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Meeting MS&T23: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Sponsorship ACerS Basic Science Division
ACerS Energy Materials and Systems Division
Organizer(s) Xiaofeng Guo, Washington State University
Kristina Lilova, Arizona State University
Kyle S. Brinkman, Clemson University
Alexandra Navrotsky, Arizona State University
Jake W. Amoroso, Savannah River National Laboratory
Xingbo Liu, West Virginia University
Gustavo Costa, NASA Glenn Research Center
Scope Thermodynamics controls synthesis, corrosion, degradation, environmental transport, and catalysis processes and forms the fundamental underpinnings of reactivity, transformation, and stability in materials. The developments in energy conversion and storage (including renewables, nuclear energy, and batteries, to name a few active areas) have resulted in increasing need for improved and new materials, including better ways to characterize and study their fundamental properties. The investigation of the thermodynamics of many materials which undergo secondary phase formation under operating conditions raise issues of lifetime and compatibility critical for their application. Extreme conditions such as elevated temperatures and pressures, high radiation fields, and corrosive environments are encountered in nuclear energy and aeronautical and space applications. Such conditions parallel those encountered in the deep Earth and in planetary interiors. Fundamental thermodynamic measurements and computational predictions are required to understand and model the synthesis and use and eventual disposition of energy materials. The proposed symposium will bring together a group of experimental and computational materials scientists focused on predicting and measuring thermodynamic properties of traditional and new materials to be used in extreme environments.

Organizers include three of the founders the Thermodynamics Consortium. (THERMOCON) THERMOCON has almost 300 members from 6 continents, 20 countries, and more than 70 universities, government labs, institutes, and companies. THERMOCON is a diverse and energetic international community of researchers who collaborate to solve a variety of scientific and technological problems. In this symposium, we will also honor the recipient of the ACerS Navrotsky Award for Experimental Thermodynamics of Solids ( This symposium is co-sponsored by the ACerS Energy Materials & Systems Division and the ACerS Basic Science Division.

Abstracts are solicited in (but not limited to) the following topics:
• Experimental and computational thermodynamics of protective barriers (e.g. thermal barrier coatings, fuel cladding, waste containment).
• Measurements and computational predictions of the thermodynamics and reactivity of materials under extreme conditions (i.e. high radiation dose, elevated temperature and/or pressure, hydrothermal, corrosive environments)
• Materials under extreme geologic and planetary conditions, emphasizing the large variety of pressure–temperature environments and compositions found in our solar system and in exoplanets
• Thermodynamic stability of materials for nuclear reactors (LWR, PWR, MSR, etc.), nuclear thermal propulsion (NTP), and waste immobilization
• Thermodynamics and long term stability of materials for batteries, fuel cells, photovoltaics, and other energy applications
• New non-oxide systems (alloys, carbides, nitrides, sulfides, selenides)

Abstracts Due 05/08/2023

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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