Interfacial Phonon Transport Model in DSMC Framework Based on the Scattering Matrix Method
编号:153访问权限:仅限参会人更新:2025-09-30 09:43:20浏览:44次口头报告
报告开始:2025年10月11日 09:05(Asia/Shanghai)
报告时间:15min
所在会场:[S2] Numerical micro/nanofluid dynamics and heat transfer [S2-1] Session 2-1
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摘要
Accurate prediction and control of heat dissipation across material interfaces is critical to the performance and reliability of advanced electronic devices. Classical models such as the diffuse mismatch model (DMM) cannot fully capture phonon dynamics. In this work, we solve the phonon Boltzmann transport equation (BTE) using an energy-based deviational Direct Simulation Monte Carlo (DSMC) method to calculate the interfacial thermal resistance (ITR) at a Silicon/Germanium interface. A quantum-informed interfacial boundary condition is developed by integrating the scattering matrix (S-matrix) from the atomistic Green's function framework, providing frequency- and polarization-resolved phonon transmission and reflection. This method captures detailed phonon dynamics at interfaces, and provides predictions of ITR that differ from the conventional DMM boundary condition, showing good agreement with experimental benchmarks. Transmission and specularity parameters extracted from the S-matrix model are further incorporated to refine the DMM method. We find that the modified DMM can provide similar results for ITR as the S-matrix for larger system sizes, but does not provide good agreement for smaller, nanoscale system sizes, where we expect the S-matrix to be more accurate. By integrating quantum insights with macroscopic modeling, this approach offers a practical tool for the engineering design of advanced electronic devices.
关键词
Direct Simulation Monte Carlo,scattering matrix,interfacial phonon transport,heterostructures
报告人
Yifei Li
K.C. Wong FoundationInstitute for Multiscale Thermofluids, School of Engineering, University of Edinburgh, United Kingdom
稿件作者
Yifei LiInstitute for Multiscale Thermofluids, School of Engineering, University of Edinburgh
Yichong ChenInstitute for Multiscale Thermofluids, School of Engineering, University of Edinburgh
Livio GibelliInstitute for Multiscale Thermofluids, School of Engineering, University of Edinburgh
Matthew K. BorgInstitute for Multiscale Thermofluids, School of Engineering, University of Edinburgh
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