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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Thermal Property Characterization, Modeling, and Theory in Extreme Environments
Presentation Title Thermal Resistance at a Twist Interface: Dislocation Grid and Misorientation Phonon Scattering
Author(s) Ramya L. Gurunathan, Riley Hanus, G. Jeffrey Snyder
On-Site Speaker (Planned) Ramya L. Gurunathan
Abstract Scope The primary models to describe phonon scattering at an interface, the acoustic mismatch model and diffuse mismatch model, only consider the bulk properties of the material on either side of the interface, but not the structure that can exist at the interface itself. At the nanoscale, low-energy grain boundaries are composed of arrays of dislocations which produce periodic strain fields. Here, we discuss the heat dissipation effects of a twist boundary, which can be decomposed into two interpenetrating sets of either screw dislocations, forming a dislocation grid. Strain scattering theory is used to capture the thermal resistance due to the dislocation grid. Additionally, a reformulation of the acoustic mismatch model is used to capture the scattering effects of the solid rotation at the twist interface. The thermal boundary resistance predictions from the model capture experimental trends and are close in magnitude to molecular dynamics results.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Energy Conversion and Storage,

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Connection Between Thermal Conductivity Degradation and Microstructural Changes in Graphite Due to Neutron Irradiation
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
Enhanced thermal conductivity for sol-gel derived fuel candidates
From crystalline to amorphous materials: mechanisms for thermal conductivity reduction
Ion-irradiation-induced structural disorder and thermal conductivity changes of intermetallic compounds.
Measurement of density, thermal expansion, and viscosity of volatile molten salts using X-ray radiography
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 delta-UZr2
Oxidation Resistance Impact of Niobium and Zirconium Additions to U3Si2
Performance of UO2 reactor fuel with high thermal conductivity additives
Phase-dictated thermal conductivity response in carbon systems exposed to ion irradiation
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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 Resistance at a Twist Interface: Dislocation Grid and Misorientation Phonon Scattering
Thermal stability of metallic multilayers with triple junctions
Thermal Transport Behavior of U-50Zr at the Mesoscale: Before and After Irradiation
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