分子動力学シュミレーションによるバイナリー液晶の回転粘度の計算

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タイトル別名
  • Calculation of the rotational viscosity of binary liquid crystals by molecular-dynamic simulations

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説明

Rotational viscosity, γ1 of binary liquid crystal mixture was calculated by an atomistic molecular dynamic (MD) simulation. We tried calculations of two approaches. One is Non-equilibrium MD calculation is that the director of nematic ensemble is forced to rotate by a special force termed aliening force. The other caluculation is when the director of ensemble is rotated, the torque is constant and accordingly it brings a steady director rotation. The test mixture is consisted of 4-(4-phentylcyclohexyl)benzonitrile (PCH-5) and 4-(4-pentylcyclohexyl)phenylbenzoate (D-55). We made a special model that the aligning force applied to just PHC-5 molecules, and the calculation γ1 value on each MD methods was cattied out. According to comparison between these MD calculations and experiments, it has been found that both approaches are useful for estimation ofγ1 value of LC mixture.

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詳細情報 詳細情報について

  • CRID
    1390001205685858560
  • NII論文ID
    130005043790
  • DOI
    10.11538/ekitou.2006.0.169.0
  • ISSN
    24325988
    18803490
  • 本文言語コード
    ja
  • データソース種別
    • JaLC
    • CiNii Articles
  • 抄録ライセンスフラグ
    使用不可

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