Coarse-grained Simulation Study for the Surface and Interface of the Polymeric Materials

DOI DOI Web Site 37 References Open Access
  • MORITA Hiroshi
    National Institute of Advanced Industrial Science and Technology (AIST)

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Other Title
  • ゴムのシミュレーション技術　　高分子材料の表面・界面における粗視化シミュレーション
  • 高分子材料の表面・界面における粗視化シミュレーション
  • コウブンシ ザイリョウ ノ ヒョウメン カイメン ニ オケル ソシカ シミュレーション

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Description

Recently the physical properties of the surface and the interface of polymeric materials are analyzed by several experimental methods in a few nanometer scales. On the other hand, the analysis is also needed from the point of view of polymer chain. Our group studied the phenomena of polymer materials in the point of view of polymer chain dynamics using the coarse-grained molecular dynamics simulation. In this review, we show two topics listed below; the local glass transition temperature at the surface and interface, and the polymer chain dynamics at the friction force microscopy using atomic force microscopy. In the first topics, we studied the local dynamics of polymer chains. The surface and interfacial glass transition temperatures which are also estimated by the experiments are measured by the mean square displacement analysis. In the second topics, we study the model simulation of the friction force to the polymer surface by probe tip in atomic force microscopy. In the series of simulation, we can observe the chain withdrawing and it is one of the important origin of the friction.

Journal

  • NIPPON GOMU KYOKAISHI

    NIPPON GOMU KYOKAISHI 82 (11), 472-477, 2009

    THE SOCIRETY OF RUBBER SCIENCE AND TECHNOLOGYY, JAPAN

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