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基于表面相互作用模型的胆甾相液晶中的局部双轴性

Local biaxiality in cholesteric liquid crystals from the surface interaction model.

作者信息

Frezzato Diego, Moro Giorgio J

机构信息

Dipartimento di Scienze Chimiche, Università di Padova, via Marzolo 1, Padova, Italy.

出版信息

J Chem Phys. 2008 Mar 14;128(10):104513. doi: 10.1063/1.2844596.

Abstract

The feature of local biaxiality of the orientational order in twisted nematics and cholesteric liquid-crystalline phases is faced by modeling the mean field orientational potential on the basis of the surface interaction model [A. Ferrarini, G. J. Moro, P. L. Nordio, and G. R. Luckhurst, Mol. Phys. 77, 1 (1992)]. Here we present a tool for the complete parameterization of the potential for general molecular structures and recover the long-pitch approximation usually invoked to model the molecular order in these phases. The method is applied to archetype molecular geometries (an ellipsoidal object, a conical object, a lath-shaped molecule, and the shape's enantiomers of a propellerlike molecule) in order to evaluate the dependence of the second-rank orientational order parameters on the pitch of the phase. Special emphasis is given to the so-called biaxiality parameter B [Z. Yaniv, N. A. P. Vaz, G. Chidichimo, and J. W. Doane, Phys. Rev. Lett. 47, 46 (1981)], which can be experimentally determined by the analysis of time-averaged (2)H-NMR spectra of deuterated probes dissolved in the twisted phase. The model calculations show how probes with different geometries are sensitive to the local biaxiality.

摘要

通过基于表面相互作用模型 [A. Ferrarini, G. J. Moro, P. L. Nordio, and G. R. Luckhurst, Mol. Phys. 77, 1 (1992)] 对平均场取向势进行建模,研究了扭曲向列相和胆甾相液晶相中取向序的局部双轴性特征。在此,我们提出了一种工具,用于对一般分子结构的势进行完整参数化,并恢复通常用于模拟这些相中分子序的长间距近似。该方法应用于原型分子几何结构(一个椭球体、一个圆锥体、一个板条状分子以及一个螺旋状分子的形状对映体),以评估二阶取向序参数对相间距的依赖性。特别强调了所谓的双轴性参数B [Z. Yaniv, N. A. P. Vaz, G. Chidichimo, and J. W. Doane, Phys. Rev. Lett. 47, 46 (1981)],它可以通过对溶解在扭曲相中的氘代探针的时间平均(2)H - NMR谱进行分析来实验测定。模型计算表明了具有不同几何形状的探针如何对局部双轴性敏感。

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