5CB 液晶のネマチック相転移の分子動力学解析におけるレプリカ交換法の適用

DOI

書誌事項

タイトル別名
  • Application of replica-exchange method in molecular dynamics analysis of nematic phase transition of 5CB liquid crystal

抄録

<p>The isotropic-nematic phase transition of a 5CB liquid crystal system is simulated using conventional temperature-based replica exchange method (tREM) and generalized replica exchange method (gREM). gREM is an extended ensemble optimized for the first-order phase transition. The ensemble sampling weights are based on the enthalpy, which enhances replica exchange near the phase transition temperature. In this isotropic-nematic phase transition, gREM works well with larger system sizes to simulate the phase transition more efficiently than tREM.</p>

収録刊行物

詳細情報 詳細情報について

  • CRID
    1390573726308531584
  • DOI
    10.11538/ekitou.2021.0_pf16
  • ISSN
    24325988
    18803490
  • 本文言語コード
    ja
  • データソース種別
    • JaLC
  • 抄録ライセンスフラグ
    使用不可

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