局所秩序変数を用いた多段核生成現象の解析

DOI
  • 高橋 和義
    (国研)産業技術総合研究所 機能材料コンピュテーショナルデザイン研究センター

書誌事項

タイトル別名
  • Analysis of multistep nucleation using local order parameters

抄録

<p>  Multistep nucleation can be broadly classified into several types, in each of which the occurrence of precursor phenomenon is observed. However, the true nature and role of the precursor phenomenon are controversial. In this report, molecular dynamics simulations are performed for the nematic (N) to smectic (Sm) phase transition of uniaxial liquid crystals induced by supercooling. In the N-Sm transition, a precursor phenomenon, known experimentally as “pre-transition fluctuation,” in which the X-ray diffraction intensity increases at temperatures higher than the phase transition temperature, has been believed to be the generation of molecular clusters with Sm-like short-range order, although no direct evidence exists. To visualize the pre-transition fluctuation, appropriate local order parameters are introduced by applying machine learning. The development of the N-Sm transition through multistep nucleation is demonstrated, suggesting the true nature and role of pre-transition fluctuation.</p>

収録刊行物

詳細情報 詳細情報について

  • CRID
    1390298986213017600
  • DOI
    10.19009/jjacg.50-4-03
  • ISSN
    21878366
    03856275
  • 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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