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Meeting MS&T24: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Defect Thermodynamics and Its Role in the Irradiation Response of Nuclear Fuels
Author(s) David Andersson, Michael Cooper, Benjamin Liu, Conor Galvin, Anton Schneider, William Neilson, Christopher Matthews
On-Site Speaker (Planned) David Andersson
Abstract Scope Equilibrium thermodynamics in nuclear fuels sets conditions that impact the response to irradiation. This occurs by providing driving forces for returning the system to equilibrium, controlling defect clustering and determining at what temperature the system transitions from being dominated by irradiation transport to thermal transport processes. Three ceramic nuclear fuels are investigated: uranium oxide (UO2), uranium oxycarbides (UCO) used in TRISO particles and uranium nitride (UN). First, the equilibrium defect thermodynamics will be established using density functional theory and empirical potential calculations. Next, the link to the irradiation response is studied by using the cluster dynamics code Centipede. In addition to the thermodynamic properties, this code captures defect production, self-interactions, sink-reactions, clustering, and kinetic properties governing the response to irradiation. Finally, the resulting defect thermodynamic and diffusion properties will be connected to in-reactor performance at the engineering scale through their role in swelling, release of fission gases, creep, and densification.

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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