Panoramic Mapping of Phonon Transport from Ultrafast Electron Diffraction and Scientific Machine Learning
Panoramic Mapping of Phonon Transport from Ultrafast Electron Diffraction and Scientific Machine Learning
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超快电子衍射和科学机器学习的声子传输全景图
DOI：
10.1002/adma.202206997
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发表时间：
2022
影响因子：
29.4
通讯作者：
Hua, Chengyun
中科院分区：
文献类型：
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作者：
Chen, Zhantao;Shen, Xiaozhe;Andrejevic, Nina;Liu, Tongtong;Luo, Duan;Nguyen, Thanh;Drucker, Nathan C.;Kozina, Michael E.;Song, Qichen;Hua, Chengyun
理解声子热输运的一个核心挑战是缺乏研究频率分辨声子输运的实验工具。虽然计算的最新进展导致频率分辨信息，但它受到体区域和界面处未知缺陷的阻碍。在这里，提出了一个可以揭示异质结构中微观声子输运信息的框架，将最先进的超快电子衍射（UED）与先进的科学机器学习（SciML）相结合。利用UED的双重时间和倒易空间分辨率，以及SciML解决涉及O（103）$\mathcal{O}（{10^3}）$耦合玻尔兹曼输运方程的逆问题的能力，从衍射图案可靠地恢复异质结构的频率依赖的界面透射率和频率依赖的弛豫时间。将该框架应用于实验Au/Si UED数据，揭示了扩散失配模型之外的输运模式，进一步实现了跨界面的真实的真实的-空间、频率分辨声子动力学的直接重建.这项工作提供了一个新的途径来探测界面声子输运机制与前所未有的细节。
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(103)$\mathcal{O}({10^3})$ 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.
YAMASAKI,M.：“人类恶性肿瘤的核磁共振研究”通过技术实现医学进步。
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瞬态热光栅实验的声子弛豫时间重建以及与密度泛函理论预测的比较
影响因子：
4
作者：
M. Forghani;N. Hadjiconstantinou
通讯作者：
N. Hadjiconstantinou