About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Semi-empirical Approach for Analyzing the Microstructure-aware Effective Thermal Conductivity of Polycrystalline Materials |
Author(s) |
Younggil Song, N. C. Du, D.-X. Qu, T. W. Heo |
On-Site Speaker (Planned) |
Younggil Song |
Abstract Scope |
Efficient evaluation of effective thermal conductivities (ETCs) of inhomogeneous materials is key for designing better performing materials for various applications, including hydrogen storage, thermal energy storage, and high-temperature industrial processes. In this presentation, we will report a novel semi-empirical model for ETCs of polycrystalline materials. Using the recently developed numerical approach based on the Fourier-spectral iterative-perturbation method, we generated extensive ETC data with varying microstructural parameters of porous binary mixture of materials. To capture microstructural impacts on ETCs, we propose a semi-empirical model incorporating diffuse-interface description for the material surface with two key control parameters. The proposed model reproduces characterized variabilities of ETCs in both simulations and experiments. The semi-empirical model provides an efficient tool to examine microstructure-dependent ETCs, which is necessary for identifying engineering guidance for practical materials. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Environmental Effects |