Monte Carlo simulations of nematic liquid crystal director structures confined to cylindrical cavity

Huai-rui YUE; Yan-jun ZHANG; Jian-fei LI

doi:10.3788/YJYXS20183307.0575

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Monte Carlo simulations of nematic liquid crystal director structures confined to cylindrical cavity

Material and Device | 更新时间：2020-07-06

- Monte Carlo simulations of nematic liquid crystal director structures confined to cylindrical cavity
- Chinese Journal of Liquid Crystals and Displays Vol. 33, Issue 7, Pages: 575-582(2018)
- 作者机构：
  
  河北工业大学理学院, 天津 300401
- 作者简介：
- 基金信息：
- DOI：10.3788/YJYXS20183307.0575
  CLC： O753.2
- Received：09 March 2018，
  
  Accepted：03 May 2018，
  
  Published：2018-07
- 稿件说明：
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Huai-rui YUE, Yan-jun ZHANG, Jian-fei LI. Monte Carlo simulations of nematic liquid crystal director structures confined to cylindrical cavity[J]. Chinese journal of liquid crystals and displays, 2018, 33(7): 575-582.
DOI：

Huai-rui YUE, Yan-jun ZHANG, Jian-fei LI. Monte Carlo simulations of nematic liquid crystal director structures confined to cylindrical cavity[J]. Chinese journal of liquid crystals and displays, 2018, 33(7): 575-582. DOI： 10.3788/YJYXS20183307.0575.

摘要

液晶分子被限定在柱状腔内，基于Gruhn-Hess两体势，通过Monte Carlo模拟方法，研究了径向边界条件及温度对柱状腔内向列相液晶PAA的指向矢结构的影响。文中计算了系统平衡后的二阶序参数、轴向序参数、径向序参数、角向序参数和指向矢快照图。在自由表面条件下，液晶分子在与柱轴垂直的面内呈均匀一致排列，而径向锚定作用下，指向矢结构为平面极性结构；在径向锚定作用下，随着锚定强度的增加，液晶分子在与柱状腔轴垂直的面内径向排列有序度增加；温度的变化会改变液晶分子的有序度，但不改变其指向矢结构。

Abstract

Based on modified Gruhn-Hess pair potential

the director structure of nematic liquid crystal PAA molecules which are confined in the cylindrical cavity with radial boundary conditions is studied by Monte Carlo simulation. After the balance of the cylindrical cavity system

we calculated the second order parameters

axial order parameters

radial order parameters

angular order parameters

and snapshots of the director. The results show that the liquid crystal molecules are uniformly aligned in a certain direction in the plane perpendicular to the axis of the cylindrical cavity under the free surface conditions and the director structure is a planar polar structure under the radial anchoring effect. Under the radial anchoring condition

with the increase of anchoring strength

the radial parameters of the liquid crystal molecules are increased. The changing temperature will change the ordering of the liquid crystal molecules

but it does not change its director structure.

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references

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