Theory of thermal transport in nanowires

• Project/Area Number: 24656029
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Thin film/Surface and interfacial physical properties
• Research Institution: University of Tsukuba
• Principal Investigator: KOBAYASHI Nobuhiko 筑波大学, 数理物質系, 准教授 (10311341)
• Co-Investigator(Kenkyū-buntansha): KOBAYASHI Kazuaki 物質材料研究機構, 理論計算科学ユニット, 主幹研究員 (00354150)
• Co-Investigator(Renkei-kenkyūsha): ISHII Hiroyuki 筑波大学, 数理物質系, 助教 (00585127)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Project Status: Completed (Fiscal Year 2014)
• Budget Amount: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000); Fiscal Year 2014: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000); Fiscal Year 2012: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
• Keywords: 熱伝導 / ナノワイヤ / 理論

Outline of Final Research Achievements

We have developed a method of calculating thermal transport properties using non-equilibrium Green’s function techniques from atomistic levels. We applied the method to analysis of transport properties of nanowires and nanotubes. We have elucidated the temperature dependence and the crossover of thermal conductance from the usual behavior proportional to the cross-sectional area at room temperature to the universal quantized behavior at low temperature. We also find that this crossover of thermal conductance occurs smoothly for the quasi-one-dimensional materials. We also analyzed the phonon lifetime due to phonon-phonon scatterings by the anharmonic terms of interatomic forces.

Research Products

• [Journal Article] Electronic Band Structure of Various TiN/MgO Superlattices (2015)
  • Author(s): K. Kobayashi, H. Takaki, N. Kobayashi, and K. Hirose
  • Journal Title: JPS Conf. Proc. Volume: 5
  • DOI: 10.7566/jpscp.5.011013
  • Peer Reviewed / Open Access
• [Journal Article] Atomistic Calculations of Heat Transport in a Silicon Crystal (2014)
  • Author(s): N.Kobayashi, K.Yamamoto, H.Ishii, K.Hirose
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 12 Issue: 0 Pages: 154-156
  • DOI: 10.1380/ejssnt.2014.154
  • NAID: 130004438873
  • ISSN: 1348-0391
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] First-Principles Study of TiN/MgO Interfaces (2014)
  • Author(s): K. Kobayashi, N. Kobayashi, and K. Hirose
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 12 Issue: 0 Pages: 230-237
  • DOI: 10.1380/ejssnt.2014.230
  • NAID: 130004438884
  • ISSN: 1348-0391
  • Peer Reviewed / Open Access
• [Journal Article] Efficient Ab-Initio Electron Transport Calculations for Heterostructures by the Nonequilibrium Green’s Function Method (2014)
  • Author(s): H.Takaki, N.Kobayashi, K.Hirose
  • Journal Title: J. Nanomaterials Volume: 2014 Issue: 1 Pages: 172169-172169
  • DOI: 10.1155/2014/172169
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Electric and Thermal Transport Calculations through Interface and Applications to Thermoelectric Energy Conversion (2014)
  • Author(s): K.Hirose, K.Kobayashi, M.Shimono, H.Ishii, N.Kobayashi
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 12 Issue: 0 Pages: 115-118
  • DOI: 10.1380/ejssnt.2014.115
  • NAID: 130004933807
  • ISSN: 1348-0391
  • Peer Reviewed
• [Journal Article] Crossover to Quantized Thermal Conductance in Nanotubes and Nanowires (2013)
  • Author(s): Kohei Yamamoto, Hiroyuki Ishii, Nobuhiko Kobayashi, Kenii Hirose
  • Journal Title: Open Journal of Composite Materials Volume: 3 Issue: 02 Pages: 48-54
  • DOI: 10.4236/ojcm.2013.32a007
  • Peer Reviewed
• [Journal Article] On the Phononic Bandgap of Carbon Nanotubes (2013)
  • Author(s): Kohei Yamamoto, Hiroyuki Ishii, Nobuhiko Kobayashi, and Kenji Hirose
  • Journal Title: Journal of Nanomaterials Volume: 2013 Issue: 1 Pages: 1-4
  • DOI: 10.1155/2013/525070
  • Peer Reviewed
• [Journal Article] Thermal conductance calculations of silicon nanowires: comparison with diamond nanowires (2013)
  • Author(s): K.Yamamoto, H,Ishii, N.Kobayashi, K.Hirose
  • Journal Title: Nano. Res. Lett. Volume: 8 Issue: 1
  • DOI: 10.1186/1556-276x-8-256
  • Peer Reviewed
• [Journal Article] Thermal Conductance Calculations of Silicon Nanowires -Comparison with Diamond Nanowires- (2013)
  • Author(s): K.Yamamoto, H.Ishii, N.Kobayashi, and K. Hirose
  • Journal Title: Nano. Res. Lett. Volume: 印刷中
  • Peer Reviewed
• [Journal Article] Crossover to quantized thermal conductance in nanotubes and nanowires (2013)
  • Author(s): K.Yamamoto, H.Ishii, N.Kobayashi, and K. Hirose
  • Journal Title: Open J. Comp. Mat. Volume: 印刷中
  • Peer Reviewed
• [Presentation] 第一原理計算によるTiN/MgO超格子および薄膜の熱電特性 (2015)
  • Author(s): 高木博和，小林一昭，下野昌人，小林伸彦，広瀬賢二
  • Organizer: 日本物理学会 第70回年次大会
  • Place of Presentation: 早稲田大学
  • Year and Date: 2015-03-21 – 2015-03-24
• [Presentation] ナノ多層膜の熱伝導に関するMDシミュレーション解析 (2015)
  • Author(s): 下野 昌人、小林 一昭、高木 博和、小林 伸彦、広瀬 賢二、森 孝雄
  • Organizer: 日本金属学会２０１５年春期講演会
  • Place of Presentation: 東大駒場
  • Year and Date: 2015-03-19
• [Presentation] TiN/MgO超格子の熱電変換性能の理論計算 (2014)
  • Author(s): 髙木博和、小林一昭、下野昌人、小林伸彦、広瀬賢二
  • Organizer: 第11回日本熱電学会学術講演会
  • Place of Presentation: 物材機構、つくば
  • Year and Date: 2014-09-29 – 2014-09-30
• [Presentation] Electronic Band Structure of Various TiN/MgO Superlattices (2014)
  • Author(s): K. Kobayashi, H. Takaki, N. Kobayashi and K. Hirose
  • Organizer: CSW2014
  • Place of Presentation: Epochal, Tsukuba
  • Year and Date: 2014-08-21
• [Presentation] Atomistic calculations of thermal transport in nanosystems (2014)
  • Author(s): N.Kobayashi, K.Yamamoto, H.Ishii, K.Hirose
  • Organizer: ICN+T2014
  • Place of Presentation: Colorado, USA
  • Year and Date: 2014-07-20 – 2014-07-25
• [Presentation] 第一原理計算による原子間ポテンシャル作成と熱伝導計算への応用 (2013)
  • Author(s): 山本晃平、石井宏幸、小林伸彦、広瀬賢二
  • Organizer: 日本物理学会 第68回年次大会
  • Place of Presentation: 広島大学
• [Presentation] 第一原理計算を用いた金属・半導体界面における熱伝導計算 (2012)
  • Author(s): 山本晃平、石井宏幸、小林伸彦、広瀬賢二
  • Organizer: 日本物理学会 2012年秋季大会
  • Place of Presentation: 横浜国大
• [Presentation] Thermal Conductance Calculation of Silicon Nanowires (2012)
  • Author(s): K.Yamamoto, H.Ishii, N.Kobayashi, and K.Hirose
  • Organizer: Trends in Nanotechnology 2012
  • Place of Presentation: Madrid, Spain
• [Presentation] Atomistic Calculations of Heat Transport in Nanoscale Systems
  • Author(s): N. Kobayashi, K. Yamamoto, H. Ishii, K. Hirose
  • Organizer: 12th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
  • Place of Presentation: International Congress Center, Tsukuba
• [Presentation] Electric and Thermal Transport Calculations through Nanometer-Size Interface and Applications toward High-Efficient Thermoelectric Energy Conversion
  • Author(s): K.Hirose, K.Kobayashi, M.Shimono, H.Ishii N.Kobayashi
  • Organizer: 12th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
  • Place of Presentation: International Congress Center, Tsukuba
• [Presentation] First-Principles Study of TiN/MgO Interfaces
  • Author(s): K. Kobayashi, N. Kobayash, K. Hirose
  • Organizer: 12th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
  • Place of Presentation: International Congress Center, Tsukuba
• [Presentation] 第一原理計算による原子間ポテンシャル生成と熱伝導計算
  • Author(s): 山本晃平，石井宏幸，小林伸彦，広瀬賢二
  • Organizer: 日本物理学会2013年秋季大会
  • Place of Presentation: 徳島大学,徳島
• [Presentation] 非平衡グリーン関数を用いた熱伝導計算によるフォノン・フォノン散乱と界面散乱効果の解析
  • Author(s): 山本晃平，石井宏幸，小林伸彦，広瀬賢二
  • Organizer: 日本物理学会第６９回年次大会
  • Place of Presentation: 東海大学、神奈川
• [Presentation] ナノワイヤの熱伝導理論
  • Author(s): 小林伸彦
  • Organizer: 電気学会 ナノエレクトロニクス集積化・応用技術調査専門委員会 ナノデバイスの熱管理工学
  • Place of Presentation: 早稲田大学（東京）
  • Invited
• [Book] Quantum transport calculations for nanosystems (2014)
  • Author(s): K. Hirose and N. Kobayashi
  • Total Pages: 523
  • Publisher: Pan Stanford Publishing
• [Book] ナノワイヤ最新技術の基礎と応用展開 第II編７章 熱伝導・熱電性能 (2013)
  • Author(s): 広瀬賢二、小林伸彦
  • Total Pages: 14
  • Publisher: CMC出版
• [Book] Quantum Transport Calculations for Nanosystems (2013)
  • Author(s): K.Hirose, N.Kobayashi
  • Publisher: Pan Stanford Publishing
• [Remarks] 小林研ホームページ
• [Remarks] 筑波大学 小林研
  • URL: http://www.bk.tsukuba.ac.jp/~cmslab/
• [Remarks] 筑波大学 小林研究室
  • URL: http://www.bk.tsukuba.ac.jp/~cmslab/