• 文献标题:   The dynamics of 4-cyano-4-n-pentylbiphenyl (5CB) mesogen molecules located between graphene layers-MD study
  • 文献类型:   Article
  • 作  者:   GWIZDALA W, GORNY K, GBURSKI Z
  • 作者关键词:   mesogenic cluster, liquid crystal, ultrathin mesogenic layer, molecular dynamics simulation md, 5cb
  • 出版物名称:   SPECTROCHIMICA ACTA PART AMOLECULAR BIOMOLECULAR SPECTROSCOPY
  • ISSN:   1386-1425
  • 通讯作者地址:   Univ Silesia
  • 被引频次:   10
  • DOI:   10.1016/j.saa.2010.08.040
  • 出版年:   2011

▎ 摘  要

The ultrathin film of mesogenic molecules 5CB confined between graphene walls has been investigated by molecular dynamics (MD) technique. The dynamical observables of 4-cyano-4-n-pentylbiphenyl (5CB) were calculated for several temperatures: the mean square displacement, translational and angular velocity autocorrelation function, and second-rank order parameter. (C) 2010 Elsevier B.V. All rights reserved.