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Meeting MS&T24: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Non-Ideal Mixing in Entropy Stabilized Oxides
Author(s) William Rosenberg, Stuart Ness, Bhoopesha Mishra, Carlo Segre, Scott J. Mccormack
On-Site Speaker (Planned) Scott J. Mccormack
Abstract Scope There has been a lot of interest in “High” Entropy and/or entropy stabilized materials. However, there has been little studies that dig deep into the thermodynamics and quantify thermodynamic parameters like the excess mixing enthalpy and mixing volume. We measure the enthalpy of mixing between two entropy stabilized oxides (HfTiO4-ZrTiO4) to quantify the enthalpic effects in these disordered materials. These measurements are compared with the anisotropic volume of mixing. The enthalpy of mixing in HfTiO4-ZrTiO4 was found to be negative with respect to HfTiO4 and ZrTiO4 end-members. This suggests that there is local ordering when comparing the HfTiO4-ZrTiO4 solid solution to HfTiO4 and ZrTiO4 entropy stabilized end members. This non-ideal mixing was observed in the anisotropic molar volume of mixing, where the excess strain was confined predominantly to the b-direction. EXAFS data has been used to probe the local structure to determine nearest neighbor cation coordinations within the solid solution.

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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