Liquid Crystal Anchoring at a Polymer Surface

[00:29 . 35]泰勒液晶分子在表面上采取特定方向的倾向被称为锚定。这种现象是液晶显示设备的核心。这项资助的研究目的是探索吸附液晶分子的特定取向所需的物理条件。原子分子动力学模拟将用于研究液晶（最初是线虫原5cb）在各种聚合物表面的锚定。这些模拟的结果将与系留分子动力学的一些分析理论进行比较。特别是，这些研究将试图回答：(1)与宏观表面形貌相比，聚合物分子在衬底表面的微观链取向的相对重要性是什么？(2)基板的热振动对锚定起什么作用？(3)电偶极子在确定表面分子取向方面的作用是什么，最后(4)中介体的柔性部分在锚定中起什么作用。在液晶显示器件中，一个重要的物理现象是锚定。这是指液晶分子吸附在表面时，根据其物理环境选择特定取向的倾向。这项拨款支持研究影响这一方向选择的因素。这项工作是利用高速计算机进行分子动力学模拟的

0072935TaylorThe tendency of molecules of liquid crystal to adopt a particular orientation at a surface is known as anchoring. This phenomenon is at the heart of liquid crystal display devices. The research objective of this grant is to explore the physical conditions necessary for a specific orientation of the adsorbed liquid crystal molecule. Atomistic molecular dynamics simulation will be used to study the anchoring of a liquid crystal (initially nematogen 5 CB) at various polymer surfaces. The outcome of these simulations will be compared with some analytical theories of the dynamics of tethered molecules. In particular, the studies will try to answer: (1) What is the relative importance of the microscopic chain orientation of the polymer molecules in the substrate surface, in comparison to the macroscopic surface morphology? (2) What role do the thermal vibrations of the substrate play ion the anchoring? (3) What is the effect of the electric dipoles in determining the molecular orientation at the surface, and, finally (4) What role does the flexible part of the mesogen play in anchoring.%%%In the liquid crystal display devices, an important physical phenomenon is anchoring. This refers to the tendency of the liquid crystal molecule, while adsorbed on a surface, to select a specific orientation depending on its physical environment. This grant supports research to study the factors which influence the selection of this orientation. The work in carried out using molecular dynamics simulations using high-speed computers.***