Suppr超能文献

混合液晶盒中向列相-各向同性相转变的密度泛函理论研究

Density functional theory study of the nematic-isotropic transition in an hybrid cell.

作者信息

Rodríguez-Ponce I, Romero-Enrique J M, Rull L F

机构信息

Physik Department, Technische Universität München, James-Franck-Strasse, D-85747 Munich, Germany.

出版信息

J Chem Phys. 2005 Jan 1;122(1):14903. doi: 10.1063/1.1829041.

Abstract

We have employed the density functional theory formalism to investigate the nematic-isotropic capillary transitions of a nematogen confined by walls that favor antagonist orientations to the liquid crystal molecules (hybrid cell). We analyze the behavior of the capillary transition as a function of the fluid-substrate interactions and the pore width. In addition to the usual capillary transition between isotropiclike to nematiclike states, we find that this transition can be suppressed when one substrate is wet by the isotropic phase and the other by the nematic phase. Under this condition the system presents interfacelike states which allow us to continuously transform the nematiclike phase to the isotropiclike phase without undergoing a sharp phase transition. Two different mechanisms for the disappearance of the capillary transition are identified. When the director of the nematiclike state is homogeneously planar-anchored with respect to the substrates, the capillary transition ends up in a critical point. This scenario is analogous to the observed in Ising models when confined in slit pores with opposing surface fields which have critical wetting transitions. When the nematiclike state has a linearly distorted director field, the capillary transition continuously transforms in a transition between two nematiclike states.

摘要

我们采用密度泛函理论形式来研究被壁限制的向列型液晶的向列 - 各向同性毛细转变,这些壁对液晶分子具有相反的取向偏好(混合盒)。我们分析了毛细转变行为随流体 - 底物相互作用和孔隙宽度的变化。除了通常的从类各向同性态到类向列态的毛细转变外,我们发现当一个底物被各向同性相润湿而另一个被向列相润湿时,这种转变可以被抑制。在这种情况下,系统呈现出类似界面的状态,这使我们能够在不经历急剧相变的情况下,将类向列相连续转变为类各向同性相。我们确定了毛细转变消失的两种不同机制。当类向列态的指向矢相对于底物均匀地平面锚定时,毛细转变在一个临界点结束。这种情况类似于在伊辛模型中观察到的,当限制在具有相反表面场且有临界润湿转变的狭缝孔隙中时的情况。当类向列态具有线性扭曲的指向矢场时,毛细转变在两个类向列态之间的转变中连续变化。

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验