ProgramMaster Logo
Conference Tools for 2021 TMS Annual Meeting & Exhibition
Register as a New User
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Thermal Property Characterization, Modeling, and Theory in Extreme Environments
Presentation Title Theory of non-equilibrium thermal transport at high temperatures from first-principles.
Author(s) Keivan Esfarjani
On-Site Speaker (Planned) Keivan Esfarjani
Abstract Scope In systems of small dimensions or near interfaces subject to a thermal gradient, heat carriers are not at equilibrium. Such situations are traditionally modeled using non-equilibrium molecular dynamics simulations. In this numerical approach, a temperature is associated to every atom or atomic layer, even though such concept is not necessarily well-defined. Other approaches use the Green's function method combined with the Landauer formalism, but usually treat near-equilibrium cases using harmonic theory. In this presentation, we show a new non-equilibrium formalism which can self-consistently describe thermal expansion and heat propagation of vibrational degrees of freedom across an ordered or disordered interface at high temperatures and in anharmonic systems.
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
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
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 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
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

Questions about ProgramMaster? Contact