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

2022 Fiscal Year Final Research Report

• 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
• Keywords: 座屈 / マルチフィジックス / 原子モデリング / 欠陥

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.

Free Research Field

計算材料科学

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．