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Meeting Materials Science & Technology 2019
Symposium Thermodynamics of Materials in Extreme Environments
Organizer(s) Kyle S. Brinkman, Clemson University
Kristina Lilova, University California Davis
Alexandra Navrotsky, University California Davis
Jake Amoroso, Savannah River National Laboratory
Fei Peng, Clemson University
Xingbo Liu, West Virginia University
Gustavo Costa , NASA
Xiaofeng Guo , Washington State University
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 production 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) The nucleus of THERMOCON was formed during a workshop at the Peter A Rock Thermochemistry Laboratory at UC Davis on June 27-28, 2017. It now has more than 220 members from 5 continents, 15 countries, and more than 60 universities, government labs, institutes, and companies. THERMOCON is a diverse and energetic international community of researchers who together will advance modern thermodynamic research to solve a variety of scientific and technological problems. This symposium is co-sponsored by the ACerS Nuclear & Environmental Technology 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)
• Thermodynamic stability of materials for nuclear reactors (LWR, PWR, MSR, etc.) and waste immobilization
• Thermodynamics and long term stability of materials for batteries, fuel cells, photovoltaics, and other energy applications
• 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
• New alloy, carbide, and nitride systems
Abstracts Due 04/05/2019
Proceedings Plan Undecided

Ab-Initio Screening for New Solid Oxide Fuel Cell Cathodes
Behavior of Ultra-High Temperature Ceramics in the Hypersonic Flight Environment
Chemical Short-Range Order Stabilizes Hollandite Phases for Nuclear Waste Form Applications
Correlated Multimodal in situ Gas-Metal Alloy Surface Reaction Studies
Determination of Thermodynamic Data at High Temperatures with Knudsen Effusion Mass Spectrometry
Effect of refractory oxide coatings on the thermodynamic stability of the Yb14MnSb11 thermoelectric compound at high temperatures: A CALPHAD study
Electrochemical and calorimetric study of Ag-Li-Sb alloys
Formation of PuSiO4: lessons coming from chemical analogues
High Temperature Vaporization into Different Environments
Measurement of Molten Salt Properties at Operationally Relevant Temperatures
Molecular Modeling and Simulation of Molten Salts: Progress from the Molten Salts in Extreme Environments (MSEE) Energy Frontier Research Center
Monazite as a waste form for actinides: from synthesis to long-term behavior
Novel Insight into Defect Behavior of Irradiated Materials: Combined Neutron Total Scattering and High Temperature Calorimetry Investigation
Oxidative high temperature solution calorimetry of pure elements and application to the thermodynamics studies of non-oxide systems
Phase Equilibria for Uranium- Silicide Nuclear Fuel
Pyrochlore disordering under extreme conditions
Speciation and Stability of Uranium and Thorium in Hydrothermal Environments
Stability of Complex Silicate Environmental Barrier Coating Candidate Materials in High-Temperature Water-Vapor
The impact of Cs stoichiometry on structural features and thermodynamic stability of (BaxCsy)(M,Ti)8O16 (M = Zn2+, Al3+, Ga3+, and Fe3+) hollandite-based ceramic waste forms
Thermodynamic and Structural Evolutions of Solid State Materials under 2D or 3D Confinement
Thermodynamic Simulation and Materials Corrosion in Hydrothermal Liquefaction Biorefining Conditions
Thermodynamics Analysis of Flowing for SHS-reactions in System Ni-Al alloys
Uncovering the oxidation mechanisms of nickel-based alumina-forming alloys
Ab Initio Thermodynamic Modeling of Hydrogen Defects and Transport for Solid Oxide Fuel Cells and Tritium Producing Burnable Absorber Rod Applications

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