Atomistic elucidation and control of the mechanical and thermal properties of nanocarbon hybrid structures

2017 Fiscal Year Final Research Report

• Project/Area Number: 15K05674
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Materials/Mechanics of materials
• Research Institution: The University of Electro-Communications
• Principal Investigator: SHINTANI Kazuhito 電気通信大学, 大学院情報理工学研究科, 教授 (00162793)
• Research Collaborator: IWATA Takuya ; SASAKI Ryo ; Mouri Keiichiro ; KATSU Hakuyo ; JOKO Yusuke ; YAMAZAKI Shota
• Project Period (FY): 2015-04-01 – 2018-03-31
• Keywords: ナノカーボン材料 / カーボンナノチューブ / 多環芳香族炭化水素 / ダイマー / グラフェン / ナノカーボン複合フィルム / リーバーグラフェン / ファンデルワールスヘテロ２層

Outline of Final Research Achievements

The properties of nanocarbon hybrids were investigated via molecular dynamics simulation. It was shown that polycyclic aromatic hydrocarbons (PAHs) are spontaneously encapsulated into a carbon nanotube, and form dimers which fill the CNT and result in a PAH stack. Indentation simulation for graphene-CNT hybrid films revealed the hybrid film of a single CNT-array exhibits softening at large deflections, while the hybrid film of two CNT-arrays exhibits hardening at large deflections. Tensile test for rebar graphene showed that graphene is strengthened via CNTs which are arranged at their grain boundaries. The thermal conductivity (TC) of a graphene/hBN heterobilayer with interlayer sp3 bonds is calculated, and it was shown that its TC is sharply reduced by the existence of interlayer sp3 bonds, and the TC has its minimum.

Free Research Field

ナノ材料力学