The formation of biaxial nematic phases in binary mixtures of thermotropic liquid-crystals composed of uniaxial molecules

ABSTRACT

Monte Carlo simulations in the isothermal-isobaric ensemble are used to investigate the formation of an ordered, biaxial nematic phase in a binary mixture of thermotropic liquid crystals. The orientational dependence of the interaction between molecules of each pure component is the same as in the well-known Maier-Saupe model; each pure component of the mixture is therefore capable of forming a uniaxial nematic phase. For the interaction between molecules of different components, we use the same Maier-Saupe model but change the sign of the coupling constant. As a consequence a T-shaped arrangement of these molecules is energetically favoured. The formation of the biaxial phase occurs in two steps. At higher temperatures T, one of the components forms a uniaxial nematic phase whereas the other is in a quasi two-dimensional restricted isotropic liquid state. We develop a simple theoretical model to understand the high degree of (ostensible) nematic order in the latter. At lower T, the second component becomes nematic and then the entire mixture of the two compounds has biaxial symmetry. The biaxial nematic phase does not demix into domains rich in molecules of one or the other species.     

Spectroscopy Study on Cobalt EDTA Complexes

The photoacoustic spectra of Co(H2EDTA)·3H20, Ca[Co(EDTA)H20]·4H20, Sr[Co(HEDTA)H20]2·4H20, Ba[Co(HEDTA)H20]2·4H20 complexes crystal are determined in the region of 300–800nm. In these spectra, the separations of absorption bands observed at 510nm and 650nm, the peak widths of 510nm band are variable in this series complexes. It is explained by the electron mutual effect, strength of ligand field and the symmetry of coordination group. The structure characters of these series complexes are also discussed.     

Correlation between liquid structure and glass forming ability in glassy Ag-based binary alloys

The atomic structures of liquid Ag-based binary alloys have been investigated in the solidification process by means of X-ray diffraction. The results of liquid structure show that there is a break point in the mean nearest neighbor distance r1 and the coordination number Nmin for glass-forming liquid, while the correlation radius rc and the coordination number Nmin display a monotone variational trend above the break point. It means glass-forming liquids have a steady changing in structure above liquidus a...     

Non-linearity parameter B/A of binary liquid mixtures at elevated pressures

When sound waves of high amplitude propagate, several non-linear effects occur. Ultrasonic studies in liquid mixtures provide valuable information about structure and interaction in such systems. The present investigation comprises of theoretical evaluation of the acoustic non-linearity parameter B/A of four binary liquid mixtures using Tong and Dong equation at high pressures and T=303.15 K. Thermodynamic method has also been used to calculate the non-linearity parameter after making certain approximations.     

Exact thermodynamic behavior of a generalized spin-isospin ising system on the Bethe lattice

We study a generalized Ising system consisting of a Bethe lattice on every site of which two spin-1/2 and two isospin-1/2 (or atomic species A) states can be realized, the spin-species interacting with appropriate nearest neighbor couplings. The system is equivalent to that of four states per site and we obtain its exact thermodynamic behavior. The case of a fixed concentration of species is the annealed or liquid magnetic binary alloy. The temperature dependence of the short-range-order (SRO) parameter of such systems is obtained as an application of the theory and discussed in connection with relevant material from the literature. When fixing both the concentration and the nearest neighbor spatial correlation of the species, we obtain Eggarter's formulas for the frozen-in species problem, which therefore are only approximately valid even on the Bethe lattice.     

Superconducting state parameters of La<Subscript>100-<Emphasis Type="Italic">C</Emphasis></Subscript>Ga<Subscript><Emphasis Type="Italic">C</Emphasis></Subscript> binary metallic glasses

The theoretical investigations of the superconducting state parameters (SSP) viz. electron-phonon coupling strength λ, Coulomb pseudopotential μ*, transition temperature T _C , isotope effect exponent α and effective interaction strength N _O V of six binary La_100-C Ga _C (C = 16, 20, 22, 24, 26 and 28 at. %) metallic glasses have been reported using Ashcroft’s empty core (EMC) model potential for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. It is observed that the electron-phonon coupling strength λ and the transition temperature T _C are quite sensitive to the selection of the local field correction functions, whereas the Coulomb pseudopotential μ*, isotope effect exponent α and effective interaction strength N _O V show weak dependences on the local field correction functions. The T _C obtained from H-local field correction function are found in qualitative agreement with available experimental data and show almost linear nature with the concentration (C) of ‘Ga’ element. A linear T _C equation is proposed by fitting the present outcomes for H-local field correction function, which is in conformity with other results for the experimental data. Also, the present results are found to be in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the metallic glasses.      

Energy of formation for and liquid binary alloys

We have investigated the free energy of formation for Ag_xIn_1-x and Ag_xSn_1-x liquid binary alloys at temperatures 1173 and 1250 K, respectively. A microscopic theory based on the first order perturbation has been applied. The interionic interaction and a reference liquid are the fundamental components of the theory. The interionic interaction is described by a local pseudopotential. A liquid of hard spheres (HS) of two different effective diametres and charges is used to describe the reference system. The results of the calculations for energy of formation agree very well with the available experimental data. Our calculations also reveal that a simple perturbative approach along with appropriate effective pair potentials can produce nearly quantitative results for the concerned alloys.     

新型双吡啶盐的合成及其作为硝酸根离子荧光增强型探针的性能研究

阴离子普遍存在于生命体和环境中,在化学、生物学、医学和环境领域都具有重要的作用,而硝酸根是其中一种非常重要的无机阴离子,对环境和人体健康都具有极大危害。目前测定硝酸根离子的方法主要有电化学法、离子色谱法和离子选择性电极法等。虽然各方法各具优势,但也存在明显不足。电化学法重现性差,而离子色谱法和离子选择性电极法需要较为复杂、昂贵的仪器及较长的分析时间。荧光光谱由于具有较高的灵敏度和操作简便等优点,近年来成为阴离子识别和检测领域的研究热点。以吡喃盐为起始原料,设计合成了一种新型的双吡啶盐化合物,通过核磁共振1 H谱、13 C谱以及高分辨质谱确定了其分子结构。并研究了其与不同阴离子的荧光识别性能,显示出对硝酸根离子明显的特异性识别。在双吡啶盐溶液中滴加硝酸根离子后,荧光呈现显著增强,而其他竞争性阴离子则淬灭初始荧光。通过荧光滴定实验证实双吡啶盐探针与硝酸根离子形成稳定的1∶1超分子配合物,稳定常数lgK=5±0.02。通过计算机模拟计算以及变温核磁共振波谱表明硝酸根离子与双吡啶盐上活性氢形成稳定的氢键,并诱导整个双吡啶盐分子的共平面性增大,荧光强度增强,从而达到选择性识别的效果。     

宽光谱超大孔径反衍望远系统设计

二元光学元件具有许多传统光学元件无法比拟的优越性。利用2个二元光学元件作为系统的物镜和目镜,通过确定各元件的基本结构、孔径大小,设计了25m的超大孔径反衍混合望远系统。所设计系统的弥散斑大小及MTF函数都能够达到设计要求。使用谐衍射透镜代替普通衍射透镜,对系统进一步改进,使望远系统获得了较宽的光谱范围。试验结果表明:改进后的系统无论在单一光谱、多频带光谱或者连续光谱范围,都能够获得接近衍射极限的成像质量。     

土壤含盐量与电导率的高光谱反演精度对比研究

探明土壤盐渍化的高光谱遥感监测机理,对改善高光谱遥感监测精度具有重要意义。以南疆地区温宿县、和田县、拜城县的水稻土为研究对象,通过分析土样的高光谱数据和室内测定的盐分与电导率数据,研究了耕作土壤含盐量与电导率的关系,并比较了含盐量和电导率与不同光谱指标的相关性以及二者高光谱反演的精度。结果表明,南疆水稻土的含盐量与电导率的相关性较低,二者之间的关系因地区差异而有较大的变化;含盐量与反射率、一阶微分、连续统去除之间的相关性要优于电导率,特别在一些土壤盐渍化的敏感波段尤为突出;以含盐量建立的多元线性回归、主成分回归、偏最小二乘回归模型的决定系数和相对分析误差均高于电导率。研究表明高光谱信息对土壤含盐量的响应比电导率更敏感,以含盐量为监测指标的高光谱反演精度明显要优于电导率。该结果可为提高土壤盐渍化高光谱遥感监测精度提供理论依据。