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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Thermal Property Characterization, Modeling, and Theory in Extreme Environments
Presentation Title Thermal and Mechanical Properties of Hafnon (HfSiO4), Theory and Experiments
Author(s) Zhidong Ding, Mackenzie Ridley, Jeroen Deijkers, Naiming Liu, Md. Shafkat Bin Hoque, John Gaskins, Mona Zebarjadi, Patrick E Hopkins, Haydn Wadley, Elizabeth Opila, Keivan Esfarjani
On-Site Speaker (Planned) Keivan Esfarjani
Abstract Scope Hafnium orthosilicate (HfSiO4: hafnon) has been proposed as an environmental barrier coating (EBC) material to protect silicon and silicon-based ceramic materials at high temperatures and as a candidate dielectric material in microelectronic devices. It can naturally form at the interface between SiO2 and hafnia (HfO2). In this work, the thermophysical properties of hafnon such as thermal expansion, elastic moduli and thermal conductivity, have been investigated using a combination of density functional theory (DFT) calculations and experimental assessments.The predicted thermal conductivity from Boltzmann transport theory is approximately 16.1 W/m.K at 300K, while that that of our samples using both hot disk and laser flash measurements gave a value of 13.3 W/m.K. Mechanical properties were measured using nanoindentation techniques. Overall calculated properties agree relatively well with the experimental characterizations, paving the way for the future investigation of the thermomechanical properties of other oxides or silicates.
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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