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Quantum mechanical analyses of nanoscale phonon transport

Research Project

Project/Area Number 19F19353
Research Category

Grant-in-Aid for JSPS Fellows

Allocation TypeSingle-year Grants
Section外国
Review Section Basic Section 28020:Nanostructural physics-related
Research InstitutionThe University of Tokyo

Principal Investigator

野村 政宏  東京大学, 先端科学技術研究センター, 准教授 (10466857)

Co-Investigator(Kenkyū-buntansha) GUO YANGYU  東京大学, 先端科学技術研究センター, 外国人特別研究員
Project Period (FY) 2019-11-08 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥1,600,000 (Direct Cost: ¥1,600,000)
Fiscal Year 2021: ¥400,000 (Direct Cost: ¥400,000)
Fiscal Year 2020: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2019: ¥400,000 (Direct Cost: ¥400,000)
Keywordsphonon / phonon hydrodynamics / quantum heat transport / phonon NEGF formalism / recursive algorithm / phonon vortex / Anharmonic phonon NEGF / Fourier’s representation / MPI parallelization / heat transport
Outline of Research at the Start

We plan to establish the non-equilibrium Green function computational framework with anharmonic phonon-phonon scattering taken into account. Heat transport through silicon and germanium thin films as well as Si/Ge interface will be considered in establishing the algorithm. As a first step, we plan to adopt the modified valence force field empirical atomic interaction models for both silicon and germanium. This computational framework will be validated for heat transport through bulk Si and Ge at different temperatures, and heat transport through Si/Ge interface at room temperature.

Outline of Annual Research Achievements

The research achievements under the support of JSPS fellowship mainly include three aspects:
(1) We develop the three-dimensional anharmonic phonon non-equilibrium Green’s function formalism, and a parallelized computational framework for large-scale quantum heat transport simulation. With the new methodology, the open question of how anharmonic phonon-phonon scattering plays the role in heat transport at solid-solid interface is studied with a local spectral energy exchange decomposition scheme. Also we present a novel path to demonstrate phonon localization in graded superlattices and a thermal conductivity minimum phenomenon in the quantum coherent regime.
(2) We develop a mesoscopic simulation framework based on the phonon Boltzmann equation under Callaway’s dual relaxation model with fully ab initio input of phonon properties for both isotropic and anisotropic material systems. With the new method, we investigate the size effect of phonon hydrodynamics in graphitic nano- and micro-structures, and promote the experimental observation of phonon Poiseuille flow in micro-meter-scale isotopically purified graphite ribbon.
(3) We develop a coupled model for heat transport along polar dielectric nanostructures via phonons and surface phonon polaritons. A universal quantum of two-dimensional heat transport in ultrathin polar films is derived for surface phonon polaritons. The non-linear temperature profile due to the coupled dynamics is also demonstrated.

Research Progress Status

令和3年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和3年度が最終年度であるため、記入しない。

Report

(3 results)
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • Research Products

    (15 results)

All 2021 2020 Other

All Int'l Joint Research (1 results) Journal Article (9 results) (of which Int'l Joint Research: 9 results,  Peer Reviewed: 9 results,  Open Access: 1 results) Presentation (5 results) (of which Int'l Joint Research: 2 results)

  • [Int'l Joint Research] CNRS(フランス)

    • Related Report
      2020 Annual Research Report
  • [Journal Article] Quantum of thermal conductance of nanofilms due to surface-phonon polaritons2021

    • Author(s)
      Y. Guo, S. Tachikawa, S. Volz, M. Nomura, and J. Ordonez-Miranda
    • Journal Title

      Phys. Rev. B

      Volume: 104 Issue: 20

    • DOI

      10.1103/physrevb.104.l201407

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Thermal-Wave Diode2021

    • Author(s)
      J. Ordonez-Miranda, Y. Guo, J. J. Alvarado-Gil, S. Volz, and M. Nomura
    • Journal Title

      Phys. Rev. Appl.

      Volume: 16 Issue: 4

    • DOI

      10.1103/physrevapplied.16.l041002

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Thermal conductivity minimum of graded superlattices due to phonon localization2021

    • Author(s)
      Guo Yangyu、Bescond Marc、Zhang Zhongwei、Xiong Shiyun、Hirakawa Kazuhiko、Nomura Masahiro、Volz Sebastian
    • Journal Title

      APL Materials

      Volume: 9 Issue: 9 Pages: 091104-091104

    • DOI

      10.1063/5.0054921

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Size effect on phonon hydrodynamics in graphite microstructures and nanostructures2021

    • Author(s)
      Y. Guo, Z. Zhang, M. Bescond, S. Xiong, M. Wang, M. Nomura, and S. Volz
    • Journal Title

      Phys. Rev. B

      Volume: 104 Issue: 7 Pages: 075450-075450

    • DOI

      10.1103/physrevb.104.075450

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Heat Transport Driven by the Coupling of Polaritons and Phonons in a Polar Nanowire2021

    • Author(s)
      Y. Guo, M. Nomura, S. Volz, and J. Ordonez-Miranda
    • Journal Title

      Energies

      Volume: 14 Issue: 16 Pages: 5110-5110

    • DOI

      10.3390/en14165110

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Thermal self-synchronization of nano-objects2021

    • Author(s)
      Z. Zhang, Y. Guo, M. Bescond, J. Chen, M. Nomura, and S. Volz
    • Journal Title

      J. Appl. Phys.

      Volume: 130 Issue: 8 Pages: 084301-084301

    • DOI

      10.1063/5.0058252

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Anharmonic phonon-phonon scattering at the interface between two solids by nonequilibrium Green's function formalism2021

    • Author(s)
      Guo Yangyu、Zhang Zhongwei、Bescond Marc、Xiong Shiyun、Nomura Masahiro、Volz Sebastian
    • Journal Title

      Physical Review B

      Volume: 103 Issue: 17 Pages: 174306-174306

    • DOI

      10.1103/physrevb.103.174306

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Phonon vortex dynamics in graphene ribbon by solving Boltzmann transport equation with ab initio scattering rates2021

    • Author(s)
      Y. Guo, Z. Zhang, M. Nomura, S. Volz, and M. Wang
    • Journal Title

      Int. J. Heat Mass Transf.

      Volume: 169 Pages: 120981-120981

    • DOI

      10.1016/j.ijheatmasstransfer.2021.120981

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Quantum mechanical modeling of anharmonic phonon-phonon scattering in nanostructures2020

    • Author(s)
      Guo Yangyu、Bescond Marc、Zhang Zhongwei、Luisier Mathieu、Nomura Masahiro、Volz Sebastian
    • Journal Title

      Physical Review B

      Volume: 102 Issue: 19 Pages: 195412-195412

    • DOI

      10.1103/physrevb.102.195412

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Thermal boundary conductance of Si/Ge interface by anharmonic phonon non-equilibrium Green function formalism2021

    • Author(s)
      Y. Guo, Z. Zhang, M. Bescond, M. Nomura, and S. Volz
    • Organizer
      CLEO/Europe-EQEC 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Heat Transport at Si/Ge Interface by Anharmonic Phonon Non-Equilibrium Green Function Formalism2021

    • Author(s)
      Y. Guo, Z. Zhang, M. Bescond, S. Xiong, M. Nomura, S. Volz
    • Organizer
      2021 Virtual MRS Spring Meeting & Exhibit
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Anharmonic phonon-phonon scattering at solid/solid interface2021

    • Author(s)
      Y. Guo, Z. Zhang, M. Bescond, S. Xiong, M. Nomura and S. Volz
    • Organizer
      第5回フォノンエンジニアリング研究会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Thermal boundary conductance of Si/Ge interface by anharmonic phonon non-equilibrium Green function formalism2021

    • Author(s)
      Y. Guo, Z. Zhang, M. Bescond, M. Nomura, S. Volz
    • Organizer
      第68回応用物理学会春季学術講演会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Quantum mechanical modeling of anharmonic phonon-phonon scattering in nanostructures2020

    • Author(s)
      Y. Guo, M. Bescond, Z. Zhang, M. Luisier, M. Nomura, S.Volz
    • Organizer
      第四回フォノンエンジニアリング研究会
    • Related Report
      2020 Annual Research Report

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Published: 2019-11-29   Modified: 2024-03-26  

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