高等学校化学学报 ›› 2019, Vol. 40 ›› Issue (6): 1201-1206.doi: 10.7503/cjcu20190059

• 物理化学 • 上一篇    下一篇

长径比对椭球粒子液晶行为的影响

徐明杰1,2, 孙玉伟2,3, 朱有亮2,3(), 付翠柳2,3, 黄以能1,4(), 李占伟2,3, 孙昭艳1,2,3   

  1. 1. 伊犁师范大学物理科学与技术学院, 新疆凝聚态相变与微结构实验室, 伊宁 835000
    2. 中国科学院长春应用化学研究所, 高分子物理与化学国家重点实验室, 长春 130022
    3. 中国科学技术大学应用化学与工程学院, 合肥 230026
    4. 南京大学物理学院, 固体微结构物理国家重点实验室, 南京 210093
  • 收稿日期:2019-01-21 出版日期:2019-06-10 发布日期:2019-03-27
  • 作者简介:

    联系人简介: 朱有亮, 男, 博士, 副研究员, 主要从事软物质体系的多尺度模拟研究. E-mail: youliangzhu@ciac.ac.cn;黄以能, 男, 博士, 教授. 主要从事相变与微结构动力学研究. E-mail: ynhuang@nju.edu.cn

  • 基金资助:
    国家重点研发计划项目(批准号: 2018YFB0703701)、 国家自然科学基金(批准号: 21674116, 21790344, 21774129, 21833008)、 中国科学院前沿科学重点研究项目(批准号: QYZDY-SSW-SLH027)和吉林省科技发展计划项目(批准号: 20190101021JH)资助.

Effect of Aspect Ratio on Liquid Crystal Behavior of Ellipsoidal Particles

XU Mingjie1,2, SUN Yuwei2,3, ZHU Youliang2,3(), FU Cuiliu2,3, HUANG Yineng1,4(), LI Zhanwei2,3, SUN Zhaoyan1,2,3   

  1. 1. Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, College of Physical Science and Technology, Yili Normal University, Yining 835000, China
    2. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
    3. University of Science and Technology of China, School of Applied Chemistry and Engineering, Hefei 230026, China
    4. School of Physics, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China
  • Received:2019-01-21 Online:2019-06-10 Published:2019-03-27
  • Supported by:
    † Supported by the National Key R&D Program of China(No.2018YFB0703701), the National Natural Science Foundation of China(Nos.21674116, 21790344, 21774129, 21833008) , the Key Research Program of Frontier Sciences, Chinese Academy of Sciences(No.QYZDY-SSW-SLH027) and the Jilin Provincial Science and Technology Development Program, China(No.20190101021JH).

摘要:

利用Gay-Berne模型, 结合分子动力学模拟方法, 研究了粒子长径比对椭球粒子液晶行为的影响, 考察了粒子长径比对向列相和近晶相的影响. 结果表明, 长径比相对较小的粒子有利于向列相的形成, 而长径比相对较大的粒子更有利于近晶相的形成. 分析了近晶相和向列相形成的动力学过程.

关键词: 椭球粒子, 长径比, 向列相, 近晶相, Gay-Berne模型, 分子动力学

Abstract:

The Gay-Berne model and molecular dynamics simulation method was used to study the influences of aspect ratio on the liquid crystal behaviors of ellipsoidal particles, especially focusing on nematic and smectic phases. The results indicated that the ellipsoids with a relatively small aspect ratio favor the formation of nematic phases, while the ellipsoids with a relatively large aspect ratio prefer the formation of smectic phases. Furthermore, the formation processes of the nematic and smectic phases in detail were analyzed. The results provide theoretical guidance for designing different types of liquid crystals and understanding the formation mechanism of liquid crystal.

Key words: Ellipsoidal particle, Aspect ratio, Nematic phase, Smectic phase, Gay-Berne model, Molecular dynamics

中图分类号: