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Deep-potential enabled multiscale simulation of gallium nitride devices on boron arsenide cooling substrates

Author

Listed:
  • Jing Wu

    (Hunan University
    Huazhong University of Science and Technology)

  • E Zhou

    (Hunan University)

  • An Huang

    (Hunan University)

  • Hongbin Zhang

    (Technische Universität Darmstadt)

  • Ming Hu

    (University of South Carolina)

  • Guangzhao Qin

    (Hunan University
    Research Institute of Hunan University in Chongqing
    Hunan University
    Ministry of Education)

Abstract

High-efficient heat dissipation plays critical role for high-power-density electronics. Experimental synthesis of ultrahigh thermal conductivity boron arsenide (BAs, 1300 W m−1K−1) cooling substrates into the wide-bandgap semiconductor of gallium nitride (GaN) devices has been realized. However, the lack of systematic analysis on the heat transfer across the GaN-BAs interface hampers the practical applications. In this study, by constructing the accurate and high-efficient machine learning interatomic potentials, we perform multiscale simulations of the GaN-BAs heterostructures. Ultrahigh interfacial thermal conductance of 260 MW m−2K−1 is achieved, which lies in the well-matched lattice vibrations of BAs and GaN. The strong temperature dependence of interfacial thermal conductance is found between 300 to 450 K. Moreover, the competition between grain size and boundary resistance is revealed with size increasing from 1 nm to 1000 μm. Such deep-potential equipped multiscale simulations not only promote the practical applications of BAs cooling substrates in electronics, but also offer approach for designing advanced thermal management systems.

Suggested Citation

  • Jing Wu & E Zhou & An Huang & Hongbin Zhang & Ming Hu & Guangzhao Qin, 2024. "Deep-potential enabled multiscale simulation of gallium nitride devices on boron arsenide cooling substrates," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
  • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-46806-7
    DOI: 10.1038/s41467-024-46806-7
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    References listed on IDEAS

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    1. Haiyang Niu & Luigi Bonati & Pablo M. Piaggi & Michele Parrinello, 2020. "Ab initio phase diagram and nucleation of gallium," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    2. Ying Cui & Zihao Qin & Huan Wu & Man Li & Yongjie Hu, 2021. "Flexible thermal interface based on self-assembled boron arsenide for high-performance thermal management," Nature Communications, Nature, vol. 12(1), pages 1-7, December.
    3. Jinzhe Zeng & Liqun Cao & Mingyuan Xu & Tong Zhu & John Z. H. Zhang, 2020. "Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    4. Hasan Babaei & Mallory E. DeCoster & Minyoung Jeong & Zeinab M. Hassan & Timur Islamoglu & Helmut Baumgart & Alan J. H. McGaughey & Engelbert Redel & Omar K. Farha & Patrick E. Hopkins & Jonathan A. M, 2020. "Observation of reduced thermal conductivity in a metal-organic framework due to the presence of adsorbates," Nature Communications, Nature, vol. 11(1), pages 1-8, December.
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