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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Thermal Property Characterization, Modeling, and Theory in Extreme Environments
Presentation Title First-principles Modeling of High Temperature Irradiation Resistant Thermocouple (HTIR-TC) Performance and Oxidation
Author(s) Lan Li, Ember L. Sikorski, Richard S. Skifton, Brian J. Jaques
On-Site Speaker (Planned) Ember L. Sikorski
Abstract Scope Instrumentation is needed to characterize experiments in research reactors that can operate at over 1000˚C. To meet this need, Idaho National Laboratory has been developing High Temperature Irradiation Resistant Thermocouples (HTIR-TCs) composed of Mo and Nb thermoelements separated by Al2O3 insulation. Using Ab initio Molecular Dynamics and Boltzmann Transport Equations, we calculated the Seebeck emf, a thermoelectric property, to measure the materials’ voltage response to temperature change in HTIR-TCs. With this method, HTIR-TC performance were predicted with respect to temperature, transmutation, and oxidation. Accelerated by high temperature, oxygen could diffuse into the thermoelements from the insulation or the air or water present in the reactor. To better understand the possible causes of thermoelement oxidation, we investigated Mo-Al2O3 and Nb-Al2O3 interfaces and the Mo and Nb surfaces in the presence of O2 and H2O at high temperatures. Diffusion mechanisms and their effect on HTIR-TC performance were also investigated.
Proceedings Inclusion? Planned:


First-principles Modeling of High Temperature Irradiation Resistant Thermocouple (HTIR-TC) Performance and Oxidation
A Thermodynamically-consistent Model for Heat Transport in Heterogeneous Solids
An Experimentally Validated Mesoscale Model for the Effective Thermal Conductivity of U-Zr Fuels
Atmosphere Controlled Thermogravimetric Analysis as a Tool to Screen, Test and Qualify Advanced Fuels under Extreme Conditions
Defect Density and Annealing Kinetics Estimation Using Thermal Diffusivity Measurements from Transient Grating Spectroscopy
Energy Balance Investigation of Close-coupled Optimized-pressure Gas Atomization Pour-tube Design Geometry to Prevent Melt Freeze-off
Mesoscale Modeling of the Effective Thermal Conductivity of a UO2-Mo Composite Nuclear Fuel
Multiphysics Mesoscale Modeling of Ablative Thermal Protection Systems
Non-magnetic Kondo Effect in Eelta-UZr2
Performance of UO2 Reactor Fuel with High Thermal Conductivity Additives
Phase-dictated Thermal Conductivity Response in Carbon Systems Exposed to Ion Irradiation
Phonon Transport in ThO2 from Neutron Scattering and First-principles Computation
Theory of Non-equilibrium Thermal Transport at High Temperatures from First-principles
Thermal and Mechanical Properties of Hafnon (HfSiO4), Theory and Experiments
Thermal Behaviors of Correlated Insulators ThO2 and SmB6
Thermal Conductivity and Heat Transport Processes of Ion Irradiated and Laser Heated Solids
Thermal Conductivity Degradation from Irradiation-induced Microstructural Defects in Single Crystal Thorium Dioxide
Thermal Gradient Effect on the Transport Properties of Helium and Intrinsic Defects in Tungsten
Thermal Stability of Metallic Multilayers with TripleJjunctions
Thermal Transport Behavior of U-50Zr at the Mesoscale: Before and After Irradiation
Thermal Transport in Irradiated ThO2: A Combined Experimental and Phonon Level Investigation
Ultra-high Lattice Thermal Conductivity and the Effect of Pressure in Superhard Hexagonal BC2N

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