Panoramic Mapping of Phonon Transport from Ultrafast Electron Diffraction and Scientific Machine Learning

One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate frequency-resolved phonon transport. Although recent advances in computation lead to frequency-resolved information, it is hindered by unknown defects in bulk regions and at interfaces. Her...

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Bibliographic Details
Main Authors: Chen, Zhantao, Shen, Xiaozhe, Andrejevic, Nina, Liu, Tongtong, Luo, Duan, Nguyen, Thanh, Drucker, Nathan C, Kozina, Michael E, Song, Qichen, Hua, Chengyun, Chen, Gang, Wang, Xijie, Kong, Jing, Li, Mingda
Other Authors: Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
Format: Article
Language:English
Published: Wiley 2023
Online Access:https://hdl.handle.net/1721.1/147618
Description
Summary:One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate frequency-resolved phonon transport. Although recent advances in computation lead to frequency-resolved information, it is hindered by unknown defects in bulk regions and at interfaces. Here, a framework that can uncover microscopic phonon transport information in heterostructures is presented, integrating state-of-the-art ultrafast electron diffraction (UED) with advanced scientific machine learning (SciML). Taking advantage of the dual temporal and reciprocal-space resolution in UED, and the ability of SciML to solve inverse problems involving O ( 10 3 ) $\mathcal{O}({10^3})$ coupled Boltzmann transport equations, the frequency-dependent interfacial transmittance and frequency-dependent relaxation times of the heterostructure from the diffraction patterns are reliably recovered. The framework is applied to experimental Au/Si UED data, and a transport pattern beyond the diffuse mismatch model is revealed, which further enables a direct reconstruction of real-space, real-time, frequency-resolved phonon dynamics across the interface. The work provides a new pathway to probe interfacial phonon transport mechanisms with unprecedented details.