Monte Carlo Study of Slot-waveguide Liquid Crystal Phase Shifters

Abstract

We present detailed Monte Carlo simulations of a simple model of a nematic liquid crystal slot waveguide shifter, investigating the effect of an applied electric external field. The simulations are based on the Lebwohl-Lasher lattice spin model with boundary conditions chosen to mimic the planar alignment as in Silicon Organic Hybrid waveguides and the homeotropic anchoring appropriate for Polydimethylsiloxane polymer walls. The external field is modeled by adding a term to the Hamiltonian which describes its coupling to the mesogenic molecules. We have investigated the effect of the external field on the optical transmission and the ordering across the cell.     

Design of Optical Directional Couplers Made of Polydimethysiloxane Liquid Crystal Channel Waveguides

We present numerical simulations of a directional coupler based on three-dimensional waveguides made of a nematic liquid crystal, acting as the waveguide core, infiltrated in polydimethysiloxane channels. Modeling is based on the combination of minimization of Oseen-Frank energy of the liquid crystal molecules with a beam propagation algorithm. Design of the coupler waveguides is optimized to minimize coupling lengths and maximise efficiencies. Such components can be made at low cost on flexible plastic substrates and can be also integrated with optofluidic devices for biomedical applications.     

Color Gamut of Liquid Crystal Polysiloxanest

Polysiloxanes with suitable side-chains form a cholesteric liquid crystal phase that can be applied to a substrate to produce a durable coating which exhibits strong colours below the glass transition temperature. The peak reflectance is almost 0.5 and a nearly 1.0 peak reflectance can be obtained using a half-wave retardation plate coated on both sides with the material and viewed from one direction against a black background. Values below 0.5 and between 0.5 and 1.0 have been also obtained using suitable solvents and alignment techniques. Many desired spectral reflectance distributions can be then obtained because of the additive color properties of such cholesteric coatings. As a result it is possible to produce a larger colour gamut than with real surface colours such as pigments and dyes. Employing commercially available material experimental work was carried out demonstrating a greatly expanded colour gamut on the chro-maticity diagram. Also it is possible to modify the spectral reflectance distribution of coloured substrates by coating them with a material having a reflectance peak at the desired band of wavelength.     

Surface Order Parameter and Polar Anchoring Energy in Nematic Liquid Crystals

The trends of temperature dependence of the surface order parameter and of the anchoring strength coefficient are theoretically evaluated in the Landau-de Gennes phenomenological theory for nematic liquid crystals. The cases of planar, homeotropic and tilted alignment at a planar limiting surface are considered. It is shown that the cases with surface order parameter greater than the bulk one or smaller than this can occur in function of the phenomenological coefficients in the surface free energy expression. The anchoring strength coefficient, W, diminishes when temperature approaches the nematic-isotropic point, after passing through a maximum in most of cases. The possibility of a non-zero anchoring strength at temperatures above the transition temperature is revealed. The obtained trends of W(T) describe well a large variety of experimental results from literature.     

晶体生长机制和生长动力学的蒙特卡罗模拟研究

采用动力学蒙特卡罗方法,对在完整光滑界面上低过饱和度溶液中的晶体生长机制和动态过程进行计算机模拟,得到了晶体生长速率与溶液过饱和度之间的关系以及晶体生长的表面形态.对以二维成核为主要生长机制的动力学生长规律进行分析,发现了二维成核生长的生长死区以及单核生长转变为多核生长时的过饱和度临界值,讨论了热粗糙度、表面扩散、台阶平均高度以及表面尺寸对晶体平均生长速率的影响.     

A Theoretical Study of Molecular Ordering of Some Smectic Liquid Crystals

Abstract

A theoretical investigation of molecular ordering of smectic C liquuid crystals C₈H₁₇O-C₆H₄-C₆H ₄-COO-C₆H₄-OC₈H₁₇ { A }, C₉H₁₉O-C₆H₄-COO- C₆H₄-COO-C₆H₄-NO₂ { B } and its binary mixtures { A+B } has been carried out by the method based on the Rayleigth-Schrodinger perturbation theory. The mutual arrangement of two molecules corresponding to the minimum of the total interaction energy between them U_pair has been established. The curves of the dependence of U_pair and its various contributions on displacement of molecules from each other along the molecular long X-axis and angle θ between molecules' long axes has been also computed in the minimum point vicinity. The obtained results make it possible to determine the peculiarities of the structural organization of molecules, as well as to construct a model of the structure of A and B compounds in different phases taking into account the most probable packing of molecules.     

Synthesis and Liquid Crystal Behavior of a Novel Ester Homologous Series

A novel ester homologous series of 4-[4’-n-alkoxy cinnamoyloxy] benzyl benzoates has been synthesized. The series consists of 12 homologues. Liquid crystal properties commence from the sixth member to the last member of the series with the exhibition of an enantiotropic nematic phase without the exhibition of any smectogenic mesophase. The remaining homologues do not exhibit liquid crystal behavior. The texture of the nematic phase is of the threaded or Schlieren type. The solid-nematic or isotropic transition curve adopts a zigzag path and the nematic-isotropic transition curve steeply rises and then falls in the phase diagram and behaves in normal manner. An odd–even effect is absent in the nematic-isotropic transition curve with an alteration of transition temperatures. The average thermal stability for the nematic mesophase is 153.1°C, and the nematogenic temperature ranges vary from 12°C to 50°C. Analytical data confirm the molecular structures of the homologues. The Liquid Crystal properties and transition temperatures were observed through an optical polarizing microscope, equipped with a heating stage. The mesomorphic characteristics of the novel ester series are compared with other, known and structurally similar series. The novel series is predominantly nematogenic with the absence of any smectogenic character, with relatively short mesophase temperature ranges and of the middle ordered melting type.     

半导体薄膜材料外延生长的蒙特卡罗模拟

半导体自组织生长量子点是一种新型半导体材料,它在纳米电子学、光电子学和生命科学中有广泛的应用前景,本文讨论了计算机模拟量子点的生长在材料设计中的重要意义,建立动力学蒙特卡罗二维模型, 通过获得的原子沉积的表面图样和对原子簇大小分布的数学统计,得到提高生长温度或者降低沉积速率等量子点外延生长的优化条件.     

Diamagnetic Anisotropy Measurements of Nematic Liquid Crystals

Electro-optic effect of liquid crystals in the presence of a magnetic field was investigated. Two independent techniques: magnetic field dependent threshold voltage and magnetic field-assisted relaxation time, were used to evaluate the diamagnetic anisotropy for three nematic liquid crystals: BDH-E7, RO-TN-103 and ZLI-1132. Correlation between the diamagnetic anisotropy and the molecular structures was obtained. This information is particularly important for synthesizing liquid crystal components with desired diamagnetic anisotropy.     

Optical Rotatory Power of a Cholesteric Liquid Crystal for Obliquely Incident Light Using Multiple Scaling

The axis of polarization of light propagating through a cholesteric liquid crystal rotates with the angular rotation per distance traversed termed rotatory power. The rotation is due to the helical array of the molecules rather than due to the individual molecules as is found, for instance, with light being propagated through a sugar solution. The De Vries model for rotatory power of a cholesteric liquid crystal is generalized using multiple scaling theory to include light traveling at an oblique angle to the pitch axis. The resulting expression is tested experimentally using a mixture of cholesteryl oleyl carbonate and cholesteryl chloride.     

Liquid crystals: applications and industry

Liquid crystals (LCs) are mesogenic phases of matter which combine liquid fluidity with crystalline solid properties. Precise knowledge of the molecular orientations – close to the boundaries and within the material bulk – is necessary for understanding their flow behaviour, especially in microfluidic settings. While the boundary conditions are set, passively, by surface-induced molecular orientations, the bulk orientation in flow is determined, actively, by the anisotropic coupling between the flow and the molecular orientation. Together, the surface and the bulk orientations offer a range of topological constraints within microfluidic channels, which affect the evolution and sustenance of flow-induced phenomena in LC-based systems. The concept of topological microfluidics can be extended to different classes of anisotropic fluids, allowing us to explore and to employ such fluids as complex functional materials for microfluidics, thereby significantly broadening the reach of conventional microfluidics.     

Role of the poly-dispersity and the dipolar interaction in magnetic nanoparticle systems: Monte Carlo study

In this paper, roles of the poly-dispersity and the dipolar interaction in frozen ferrofluid are studied by Monte Carlo method. A sample containing the uniaxial anisotropy and the random orientation is used to investigate. The temperature dependence of the coercivity is calculated to consider the magnetic phase transition under the influence of the dipolar interaction. We show that in the poly-dispersity and interacting sample, the temperature dependence of coercive field does not follow the classical expression, H_C/H_A = 0.48[1 − (T/T_B)^½]. We find that the transition temperature, which separates the anti-ferromagnetic and ferromagnetic states of strongly interacting sample, is not unique and it strongly depends on the variation of concentration. We also discuss about the concentration dependence of the coercivity at the different size distributions. At the finite temperature, the curve expresses a cusp which is due to the competition between the blocking and super-paramagnetic state at the low concentration. Therefore, we can see that the poly-dispersity also contributes to the complexity of magnetic phase of frozen ferrofluids.     

Dielectric Relaxation Spectroscopy of Liquid Crystal in Nematogenic Mesophase

In the present study, we report the dielectric behavior of a high temperature nematic liquid crystal (NLC) in both the planar as well as homeotropic alignments. To understand the mechanism of such high temperature NLC, we have performed dielectric spectroscopy in frequency range 100 Hz to 10 MHz. The different dielectric parameters, viz., effective dielectric permittivity and dielectric anisotropy of the sample have been determined with the variation of frequency and temperature. It is found that the dielectric parameters depend on dipole moment and rotation of side chain of molecule. The phase transition of this high temperature NLC has been confirmed by the DSC study.     

Photo Controlled Surfaces in Rheology of Liquid Crystals

The modified method for shear viscosity measurements of nematic liquid crystals (NLC) oriented by surfaces is described. The main modification is concerned with usage of photoalignment technique for preparation of mono-domain samples with an orientation controlled by a polarization state of the secondary light irradiation. It provides the azimuthal rotation of a sample at any desirable angle. Thus different geometries of shear flows can be realized after filling the measuring cell with a liquid crystal. The method is experimentally approved at investigation of Poiseuille decay flows of 4-pentyl-4-cyanobiphenyl (5CB) through the channels with a rectangular cross section. The proposed construction of the cell with different surface treatment provides measurements of the three principal viscosities coefficients (Miesowicz’ viscosities) with additional usage of electric field. A small amount (less than 0.2 ml) of a liquid crystal needed for measurements and simple measuring procedure makes the method to be useful for rheological studies of newly synthesised liquid crystal materials.     

Growth morphology of perfect and twinned face-centered-cubic crystals by Monte Carlo simulation

The effect of the relative growth rate between {1 1 1} and {1 0 0} faces on the growth morphology of perfect and twinned face-centered-cubic crystals was investigated with a Monte Carlo simulation considering both first-nearest-neighbor (FNN) and second-nearest-neighbor (SNN) interactions. When the bond energy ratio of SNN to FNN interactions is close to zero, the {1 1 1} twin planes make a reentrant edge, which enhances the growth rate on this plane, leading to a tabular growth shape. When the ratio is 0.25, the ridge side face of a tabular shape has the {1 0 0}/{1 0 0}/{1 1 1} structure instead of the {1 1 1}/{1 1 1} reentrant edge. In spite of disappearance of the reentrant edge, the side face has a higher growth rate than the top face because the {1 0 0} face still grows faster than the {1 1 1} face.     

Determination of the Birefringence,the Twist Angle and the Thickness of the Nematic Liquid Crystal Sample by Renormalized Transmission Ellipsometry

Abstract

The birefringence, the twist angle and the thickness of the nematic liquid crystal sample were determined by means of the renormalized transmission ellipsometry. It was proposed that conventional sandwich-type cell is applicable to this ellipsometry measurement and the simplified numerical fitting procedure based on the 4 × 4 matrix method can provide the dispersion of the ordinary and the extraordinary refractive indices. The resolution of the twist angle and cell thickness measurement reaches to 0.05 deg. and 0.05 μm, respectively.     

Smectic A-Nematic and Nematic-Isotropic Liquid Transitions in 8CB Liquid Crystal: Comparative Analysis

A differential heat flux calorimeter has been used to study the Smectic A-Nematic and Nematic-Isotropic Liquid transitions in 8CB liquid crystal. The Faktor and Hanks model under our working conditions enables us to distinguish first-order from second-order transitions by analysis of differential signal. The critical exponent values obtained justify the proportionality between Cp evolution and the normalized differential signal (differential signal divided by the scanning rate).     

The Electro-Optical Properties of Doping Polycyclic Aromatic Hydrocarbon Liquids in Twisted Nematic Liquid Crystals

In this paper, doping liquid materials to enhance the electro-optical (EO) properties of twisted nematic liquid crystals (NLCs) was presented. Two polycyclic aromatic hydrocarbon (PAH) liquids, toluene and 1-methylnaphthalene, were chosen as dopants in order to lower the driving voltage and response time of the NLCs. We find that the main reason of this phenomenon is due to a large amount of reduction in the rotational viscosity of PAH liquids doped NLCs. Without the drawbacks of aggregation that the solid nanoparticles could have, the method of doping liquids provides a more reliable choice for applications in various LC display systems.     

Scaled Particle Theory of a System of Spherocylinders: Extension of Calculations to High Pressures

The viscosity coefficients of nematic substances for corresponding orientation geometry introduced and measured for PAA and PAP by the author in the thirties are discussed from the actual point of view.

The great universality of these coefficients of viscosity and their utility for describing several dynamical phenomena has been shown. There is a quantitative agreement between the experimental data of those investigations and continuum hydrodynamical theory of nematics with the numerical values of viscosities measured by the author.

As a new field of application of flow in definite orientation geometry, the properties of smectics and closely connected problems of phase transitions, pretransition effects and reentrant phase has been discussed.