modeling of Molten Salts with Uncertainty Quantification
Magnetic Properties of Non-Crystalline Ho2Ti2O7 Pyrochlore Prepared by Far-From-Equilibrium Processing
Molten Salt Calorimetry for Molten Salt Nuclear Reactors
Non-Ideal Mixing in Entropy Stabilized Oxides
Predictive Modeling of the Structure and Thermodynamics of Molten Salts
Quantifying the Athermal Effect of Electric Current on Solid-Solid Phase Transformation of Titanium
Thermochemistry of RE2O3-P2O5 Systems
Thermodynamic Characteristics of Special Alloys of the Ti-Al system Formed During the Synthesis Process
Thermodynamic Modeling During Synthesis in Ni-Al and Ti-Al Systems
Thermodynamic Modeling of Molten Salt for Nuclear Applications: Challenges and Opportunities

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