| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Direct Solution to the Space-time Dependent Peierls-Boltzmann Transport Equation using an Eigendecomposition Method |
| Author(s) |
Chengyun Hua, Lucas Lindsay, Austin Minnich |
| On-Site Speaker (Planned) |
Chengyun Hua |
| Abstract Scope |
Nonlocal thermal transport is generally described by the Peierls-Boltzmann transport equation (PBE). However, solving the PBE for a general space-time dependent problem remains a challenging task due to the high dimensionality of the integro-differential equation. In this work, we present a direct solution to the space-time dependent PBE with a linearized collision matrix using an eigendecomposition method. Furthermore, we show that there exists a generalized Fourier type relation that links heat flux to the local temperature, and this constitutive relation is valid from ballistic to diffusive regimes. Combining this approach with ab initio calculations of phonon properties, we demonstrate that the derived solution gives a more accurate description of thermal transport in crystals that exhibit weak anharmonicity than the commonly-used single-mode relaxation time approximation and thus will lead to an improved understanding of phonon transport in solids. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |