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Meeting MS&T23: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Thermodynamic Assessment of Ce3In by Experimental and Computational Methods
Author(s) Andrew Charles Strzelecki, Sajib K. Barman, Cody B. Cockreham, Samantha C. Couper, S. Scott Parker, Najeb Mohammed Abdul-Jabbar, Mark R Wartenbe, Young-Jay Ryu, Emma Carlsen, Stella Chariton, Vitali Prakapenka, Maddury Somayazulu, Curtis Kenny-Benson, Bethany A. Chidester, Margaret E. Reece, W. Adam Phelan, Paul H. Tobash, Hakim Boukhalfa, Sarah C. Hernadez, Eric D. Bauer, Jeremy N. Mitchell, Hongwu Xu
On-Site Speaker (Planned) Andrew Charles Strzelecki
Abstract Scope Intermetallic compounds comprised of cerium (Ce), a transition metal (M), and indium (In) are of considerable interest as they possess a variety of unique physical properties, such as superconductivity. However, not every combination of cerium and indium with a transitional metal produces an interesting or useful compound. Thermodynamic modeling is useful in designing new materials as it can verify if a new phase is stable and can be synthesized. Despite the interest in the ternary systems, the thermodynamics of the Ce-In binary system is still not fully known. Thus, in this work the thermodynamic properties of Ce3In were assessed by means of high-pressure synchrotron X-ray diffraction, thermogravimetric analysis, differential scanning calorimetry, PPMS measurements, and high temperature gallium melt drop solution calorimetry. The derived thermodynamic parameters include isothermal compressibility, Cp, ΔSf, ΔHf, ΔHfus, and ΔGf. These results have been verified using either semi-empirical models or density functional theory calculations.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

ACerS Navrotsky Award: Thermodynamic Stability, Radiation Damage and Leaching Effects in Tunnel Structured Hollandite Materials
An Ab Initio Study of the Thermodynamic and Thermophysical Properties of Pu-bearing Salts
Deep Learning for Large-scale Prediction of Melting Temperature and Materials Properties
Determination of Mixing Enthalpy of La and U in Chloride Molten Salt
Exploring and Implementing Thermodynamic Models for Liquid and their Applications to Thermodynamic Modeling of Molten Salts
Formation of Carbon Nanotubes from Multilayered Graphene in Astrophysical Settings
Heat Capacity of Microgram Oxide Samples by Fast Scanning Calorimetry
J-6: Determination of the Activation Energy of the Formation of Intermetallic Compounds in the Ni-Al and Ti-Al System during Thermochemical Pressing
J-7: Effect of Temperature on the Solubility of Corrosion Products of Structural Materials in the Form of Spinels (Fe–Cr–Ni Systems)
J-8: Influence of pH of the Coolant, Concentration of Corrosion Products on the Rate of Formation of Deposits in the Internal Circuit Equipment of Power Units
J-9: Thermodynamic Properties of Special Alloys of the Ti-Al System Formed during Synthesis
Mixing Behaviors in Group IV and V Oxides and Diborides
Molecular Dynamics Simulations of the Structures and Transport properties of UCln (n=3, 4) in NaCl and MgCl2 Molten Salts
New Classes of Phase Diagrams for Materials in Extreme Environments
Stability and use of Nitride and Carbide Nuclear Fuels in Advanced Reactors and Nuclear Propulsion in Space
Thermochemistry of Co Transition Metal Nitrides
Thermodynamic and Kinetic Considerations of CMAS Reactions with Rare-earth Monosilicates
Thermodynamic Assessment of Ce3In by Experimental and Computational Methods
Thermodynamic Assessment of the MgCl2-NaCl-KCl-CsCl Pseudo-quaternary System for Calculation of Volatile Fission Product (Cesium) Behavior in Molten Chloride Reactors
Thermodynamic Modelling Possibilities of High-persistent (Thermally, Mechanically, Chemically) Functional Materials
Thermodynamics of Bicrystal Metal-oxide Interfacial Failure at High Temperature
Thermodynamics of Cr-alloy Coated Zr-alloy Cladding Systems
Thermodynamics of Molten Salts for the Fluoride Salt Cooled High-temperature Reactor

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