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Meeting MS&T22: 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.
Abstracts Due 05/15/2022
Proceedings Plan Undecided

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
Phase Equilibria and Liquidus Surface in Ni Rich Ni-Nb-Se Alloys
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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