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Heat conduction analysis on nanostructured bulk thermoelectric materials from first principles

Research Project

Project/Area Number 15K17982
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Thermal engineering
Research InstitutionThe University of Tokyo

Principal Investigator

Shiga Takuma  東京大学, 大学院工学系研究科(工学部), 助教 (10730088)

Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2015: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Keywordsフォノン / 界面熱輸送 / フォノンコヒーレンス / 熱電変換 / 分子動力学法 / 格子動力学法 / グリーン関数 / 第一原理計算 / グリーン関数法 / フォノン輸送
Outline of Final Research Achievements

In order to realize high-performance thermoelectric materials, we have developed the method calculating phonon transport spectra inside a material and at an interface, and obtained a guidance of structuring for effectively reducing phonon transports contributing to overall heat conduction. As for the manipulation of heat conduction utilizing wave nature of phonons, we have evaluated impacts of interference and resonance by nanostructured interface on the reduction of thermal conductivity by means of phonon-wave packet and atomistic Green's function methods. Besides this, we performed molecular dynamics simulations to estimate phonon coherence length, which is important length scale in structural control utilizing wave nature of phonons. As results, we identified that, similar with phonon mean free path, coherence length is strongly dependent on frequency and widely distributed from 1 to 100 nm.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (44 results)

All 2018 2017 2016 2015 Other

All Int'l Joint Research (2 results) Journal Article (8 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 8 results,  Acknowledgement Compliant: 4 results) Presentation (31 results) (of which Int'l Joint Research: 16 results,  Invited: 7 results) Book (1 results) Remarks (2 results)

  • [Int'l Joint Research] Russian Academy of Sciences(ロシア連邦)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Saint-Gobain Recherche(フランス)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] Thermal rectification in restructured graphene with locally modulated temperature dependence of thermal conductivity2017

    • Author(s)
      Anuj Arora, Takuma Hori, Takuma Shiga, Junichiro Shiomi
    • Journal Title

      Physical Review B

      Volume: 96 Issue: 16 Pages: 165419-165419

    • DOI

      10.1103/physrevb.96.165419

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Phonon-interference resonance effects by nanoparticles embedded in a matrix2017

    • Author(s)
      Lei Feng, Takuma Shiga, Haoxue Han, Shenghong Ju, Yuriy A. Kosevich, Junichiro Shiomi
    • Journal Title

      Physical Review B

      Volume: 96 Issue: 22 Pages: 220301-220301

    • DOI

      10.1103/physrevb.96.220301

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Effects of defects on thermoelectric properties of carbon nanotubes2017

    • Author(s)
      Masato Ohnishi, Takuma Shiga, Junichiro Shiomi, “Effects of defects on thermoelectric properties of carbon nanotubes
    • Journal Title

      Physical Review B

      Volume: 95 Issue: 15 Pages: 155405-155405

    • DOI

      10.1103/physrevb.95.155405

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Designing nanostructures for interfacial phonon transport via Bayesian optimization2017

    • Author(s)
      Shenghong Ju, Takuma Shiga, Lei Feng, Zhufen Hou, Koji Tsuda, and Junichiro Shiomi
    • Journal Title

      Physical Review X

      Volume: -

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Long-range interatomic forces can minimize heat transfer: From slowdown of longitudinal optical phonons to thermal conductivity minimum2016

    • Author(s)
      H. Han, L. Feng, S. Xiong, T. Shiga, J. Shiomi, S. Volz, Y. A. Kosevich
    • Journal Title

      Physical Review B

      Volume: 94 Issue: 5 Pages: 054306-054306

    • DOI

      10.1103/physrevb.94.054306

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Effects of phonon interference through long range interatomic bonds on the thermal interface conductance2016

    • Author(s)
      H. Han, L. Feng, S. Xiong, T. Shiga, J. Shiomi, S. Volz, and Y. A. Kosevich
    • Journal Title

      Low Temperature Physics

      Volume: 42 Issue: 8 Pages: 711-711

    • DOI

      10.1063/1.4960498

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Harmonic phonon theory for calculating thermal conductivity spectrum from first-principles dispersion relations2016

    • Author(s)
      Takuma Shiga, Daisuke Aketo, Lei Feng, Junichiro Shiomi
    • Journal Title

      Applied Physics Letters

      Volume: 108 Issue: 20 Pages: 201903-201903

    • DOI

      10.1063/1.4950851

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Phonon transport in perovskite SrTiO3 from first principles2015

    • Author(s)
      Lei Feng, Takuma Shiga, and Junichiro Shiomi
    • Journal Title

      Applied Physics Express

      Volume: 8 Issue: 7 Pages: 071501-071501

    • DOI

      10.7567/apex.8.071501

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Presentation] Phonon-interferene Resonance Effects of Nanoparticles Embedded in a Matrix2018

    • Author(s)
      Lei Feng, Takuma Shiga, Haoxue Han, Shenghong Ju, Yuriy A. Kosevich, and Junichiro Shiomi
    • Organizer
      Americal Phsical Society March Meeting
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Mechanism of Coherence Heat Conduction in Phononic Crystal2018

    • Author(s)
      Yuxuan Liao, Takuma Shiga, Makoto Kashiwagi, and Junichiro Shiomi
    • Organizer
      Americal Phsical Society March Meeting
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Investigation on Heat Conduction on Phononic Crystal2017

    • Author(s)
      Yuxuan Liao, Takuma Shiga, Makoto Kashiwagi, and Junichiro Shiomi
    • Organizer
      第64回 応用物理学会春季学術講演会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Heat Conduction Analysis Involving th Effect Arising from Phono Coherence2017

    • Author(s)
      Takuma Shiga and Junichiro Shiomi
    • Organizer
      Material Reserach Society (MRS) Spring meeting 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 母材に埋め込まれたナノ粒子のフォノン共鳴効果2017

    • Author(s)
      馮磊,志賀拓麿,Han Haoxue,Shenghong Ju,Kosevich, Yuriy A.,塩見淳一郎
    • Organizer
      第54回日本伝熱シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] Contributions of coherent and incoherent phonons to heat conduction2017

    • Author(s)
      Takuma Shiga, Yuxuan Liao, Makoto Kashiwagi, and Junichiro Shiomi
    • Organizer
      9th US-Japan Joint Seminar on Nanoscale Transport Phenomena
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 界面・ナノ構造を用いたフォノン輸送エンジニアリング2017

    • Author(s)
      志賀拓麿,塩見淳一郎
    • Organizer
      応用物理学会フォノンエンジニアリング研究グループ JST「微小エネ」領域合同研究会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Manipulation of thermal conductivity of material by nanostructure, interface, and local&non-local wave natre of phonon2017

    • Author(s)
      Takuma Shiga
    • Organizer
      ICTP-Eurasian Centre for Advanced Research, Recent Progress in the Physics of Thermal Transport
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Designing Nanostructures for Interfacial Phonon Transport via Bayesian Optimization2016

    • Author(s)
      Shenghong Ju, Takuma Shiga, Lei Feng, Zhufeng Hou, Koji Tsuda, and Junichiro Shiomi
    • Organizer
      MRS 2016 fall meeting
    • Place of Presentation
      Hynes Convention Center, Boston, USA
    • Year and Date
      2016-11-27
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Effects of Defects and Strain on Thermoelectric Properties of Single-walled Carbon Nanotubes2016

    • Author(s)
      Masato Ohnishi, Takuma Shiga, Juniciro Shiomi
    • Organizer
      12th International Conference on Flow Dynamics (ICFD2016)
    • Place of Presentation
      Sendai International Center, Sendai, Japan
    • Year and Date
      2016-10-10
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Thermal conductivity and rectification study of nanostructured graphene2016

    • Author(s)
      Anuj Arora, Makoto Kashiwagi, Fumiki Mitsuhashi, Takuma Hori, Takuma Shiga, and Junichiro Shiomi
    • Organizer
      The 11th Asian Thermophysical Properties Conference (ATPC)
    • Place of Presentation
      Pacifico Yokohama Annex Hall, Yokohama, Japan
    • Year and Date
      2016-10-02
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 母材に埋め込めれたナノ粒子のフォノン共鳴効果2016

    • Author(s)
      馮 磊,志賀 拓麿,Han Haoxue, Ju Shenghong, Kosevich A Yuriy, 塩見 淳一郎
    • Organizer
      第77回 応用物理学会秋季学術講演会
    • Place of Presentation
      朱鷺メッセ,新潟県
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] Desigining Nanostructures for Interfacial Phonon Transport via Bayesian Optimization2016

    • Author(s)
      Shenghong Ju, Takuma Shiga, Lei Feng, Zhufeng Hou, Koji Tsuda, Junichiro Shiomi
    • Organizer
      第77回 応用物理学会秋季学術講演会
    • Place of Presentation
      朱鷺メッセ,新潟県
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] 熱伝導制御に向けた熱フォノンのコヒーレンス長の評価2016

    • Author(s)
      志賀 拓麿,塩見 淳一郎
    • Organizer
      第77回 応用物理学会秋季学術講演会
    • Place of Presentation
      朱鷺メッセ,新潟県
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] Tuning phonon transport by nanostructures for thermoelectrics2016

    • Author(s)
      Junichiro Shiomi and Takuma Shiga
    • Organizer
      The 17th International Conference on High Pressure in Semiconductor Physics (HPSP-17) & Workshop on High-pressure Study on Superconducting (WHS)
    • Place of Presentation
      東京大学 山上会館,東京都
    • Year and Date
      2016-08-07
    • Related Report
      2016 Research-status Report
    • Invited
  • [Presentation] カーボンナノチューブの熱電性能に及ぼす局所変形と欠陥の影響2016

    • Author(s)
      大西 正人,志賀 拓麿,塩見 淳一郎
    • Organizer
      第53回日本伝熱シンポジウム
    • Place of Presentation
      グランキューブ大阪,大阪府
    • Year and Date
      2016-05-24
    • Related Report
      2016 Research-status Report
  • [Presentation] 高性能熱電変換材料の探索に向けた格子熱伝導のモデリング2016

    • Author(s)
      志賀 拓麿,明戸 大介,ライ フウ,塩見 淳一郎
    • Organizer
      第53回日本伝熱シンポジウム
    • Place of Presentation
      グランキューブ大阪,大阪府
    • Year and Date
      2016-05-24
    • Related Report
      2016 Research-status Report
  • [Presentation] ナノポーラス構造シリコンの熱輸送特性2016

    • Author(s)
      柏木 誠,須藤 裕太,堀 琢磨,志賀 拓麿,塩見淳一郎
    • Organizer
      第53回日本伝熱シンポジウム
    • Place of Presentation
      グランキューブ大阪,大阪府
    • Year and Date
      2016-05-24
    • Related Report
      2016 Research-status Report
  • [Presentation] Effects of Defects and Strain on Thermoelectric Properties of Single-walled Carbon Nanotubes2016

    • Author(s)
      Masato Ohnishi, Takuma Shiga, Juniciro Shiomi
    • Organizer
      APS March Meeting 2016
    • Place of Presentation
      Baltimore, Mayland, USA
    • Year and Date
      2016-03-28
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Thermal Conductivity of Porous Media from Phonon Transport Viewpoint2016

    • Author(s)
      Makoto Kashiwagi, Yuta Sudo, Takuma Hori, Takuma Shiga, Junichiro Shiomi
    • Organizer
      The First Pacific Rim Thermal Engineering Conference (PRTEC)
    • Place of Presentation
      Hawaii's Big Island, USA
    • Year and Date
      2016-03-14
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Heat conduction analysis from first principles2015

    • Author(s)
      Takuma Shiga
    • Organizer
      Magnetics and Optics Research International Symposium
    • Place of Presentation
      Penang, Malaysia
    • Year and Date
      2015-11-29
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Investigation on Phonon Coherence for Heat Conduction Control2015

    • Author(s)
      T. Shiga and J. Shiomi
    • Organizer
      Twelfth International Conference on Flow Dynamics (ICFD2015)
    • Place of Presentation
      仙台国際センター,仙台市青葉区,宮城県
    • Year and Date
      2015-10-27
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 高性能熱電変換材料の探索に向けた格子熱伝導率のモデリング2015

    • Author(s)
      志賀拓麿,明戸大介,馮磊,塩見淳一郎
    • Organizer
      第12回日本熱電学会学術講演会
    • Place of Presentation
      九州大学エネルギー基盤技術国際教育センター,春日市,福岡県
    • Year and Date
      2015-09-07
    • Related Report
      2015 Research-status Report
  • [Presentation] 第一原理に基づいたチタン酸ストロンチウムのフォノン輸送解析2015

    • Author(s)
      フウライ,志賀拓麿,塩見淳一郎
    • Organizer
      第12回日本熱電学会学術講演会
    • Place of Presentation
      九州大学エネルギー基盤技術国際教育センター,春日市,福岡県
    • Year and Date
      2015-09-07
    • Related Report
      2015 Research-status Report
  • [Presentation] Phonon transport in perovskite SrTiO3 from first-principles2015

    • Author(s)
      Lei Feng, Takuma Shiga, and Junichiro Shiomi
    • Organizer
      The 34st International Conference on Thermoelectrics (ICT2015)
    • Place of Presentation
      Dresden, Germany
    • Year and Date
      2015-06-28
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Empirical model of heat conduction for a screening of high-performance thermoelectric materials2015

    • Author(s)
      Takuma Shiga, Daisuke Aketo, Lei Feng, and Junichiro Shiomi
    • Organizer
      The 34st International Conference on Thermoelectrics (ICT2015)
    • Place of Presentation
      Dresden, Germany
    • Year and Date
      2015-06-28
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] 熱伝導制御に向けたフォノンのコヒーレンス長の評価2015

    • Author(s)
      志賀 拓麿,塩見 淳一郎
    • Organizer
      第52回日本伝熱シンポジウム
    • Place of Presentation
      福岡国際会議場,博多区福岡市,福岡県
    • Year and Date
      2015-06-03
    • Related Report
      2015 Research-status Report
  • [Presentation] 第一原理計算にもとづいたSrTiO3のフォノン輸送解析2015

    • Author(s)
      馮 磊,志賀 拓麿,塩見 淳一郎
    • Organizer
      第52回日本伝熱シンポジウム
    • Place of Presentation
      福岡国際会議場,博多区福岡市,福岡県
    • Year and Date
      2015-06-03
    • Related Report
      2015 Research-status Report
  • [Presentation] 再構造化グラフェンの熱伝導および整流性2015

    • Author(s)
      アヌージ アローラ,三橋 史樹,堀 琢磨,志賀 拓麿,塩見 淳一郎
    • Organizer
      第52回日本伝熱シンポジウム
    • Place of Presentation
      福岡国際会議場,博多区福岡市,福岡県
    • Year and Date
      2015-06-03
    • Related Report
      2015 Research-status Report
  • [Presentation] Spectral analysis of interfacial phonon transport across dissimilar crystalline solids2015

    • Author(s)
      Takuma Shiga, Takuru Murakami, and Junichiro Shiomi
    • Organizer
      The 5th International Symposium on Micro and Nano Technology (ISMNT-5)
    • Place of Presentation
      Calgary, Canada
    • Year and Date
      2015-05-18
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Effect of Bi and Sb Dopant on Lattice Thermal Conductivity in Melt Grown Mg2Si2015

    • Author(s)
      Tsubasa Otsubo, Hideaki Otake, Takuma Shiga, Junichiro Shiomi, Masaru Itakura, Haruhiko Udono
    • Organizer
      Material Research Society
    • Place of Presentation
      San Francisco, USA
    • Year and Date
      2015-04-06
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Book] マイクロ・ナノスケールの次世代熱制御技術 フォノンエンジニアリング(第2章ナノ熱計測・シミュレーション,第5節フォノン輸送のマルチスケール性)2017

    • Author(s)
      志賀 拓麿
    • Total Pages
      15
    • Publisher
      エヌ・ティー・エス
    • ISBN
      9784860435097
    • Related Report
      2017 Annual Research Report
  • [Remarks] 研究室ホームページ

    • URL

      http://www.phonon.t.u-tokyo.ac.jp/people/shiga/index.html

    • Related Report
      2017 Annual Research Report
  • [Remarks] T.Shiga

    • URL

      http://www.phonon.t.u-tokyo.ac.jp/people/shiga/index.html

    • Related Report
      2015 Research-status Report

URL: 

Published: 2015-04-16   Modified: 2022-07-19  

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