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Meeting MS&T22: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title The Thermochemical Stability of Rare Earth Oxides and Silicates for Thermal/Environmental Barrier Coating Applications
Author(s) Mackenzie Ridley, Kristyn Ardrey, Cameron Miller, Kate Tomko, Mahboobe Jassas, Kang Wang, Mukil Ayyasamy, Prasanna Balachandran, Bi-Cheng Zhou, Patrick Hopkins, Elizabeth Opila
On-Site Speaker (Planned) Elizabeth Opila
Abstract Scope Rare earth oxides are among the most thermochemically stable oxides making them desirable as thermal/environmental barrier coating materials in high temperature reactive environments such as turbine engines. Rare earth silicates can be visualized as assemblages of rare earth oxides and silicon-oxygen tetrahedra. The rare earth oxides and silicates exhibit a large number of polymorphs due to the variation in rare earth cation sizes existing for the seventeen rare earths. In this presentation, the many crystal structures for the rare earth oxides and silicates will be described in terms of the rare earth – oxygen coordination polyhedral. Trends for thermal properties as well as the phase stability of monosilicates, disilicates, apatite phases and rare earth oxides in high temperature steam and molten calcium magnesium aluminosilicates present in combustion environments will be related to periodic trends. Possibilities for optimizing properties via synthesis of multicomponent rare earth oxides and silicates are described.
Proceedings Inclusion? Undecided
Keywords Computational Materials Science & Engineering,

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Addressing the Thermodynamic Behavior of Volatile Fission Products in Fluoride Salt-Fueled Molten Salt Reactors: Behavior of Cesium and Iodine
Calorimetric Determination of Melting Point Temperatures, Heat Capacities, and Heats of Fusion of Binary NaCl−UCl3 and MgCl2 − UCl3 Systems
Density, Volatility, and Viscosity of Molten Sodium and Potassium Chloride Salts
Design of High Melting Point Materials via Deep Learning and First Principles
Effect of Desulfurizer on Hot Metal Pretreatment
Enthalpy of Mixing of LaCl3 − LiCl:KCl Pseudo Binary Molten Salt System
High Temperature Boron, Lithium, Iron, and Nickel Aqueous Thermochemistry for Pressurized Water Nuclear Reactors
Investigation of the Thermodynamics of Intermetallic Materials in the Simulation of Synthesis in the Ti-Al system
Measuring Interfacial Thermodynamics from High Temperature In situ TEM Based Bicrystals Tested under Mechanical Load
Melting Point, Enthalpy of Fusion, and Excess Heat Capacity of a FLiNaK Determined by the CALPHAD Method
Persistence of Materials Under Extreme Conditions
Phase Diagrams of Metal-Nitrogen Compounds at High Pressure and High Temperature
Predictive Modeling of Complex Liquids with Uncertainty Quantification by Open-Source Tools: Illustrated with Thermodynamic Properties of Molten Salts
The Thermochemical Stability of Rare Earth Oxides and Silicates for Thermal/Environmental Barrier Coating Applications
There is More to Heat Capacity Measurements than Calculating Entropy
Thermo-mechanical Property Prediction of Materials Using a Python Based Interface with Quantum Espresso
Thermodynamic Database Development with a Focus on Corrosion in Potential Nuclear Reactor Molten Salt Systems
Thermodynamic Modelling and Experimental Investigation of LiCl-NaCl-UCl3 and KCl-NaCl-UCl3 Systems
Thermophysical Properties of Key Binary Salt Systems using High-Sensitivity Twin Calvet Drop Calorimetry for Next Generation Molten Salt Reactors

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