偶极流体的理论研究

铁电液晶、磁流体等在现代功能材料中具有重要地位,对人们的现实生活也产生了深远影响.本文着力介绍包含球形粒子的偶极流体体系在没有外场情况下的一些结构和性质,以及偶极相互作用对该体系的影响.介绍了国外研究偶极流体所采用的最新方法,这有助于我们进一步了解偶极流体复杂的结构和相变性质.     

Magnetic fluids in an external field

Within mean field approximation we investigate the phase diagrams of magnetic fluids in presence of a magnetic field. In a finite field the magnetic phase transition is absent, but instead a line of first order liquid-liquid transitions ending in a critical point occurs for a magnetic interaction, which is sufficiently strong. Varying the magnetic field these critical points extend from the tricritical point at H=0 to a critical endpoint. For a fluid with Ising spins we calculate the critical lines and several tricritical exponents analytically. For Heisenberg fluids we obtain the phase diagrams from a numerical solution of the mean field equations of state. Received 20 March 1998     

Thermodynamic equilibrium in dielectric fluids

Summary A rigorous deduction of the thermodynamic-equilibrium condition is provided for a homogeneous, uncharged and linear dielectric fluid contained in an electrostatic field. Contrary to the previous ones, this deduction does not postulate the existence of a mechanical stress tensor and of a body force density in the polarized fluid. Then, the equilibrium condition is employed to obtain the mass density distribution of the fluid and to present a correct proof of the well-known formula for the attractive force between the plates of a plane-parallel capacitor immersed in the fluid.     

Low density quasi-two-dimensional dipolar hard spheres in an external field

Simulations of the low density structure of a quasi-2-dimensional system of dipolar hard spheres in a tilted external field are presented. A major finding is the occurrence, at a threshold value of the tilt angle, of a transition from a chain state to a state of regularly spaced columns whose width increases roughly linear with density.     

Theoretical investigations of rotational phenomena and dielectric properties in a nematic liquid crystal

The molecular dynamics (MD) simulation, based on a realistic atom-atom interaction potential, was performed on 4-n-pentyl-4'-cyanobiphenyl (5CB) in the nematic phase. The rotational viscosity coefficients (RVCs) γ _i, (i = 1, 2) and the ratio of the RVCs λ = - γ ₂/γ ₁ were investigated. Furthermore, static and frequency-dependent dielectric constants and ε were calculated using parameters obtained from the MD simulation. Time correlation functions were computed and used to determine the rotational diffusion coefficient, D _⊥. The RVCs and λ were evaluated using the existing statistical-mechanical approach (SMA), based on a rotational diffusion model. The SMA rests on a model in which it is assumed that the reorientation of an individual molecule is a stochastic Brownian motion in a certain potential of mean torque. According to the SMA, γ _i are dependent on the orientational order and rotational diffusion coefficients. The former was characterized using: i) orientational distribution function (ODF), and ii) a set of order parameters, both derived from analyses of the MD trajectory. A reasonable agreement between the calculated and experimental values of γ _i and λ was obtained. Received 22 March 2000 and Received in final form 8 October 2000     

Irregular dielectric or permeable bodies in an external field

An integral equation is derived for the electrostatic potential ψ that arises when a uniform dielectric body of arbitrary shape is placed in an applied electrostatic field. By expansion of ψ in a certain basic set, the integral equation becomes a set of linear equations for the expansion coefficients, and it is often practical to solve the set by truncation. As a test, the equations are applied to the problem of a spheroid in a uniform field, and they easily yield the standard results that are usually derived by introducing spheroidal harmonics. Either the integral equation or the equivalent linear equations can be solved in an iterative approximation (the analog of the Born approximation) when the dielectric constant of the body is not too far from unity. For bodies that differ from spherical or cylindrical ones by a small parameter λ, perturbation formulae are derived that solve the equations in powers of λ. The problem of a homogeneous permeable body of arbitrary shape in an external magnetostatic field is reducible to the dielectric problem, but in addition an alternate integral equation for the magnetic problem is discussed.     

偶极旋量玻色-爱因斯坦凝聚体在外场中的自旋混合动力学

探讨了外场中偶极旋量玻色-爱因斯坦凝聚体的静态和动力学行为.研究结果表明,可以调节外场、自旋交换相互作用和偶极-偶极相互作用来调控三组分之间的隧穿,控制布居数动力学演化范围和相对相位动力学行为. 关键词： 玻色-爱因斯坦凝聚 偶极-偶极相互作用 自旋混合动力学     

Chain formation in a monolayer of dipolar hard spheres under an external field

The phase behavior of a monolayer of dipolar hard spheres under an external field, which makes all dipoles of the monolayer orientate along its direction, is investigated. Using integral equation theory in the reference hypernetted chain (RHNC) approximation we calculate the correlation functions, which are used to obtain the response matrix of grand potential with respect to density fluctuations. The smallest eigenvalue of this response matrix determines the stability of the monolayer. When the smallest ei...     

Dynamics of dipolar glasses: elastic and dielectric properties

We have formulated a model for the coupled dynamics of the local polarization and the elastic deformations of dipolar glasses. Randomly interacting dipoles undergo a phase transition to a glassy state, which is signalled above T _c by a divergence of the relaxation time of the dipolar autocorrelation. Dipolar dynamics is directly observable in the dynamic dielectric susceptibility, for which we predict a power law dependence on frequency at and close to T _c. The slowing down of dipolar degrees of freedom also gives rise to dynamic critical anomalies in the elastic and structural properties, like the appearance of a central peak and divergence of the sound damping. All these phenomena are a consequence of dynamic scaling of the dipolar autocorrelation and hence interrelated. We discuss two scaling functions in detail: One is calculated within mean field theory and the other one is taken from numerical simulations of short range Ising spin glasses. The predictions of the model are in accordance with most experimental findings for dipolar glasses.     

Static dielectric properties of Stockmayer fluids

Dielectric constants for the Stockmayer fluid are computed both from the equilibrium fluctuations of the polarization and from the polarization response to an applied field in a molecular dynamics simulation with periodic boundary conditions and with the dipole interactions treated by the Ewald method. The dielectric constant at finite wavelength is obtained from a Kirkwood-like expression, while for uniform polarization fluctuations a different expression applies due to the absence of surface effects in the Ewald calculation. The results are nearly independent of the number (up to 500) of particles investigated, even at large values of the dipole moment. The dielectric constants obtained from the approximate solution of the hypernetted chain integral equation are considerably larger than the molecular dynamics results except at low dielectric constants. The external field simulation permits study of the non-linear dependence of the dielectric constant on the magnitude of the applied electric field.     

Neutrino dispersion properties in an external magnetic field

The neutrino self-energy operator Σ(p) in a magnetic field is calculated for the case of high-energy neutrinos, this corresponding to the crossed field approximation. The probability of the neutrino decay ν → e ^? W ⁺ is found by using the imaginary part of the operator Σ(p). A simple analytic result is obtained in the parameter region that is the most interesting from the physical point of view and which was not considered earlier. The contribution of an external magnetic field to the neutrino magnetic moment is calculated. The result obtained here for this contribution corrects formulas available previously.     

Heat capacities of the dipolar Yukawa model polar fluid

The Stockmayer fluid is often used to describe a polar fluid. The dipolar Yukawa (DY) fluid is also a useful model for such fluids and is convenient for theoretical applications. Here we use the mean spherical approximation (MSA) and perturbation theory (PT) to study the heat capacities of the DY fluid model of a polar fluid and compare these results with Monte Carlo simulations for this model polar fluid. We find that the DY fluid shows the same features as the Stockmayer fluid does; demonstrating the utility of the DY fluid and further finding that the MSA and PT approaches give reasonably accurate results for the heat capacity.     

RESEARCH NOTE WCA repulsive and attractive contributions to the thermodynamic properties at the vapour-liquid equilibrium

The Lennard-Jones attractive and repulsive contributions of intermolecular forces (as separated in the Weeks-Chandler-Andersen (WCA) theory) to the pressure and chemical potential of coexisting vapour and liquid phases are obtained by using an equation of state recently proposed by us. Some comments are given about the computer simulation results obtained by Plackov and Sadus (1997, Fluid Phase Equilib., 134, 77) using the McQuarrie-Katz separation of the intermolecular potential.     

Instability of a bubble in a liquid dielectric in an external electrostatic field

The sizes, charges, and number of daughter bubbles emitted during the development of instability with respect to the polarization charge in a uniform electrostatic field of a gas bubble in a liquid dielectric are found on the basis of the Onsager principle of minimum energy dissipation for nonequilibrium processes. Zh. Tekh. Fiz. 69, 10–13 (November 1999)     

Structure and dynamics of a dense dipolar system in an electric field and their relevance to electrorheological fluids

Results of computer simulations of a dense system of dipolar spheres in an electric field are summarized. Dissipative and Hamiltonian dynamics algorithms have been used to find energy minima of the system for varying particle densities. The structures obtained by these simulations are in reasonable agreement with experimentally observed structures in electrorheological (ER) fluids. Qualitative agreement is also obtained with the limited available experimental observations on the dynamics of ER fluids.     

Stability of a bubble in a dielectric liquid in an external electrostatic field

Critical instability conditions are found for a gas bubble in a liquid dielectric in a uniform external electrostatic field E ₀. It is shown that they depend both on the magnitude of E ₀ and on the properties of the liquid, as well as on the gas pressure in the bubble. In a linear approximation with respect to the square of the eccentricity of an equilibrium spheroidal form, the equilibrium eccentricity of the bubble exceeds the equilibrium eccentricity of a drop in the field E ₀. The gas pressure in the bubble lowers the critical electric field E ₀ for development of an instability in the bubble. Zh. Tekh. Fiz. 69, 43–48 (August 1999)     

Ground-state properties of the antiferromagnetic potts model in an external field

The ground-state properties of the antiferromagnetic q-state Potts model in an external field are studied. At the upper critical field this model may be mapped onto a hard-core lattice gas with activity z = q ?1. This allows us to get some exact results for the triangular lattice on which the corresponding hard hexagon problem has been recently solved by Baxter.     

Static properties of the one-dimensional planar ferromagnet in an external field

The thermodynamic functions and the correlation length of the classical one-dimensionalX Y model in an external field are calculated by the numerical integration of the transfer matrix equation in both ferro- and antiferromagnetic cases. We show that for a finite but weak magnetic field the low temperature structure of the ferromagnetic partition function consists of a spin-wave part and a factor corresponding to the interaction of topological excitations. The contributions of the soliton like topological objects to the static properties are calculated through a systematic perturbative method. Finally we discuss in detail the regions of validity of different analytical approaches by comparing them with our exact numerical solution.