Buckling-induced giant property response in nanostructures and mechanical design of novel devices

• Project/Area Number: 19H02020
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Review Section: Basic Section 18010:Mechanics of materials and materials-related
• Research Institution: The University of Tokyo
• Principal Investigator: Umeno Yoshitaka 東京大学, 生産技術研究所, 教授 (40314231)
• Co-Investigator(Kenkyū-buntansha): 島 弘幸 山梨大学, 大学院総合研究部, 教授 (40312392)
• Project Period (FY): 2019-04-01 – 2023-03-31
• Project Status: Completed (Fiscal Year 2022)
• Budget Amount: ¥17,420,000 (Direct Cost: ¥13,400,000、Indirect Cost: ¥4,020,000); Fiscal Year 2022: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000); Fiscal Year 2021: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000); Fiscal Year 2020: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000); Fiscal Year 2019: ¥9,230,000 (Direct Cost: ¥7,100,000、Indirect Cost: ¥2,130,000)
• Keywords: 座屈 / マルチフィジックス / 原子モデリング / 欠陥

Outline of Research at the Start

ナノ構造体において、座屈による急峻な変形に起因する巨大物性変化のメカニズムを原子モデリング解析によって明らかにするとともに、座屈変形を積極活用したナノデバイスの設計を行う。ひずみ－物性巨大応答を発現する最適構造・欠陥構造を検討することで、新奇デバイス創製のための指導原理を獲得する。申請者が独自に開発してきたマルチフィジックス原子シミュレーション法を用い、ナノ構造体で発現する特異な物性の解明（基礎）と、その効果を最大化するデバイス構造設計（応用）の両者を視野に入れた複眼的研究を推進する。

Outline of Final Research Achievements

By means of multiphysics approaches combining atomistic model analyses and electronic structure calculations, the buckling behavior and buckling-induced property alteration in nanostructures were investigated in detail. In axial buckling of nanotubes, the possibility of tuning buckling modes and behavior of band gap change with the aspect ratio was presented. The possibility of modulating buckling behavior by the inclusion of defects was also revealed. Moreover, we demonstrated the methodology of constructing a new framework of multiphysics interatomic potentials using a deep-learming model, which enables efficient predictions of electronic states associated with large deformation.

Academic Significance and Societal Importance of the Research Achievements

座屈による急峻な物性変化を利用した，新しい機序によるデバイス創製の可能性を示した．特に，構造パラメータや欠陥が座屈および物性変化の挙動に及ぼす影響を定量的に評価した結果は，座屈利用ナノチューブデバイス設計の道を拓く有用な知見と考えられる．電子状態予測のニューラルネットワークモデルは，様々な材料や物性に応用が可能であり，特に大変形に伴う物性変化に注目したナノ材料のマルチフィジックス研究を飛躍させるための，新しい有用な手法となり得る．

Research Products

• [Journal Article] Diameter-Change-Induced Transition in Buckling Modes of Defective Zigzag Carbon Nanotubes (2022)
  • Author(s): Umeno Yoshitaka、Kubo Atsushi、Wang Chutian、Shima Hiroyuki
  • Journal Title: Nanomaterials Volume: 12 Issue: 15 Pages: 2617-2617
  • DOI: 10.3390/nano12152617
  • Peer Reviewed / Open Access
• [Journal Article] Buckling-induced band-gap modulation in zigzag carbon nanotubes (2019)
  • Author(s): Umeno Yoshitaka、Sato Masanobu、Sato Motohiro、Shima Hiroyuki
  • Journal Title: Physical Review B Volume: 100 Issue: 15 Pages: 155116-155116
  • DOI: 10.1103/physrevb.100.155116
  • Peer Reviewed
• [Presentation] Atomistic model simulation of buckling behavior and band gap energy in compressed carbon nanotubes (2019)
  • Author(s): Y. Umeno, Ma. Sato, Mo. Sato, H. Shima
  • Organizer: EMN meeting on carbon nanostructures 2019
  • Int'l Joint Research / Invited
• [Presentation] Prediction of electronic density of states in atomistic structure using artificial neural network model (2019)
  • Author(s): A. Kubo, Y. Umeno
  • Organizer: ISAM4-2019: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics
  • Int'l Joint Research
• [Presentation] 構造欠陥がカーボンナノチューブの断面変形性に与える影響 (2019)
  • Author(s): 鎌田弥成，小澤健吾，梅野宜崇，島弘幸，佐藤太裕
  • Organizer: M&M2019材料力学カンファレンス
• [Remarks] 東大生研梅野研究室研究内容
  • URL: http://www.cmsm.iis.u-tokyo.ac.jp/research.html