計算機実験による直鎖状オリゴマーと光子間相互作用の検討

• 岩武 澄

  宇部工業高等専門学校専攻科生産システム工学専攻, 〒755-8555宇部市常盤台2丁目14番1号

• 成島 和男

  宇部工業高等専門学校電気工学科, 〒755-8555宇部市常盤台2丁目14番1号

書誌事項

タイトル別名

• Molecular Simulation of Photon Interaction with Linear Oligomers

抄録

Photomechanical materials in which the shape change of a high polymer is extracted as motion by photoirradiation are attracting attention lately. Nevertheless, details of the complicated mechanism of this photoirradiation-induced shape change have yet to be elucidated. Using molecular dynamics and the Monte Carlo method, we have conducted molecular simulations for a case in which a straight chain oligomer is irradiated by photons. Thereby, we have investigated the interaction between an oligomer and photon as the first step in elucidating photoirradiation-induced shape change. Results show that the oligomer's light absorption and the Compton effect between a photon and an oligomer cause a chemical energy change and bring about shape change. Furthermore, short-wavelength ultraviolet radiation has been found to cause greater shape change than infrared radiation does.

収録刊行物

• Journal of Computer Chemistry, Japan

  Journal of Computer Chemistry, Japan 13 (6), 337-339, 2015

  日本コンピュータ化学会

キーワード

• Oligomer
• Photoirradiation
• Photomechanical
• Molecular dynamics
• Monte Carlo method
• Compton effect

詳細情報

• CRID: 1390001205178411904
• NII論文ID: 130004725496
• DOI: 10.2477/jccj.2014-0046
• ISSN: 13473824
• ISSN: 13471767
• Web Site: https://www.jstage.jst.go.jp/article/jccj/13/6/13_2014-0046/_pdf
• 本文言語コード: en
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