液晶胆甾相中的分子短程关联

向列相液晶的二粒子集团理论被推广应用于研究胆甾相二维模型.手征性分子固定在三维简单立方晶格的格点上,而分子取向限制在二维.理论结果表明,平衡态螺旋波矢依赖于温度的变化,且存在胆甾相到向列相相变.通过考虑分子间短程关联,二粒子集团理论的数值结果较平均场理论更接近Monte Carlo模拟结果.     

Influence of dipole-dipole correlations on the stability of the biaxial nematic phase in the model bent-core liquid crystal

A molecular theory of biaxial nematic ordering in the system of bent-core molecules has been developed in the two-particle cluster approximation which enables one to take into account short-range polar correlations determined by both electrostatic dipole-dipole interaction and polar molecular shape. All orientational order parameters and short-range correlation functions are calculated numerically as functions of temperature in the uniaxial and in the biaxial nematic phases, and the results are compared with the ones obtained in the mean-field approximation and in the cluster approximation but without taking into consideration the dipole-dipole interaction. It is shown that short-range polar correlations and, in particular, the dipole-dipole correlations dramatically increase the temperature of the transition into the biaxial nematic phase and enhancing its stability range. The results are also very sensitive to the value of the opening angle of a model bent-core molecule.     

Physics of colloidal dispersions in nematic liquid crystals

This article reviews the physics of colloidal dispersions in nematic liquid crystals as a novel challenging type of soft matter. We first investigate the nematic environment of one particle with a radial anchoring of the director at its surface. Three possible structures are identified and discussed in detail; the dipole, the Saturn-ring and the surface-ring configuration. Secondly, we address dipolar and quadrupolar two-particle interactions with the help of a phenomenological theory. Thirdly, we calculate the anisotropic Stokes drag of a particle in a nematic environment which determines the Brownian motion of particles via the Stokes–Einstein relation. We then turn our interest towards colloidal dispersions in complex geometries where we identify the dipolar configuration and study its formation. Finally, we demonstrate that surface-induced nematic order above the nematic-isotropic phase transition results in a strongly attractive but short-range two-particle interaction. Its strength can be controlled by temperature and thereby induce flocculation in an otherwise stabilized dispersion.     

Magnetic and electric birefringence in the isotropic phase of nematic liquid crystals

A theory is developed of the anomalous magnetic and electric birefringence in the isotropic phase of nematic liquid crystals taking into account orientational correlations between neighbouring molecules. Use is made of a modification of Bethe’s method due to Krieger and James, and the properties of the system are derived in terms of a single parameter, viz., the two-particle interaction constant. The expressions for the magnetic and electric birefringence are similar in form to those given by the phenomenological model of de Gennes. Theoretical curves forp-azoxyanisole reproduce the trends in the observed data. A calculation of the nematic-isotropic transition point confirms that this treatment is an improvement over the mean field approximation in describing pre-transition phenomena in the isotropic phase.     

Magnetic excitation spectra in BaFe2As2: a two-particle approach within a combination of the density functional theory and the dynamical mean-field theory method

We study the magnetic excitation spectra in the paramagnetic state of BaFe(2)As(2) from the ab initio perspective. Both the one-particle and the magnetic two-particle excitation spectra are determined within the combination of the density functional theory and the dynamical mean-field theory method. This method reproduces all the experimentally observed features in inelastic neutron scattering and relates them to both the one-particle excitations and the collective modes. The magnetic excitation dispersion is well accounted for by our theoretical calculation in the paramagnetic state without any broken symmetry; hence, nematic order is not needed to explain the inelastic neutron scattering experimental data.     

Extraordinary magnetic field effect in bent-core liquid crystals

A bent-core mesogen that forms a cybotactic nematic phase exhibits a giant magnetic field-induced shift of its nematic-isotropic and smectic-C-nematic transition temperatures: ΔT(H) = 4 K for H = 10 kOe. In contrast with molecular nematics, in cybotactic nematics the field couples with the anisotropic susceptibility of clusters containing several hundred partially ordered molecules. X-ray diffraction data corroborate a quantitative estimate of inferred cluster size (～300 molecules). The results represent an unequivocal demonstration of the cluster picture of the nematic phase of this class of nonlinear liquid crystals.     

Nematic-crystal transitions in liquid crystals

A lattice theory of phase transitions in a system of rod-like molecules is presented with application to liquid crystals. The first order transitions between nematic and crystal phases as well as between isotropic and nematic phases are obtained.     

Nematic liquid crystals formed by living amoeboid cells

Interacting cells have the ability to form liquid crystal phases: (i) A cluster of a polar nematic liquid crystal is formed by cells which emit molecules for attracting other cells and (ii) an apolar nematic liquid crystal is formed by elongated cells which have an anisotropic steric repulsion. The angle distribution function is predicted by using the characteristics of an automatic controller where the extracellular guiding field is approximated by two-dimensional mean-field. The nematic liquid crystal state is quite well described by the model. Received 7 September 1998 and Received in final form 4 March 1999     

Short-range correlations and inclusive nucleon-nucleus cross sections

The effect of short-range nucleon-nucleon correlations on inclusive inelastic cross sections is studied within the framework of Glauber theory. The correction term resulting from two-particle correlations corresponds to scattering from a deuteron-like cluster. The net effect is found to be negligibly small.     

Kinetic pathways for the isotropic-nematic phase transition in a system of colloidal hard rods: a simulation study

We study the kinetic pathways for the isotropic-to-nematic transition in a fluid of colloidal hard rods. In order to follow the formation of the nematic phase, we develop a new cluster criterion that distinguishes nematic clusters from the isotropic phase. Applying this criterion in Monte Carlo simulations, we find spinodal decomposition as well as nucleation and growth depending on the supersaturation. We determine the height of the nucleation barrier and we study the shape and structure of the cluster. More specifically, we find ellipsoidal nematic clusters with an aspect ratio of about 1.7 and a homogeneous nematic director field. Our results are consistent with theoretical predictions on the shape and director field of nematic tactoids. Classical nucleation theory gives reasonable predictions for the height of the nucleation barrier and the critical nucleus size.     

铁电液晶螺旋结构的理论近似研究

由铁电液晶（FLC）手性近晶C相下螺旋结构的理论近似计算得出FLC一个螺距内平均折射率的表达式,根据表达式可得出一个螺距内的FLC分子作为一个整体可以看成一个向列相液晶分子模型的结论.当FLC沿螺旋轴方向的厚度等于FLC螺距的整数倍时,液晶盒内垂直取向的FLC分子可看作向列相液晶模型组成的集合.ZLI-3654型FLC与5CB型向列相液晶的实验结果验证了上述结论,理论结果和实验结果一致.这一理论可为畸变螺旋FLC和垂直排列畸变螺旋FLC器件的制备以及FLC的应用提供理论指导和更深的认识. 关键词： 铁电液晶 螺距 平均折射率 向列相液晶     

Determination of the Maier-Saupe strength parameter from dielectric relaxation experiments: a molecular dynamics simulation study

Molecular dynamics simulations have been performed to investigate the rotational motion in the nematic and isotropic phases of a model mesogenic system in which the interactions between the molecules are represented by the Gay-Berne potential. First-rank end-over-end rotational relaxation times, analogous to those measured using dielectric relaxation spectroscopy for real mesogens with a longitudinal electric dipole, have been determined as a function of temperature and density. The relaxation times at temperatures throughout the nematic region are found to be larger than the values extrapolated from the isotropic phase to the same temperature. The simulation results are compared with the extended Debye theory for dielectric relaxation in the nematic phase. This relates the reduction in the relaxation rate to the retardation factor which depends on the Maier-Saupe strength parameter, and in turn is defined uniquely by the second-rank orientational order parameter. The simulations indicate that the retardation factor at constant strength parameter is density dependent, a feature neglected in the relaxation theory. We compare the simulation results where possible with experiment.     

Diagrammatic non-degenerate RSPT for evaluation of ground-state energy of simple open-shell molecular systems

The diagrammatic non-degenerate Rayleigh-Schrödinger perturbation theory and the coupled cluster approach are applied to the evaluation of the ground state energy of a simple open-shell molecular system described in the zeroth order approximation by a single determinant wavefunction. The corresponding hamiltonian is built up by the creation and annihilation operators introduced over an orthonormal set of restricted Hartree-Fock one-particle functions. The perturbation H₁ is composed of one- and two-particle terms, the one-particle term depending in an explicit way upon the type of restricted Hartree-Fock theory used. The efficiency of the elaborated theory is illustrated for the BeH molecule.     

Practical relativistic three-particle theory with arbitrary particle interactions

Relativistic three-particle equations are established by the rules of Blankenbecler and Sugar, which put the intermediate particles on the mass shell. By use of the Wightman-Gåding momenta we preserve the correct cluster properties, time-reversal invariance and avoid a spurious s = 0 singularity. A reduction to effective multichannel two-particle equations which is not restricted to separble potentials is discussed. Our approach admits the systematical application of perturbation theory to relativistic composite particle scattering problems.     

Structure,elasticity and phase transitions in liquid crystals with deformations

ABSTRACT

A molecular-statistical theory describing the nematic liquid crystals (LCs) with spherical inclusions (or point defects) is proposed. At given size of inclusions and nematic order parameters at the surfaces of inclusions (zero in the case of point defects) and far from inclusions (where the nematic LC is almost uniform), the distribution of nematic order parameters in the bulk of LC with inclusions was found to be fully determined by the elastic constants of LC. We have found and explained the two-step heat-driven transformation from the nematic phase into the isotropic phase, with the intermediate phase in between. The nematic order parameters and the elastic constants are evaluated in the framework of a unified approach based on the features of pair interaction potentials of the individual LC molecules. It is shown that, in the case of K₃₃ < K₁₁, the point defects should destroy the conventional nematic phase.     

Representation of pair correlations in nematics

A complete expansion of equilibrium pair correlation functions for a uniaxial nematic phase composed of axially symmetric, non-polar and chiral molecules is proposed. Full advantage is taken of the symmetry of the nematic state and of the molecules. The explicit analysis and classification of the terms involving spherical harmonics with indices not exceeding 4 is given and illustrated using computer simulations for the nematic phase of a Gay-Berne mesogen. The theory is contrasted with the commonly used approach employing invariants that describe orientational correlations in molecular fluids. The role of the new representation in obtaining a correct understanding of a variety of observables, like the elastic constants, is demonstrated. In particular, the long-standing puzzle concerning the splay-bend degeneracy is resolved. Received 11 April 2000 and Received in final form 19 July 2000     

Controlled Teleportation of an Arbitrary Two-Particle Pure or Mixed State by Using a Five-Qubit Cluster State

A new scheme for controlled teleportation of an arbitrary two-particle pure or mixed state with the help of a five-qubit cluster state is proposed in detail. In this scheme, a five-particle cluster state is shared by a sender, a controller and a receiver. At first, the sender performs a four-qubit von-Neumann measurement on the qubits at hand, and the controller performs a Hadamard measurement on his qubit. Then the receiver can reconstruct the arbitrary two-particle pure or mixed state by performing some appropriate unitary transformations on his particles after he knows the measure results of the sender and the controller. This controlled teleportation scheme is deterministic.     

向列相液晶沿面到垂面排列转变的分子场理论

以摩擦基板间的液晶薄层为研究对象,用分子场理论研究了向列相液晶分子排列转变行为.分子质心固定在简单立方晶格的格点上.液晶由极性分子构成,与基板相接触的一层分子同时受到色散和极性两类表面作用.通过自洽的数值计算,获得3种相图,清楚地展示了摩擦基板间向列相出现的从高温沿面到低温垂面排列的转变;获得实现这类转变所需要的两类表面作用的参数范围.结果表明:基板的摩擦会改变基板表面色散作用,但不会影响基板表面极性作用;表面极性相互作用能引起基板间向列相液晶发生沿面到垂面排列转变.     

Enhancement of optical nonlinearity in a guest-host system by nematic ordering

Second-harmonic generation (SHG) has been studied for understanding the enhancement mechanism for the second-order optical nonlinearity by the nematic (or axial) ordering in a liquid crystal doped with one-dimensional nonlinear optical (NLO) organic molecules. An extended version of the Maier-Saupe mean-field theory for nematic liquid crystals was developed to obtain analytical expressions for the second-order NLO coefficients in terms of the axial order, the polar order and the effective nematic potential. From the SHG data in a guest-host system composed ofN,N'-dimethylaminonitrostilbene molecules (0.5% by weight) and a liquid crystal, the enhancement of the second-order NLO coefficient,d ₃₃, by nematic ordering becomes almost 3, which agrees well with our theoretical predictions.