Mode-coupling theory for purely diffusive systems

A mode-coupling formalism is developed for multicomponent systems of particles performing diffusive motion in a uniform host medium. The mode-coupling equations are derived from a set of nonlinear fluctuating diffusion equations by expanding the concentration-dependent diffusion constants about their equilibrium values. From the mode-coupling equations the dominant long time behavior of current-current and super-Burnett correlation functions is derived. As specific applications I consider the long time behaviors of these correlation functions for collective and tracer diffusion in a one-component lattice gas with particle-conserving stochastic dynamics. The results agree with those from exactly solvable models and computer simulations.     

Dynamic light scattering of a concentrated multicomponent spherical particle solution

The“measured”dunamic structure function of highly concentrated and smallspherical colloidal system with a narrow distribution of particle sizes can be expressed in termsof the sum of two independent modes due to collective diffusion and polydispersity fluctuationsrespectively.The“measured”static structure functions S~M(K) is derived,and applied to cal-culate the polydispersity distribution.The relationship between the moments of the gammaparticle size distribution and the moments determined by a dynamic light scattering measure-ment is developed for the case when the particles are small and spherical.     

Correlation function of the amplitude and of the intensity fluctuation for a laser model near threshold

In extension of a preceding paper the correlation function of the amplitude and of the intensity fluctuation are calculated in the threshold region. The laser amplitude is treated as a classical random variable obeying a van der Pol equation with a noise term. In order to get correlation functions, the method of distribution functions is employed. The distribution functions are evaluated by the Fokker-Planck equation. The lowest eigensolutions of the Fokker-Planck equation are obtained approximately by a variational method.     

Density and current response functions in strongly disordered electron systems: diffusion,electrical conductivity and Einstein relation

We study noninteracting quantum charged particles (electron gas) subject to a strong random potential and perturbed by a weak classical electromagnetic field. We examine consequences of gauge invariance and charge conservation in the space of Bloch waves. We use two specific forms of the Ward identity between the one- and two-particle averaged Green functions to establish exact relations between the density and current response functions. In particular, we find precise conditions under which we can extract the current-current from the density-density correlation functions and vice versa. We use these results to prove a formula relating the density response and the electrical conductivity in strongly disordered systems. We introduce quantum diffusion as a response function that reduces to the diffusion constant in the static limit. We then derive Ficks law, a quantum version of the Einstein relation and prove the existence of the diffusion pole in the quasistatic limit of the zero-temperature electron-hole correlation function. We show that the electrical conductivity controls the long-range spatial fluctuations of the electron-hole correlation function only in the static limit.Received: 10 June 2003, Published online: 22 September 2003PACS: 72.10.Bg General formulation of transport theory - 72.15.Eb Electrical and thermal conduction in crystalline metals and alloys - 72.15.Qm Scattering mechanisms and Kondo effect     

Model independent features of the two-particle correlation function

The Hanbury-Brown Twiss correlation function for two identical particles is studied for systems with cylindrical symmetry. Its shape for small values of the relative momentum is derived in a model independent way. In addition to the usual quadratic “side”, “out” and “longitudinal” terms in the exponent of the correlator, a previously neglected “out-longitudinal” cross term is found and discussed. The model-independent expressions for the size parameters of the HBT correlation function are interpreted as lengths of homogeneity of the source, in distinction to its purely geometrical size. They are evaluated analytically and numerically for two specific thermal models featuring collective transverse and longitudinal flow. The analytic expressions derived allow one to establish qualitatively important connections between the space-time features of the source and the shape of the correlation function. New ways of parametrizing the correlation function and a new approach to the measurement of the duration of the emission process are suggested.     

近独立子系系统的统计规律(四)——巨正则分布函数

根据吉布斯系综理论导出了由任意数目刚性粒子构成的力学系统的巨正则分布函数、化学势及粒子数和能量涨落公式.并介绍了刚球模型下,对二维和三维近独立子系系统巨正则分布的计算机模拟,结果与理论完全一致.     

Microscopic theory of the long-wavelength modes of two-component plasmas and ionic liquids: III. The space-time correlation functions

The identity between the exact screening length obtained from the static charge density correlation function and the one which appears in the Einstein relation between the transport coefficients of electrical conductivity and mass diffusion is demonstrated from first principles. For the space-time correlation functions of the number densities we show that their long-wavelength behaviour is completely determined by the four hydrodynamical modes of the two-component system of neutral particles. For charged particle systems there are only three hydrodynamical modes while we have moreover to add the two charge relaxation modes in order to exhaust the long-wavelength limit of the first sum-rule. The strengths with which the various modes appear in the space-time correlation functions have been computed exactly in the limit of long wavelengths.     

Diffusion-relaxation distribution functions of miscible fluids measured in grossly inhomogeneous fields

In this paper, the recently developed technique of measuring diffusion-relaxation distribution functions in grossly inhomogeneous fields was applied to the characterization of bulk fluids. The measurements were conducted in a static stray field of a superconducting magnet at a Larmor frequency of 5 MHz, relevant for ex situ nuclear magnetic resonance applications in oil-well logging or materials testing. Results are presented for samples of water and hydrocarbon oils, including a number of crude oils. The measurements indicate strong correlations between diffusion coefficients and relaxation times that are sample specific. The diffusion-relaxation correlation function provides information on the correlation between the rotational and the translational diffusion coefficients of each component of the fluid.     

Directional region control of the thermal fractal diffusion of a space body

We present a directional region control(DRC) model of thermal diffusion fractal growth with active heat diffusion in three-dimensional space. This model can be applied to predict the space body heat fractal growth and study its directional region control. When the nonlinear interference term and the inner heat source term are generalized functions, the relationship between the particle aggregation probability and the interference terms can be obtained using the norm theory. We can then predict the aggregation form of particles in different regions. When the nonlinear interference terms in the model are expressed as a trigonometric function and its composite function, our simulations show that the DRC method of thermal fractal diffusion is effective and has reference value for the directional control of actual fractal growth systems.     

The poisson representation. II Two-time correlation functions

Basic formulas for the two-time correlation functions are derived using the Poisson representation method. The formulas for the chemical system in thermodynamic equilibrium are shown to relate directly to the fluctuationdissipation theorems, which may be derived from equilibrium statistical mechanical considerations. For nonequilibrium systems, the formulas are shown to be generalizations of these fluctuation-dissipation theorems, but containing an extra term which arises entirely from the nonequilibrium nature of the system. These formulas are applied to two representative examples of equilibrium reactions (without spatial diffusion) and to a nonequilibrium chemical reaction model (including the process of spatial diffusion) for which the first two terms in a systematic expansion for the two-time correlation functions are calculated. The relation between the Poisson representation method and Glauber-SudarshanP-representation used in quantum optics is discussed.     

Quantum statistical effects in nuclear reactions,fission, and open quantum systems

Quantum diffusion equations with time-dependent transport coefficients are derived from generalized non-Markovian Langevin equations. Generalized fluctuation-dissipation relations and analytical formulas for calculating friction and diffusion coefficients in nuclear processes are obtained. The asymptotics of the transport coefficients and of the correlation functions are investigated. The problem of correlation decay in quantum dissipative systems is studied. A comparative analysis of diffusion coefficients for the harmonic and inverted oscillators is performed. The role of quantum statistical effects during passage through a parabolic potential barrier is investigated. Sets of diffusion coefficient assuring the purity of states at any time instant are found in cases of non-Markovian dynamics. The influence of different sets of transport coefficients on the rate of decay from a metastable state is studied in the framework of the master equation for reduced density matrices describing open quantum systems. The approach developed is applied to investigation of fission processes and the processes of projectile-nuclei capture by target nuclei for bombarding energies in the vicinity of the Coulomb barrier. The influence of dissipation and fluctuation on these processes is taken into account in a self-consistent way. The evaporation residue cross sections for asymmetric fusion reactions are calculated from the derived capture probabilities averaged over all orientations of the deformed projectile and target nuclei.     

Rotational Brownian Motion: Trajectory,Reversibility and Stochastic Entropy

Stochastic motion of macrospins is similar to driven diffusion of Brownian particles on the surface of a sphere. One crucial difference is in how the micro-states transform under time reversal. This dictates the form of stochastic entropy production (sEP). An excess sEP in the reservoir, in addition to a Clausius term, may appear depending on the interpretation of stochastic trajectory, thereby, precluding such analysis without a detailed knowledge of the governing dynamics. To show this, we derive expressions of sEP using Fokker–Planck equation, and the ratio of probability distributions of time-forward and time-reversed trajectories. We calculate probability distributions of sEP using numerical simulations, and obtain good agreement with the detailed fluctuation theorem. Within adiabatic approximation, analytic form for the distribution function is also derived.     

芴二聚体三重激发态能量转移的理论研究

利用电子结构计算和电子转移速率理论,研究了芴二聚体的三重激发态能量转移过程. 应用限制性密度泛函理论构造得到非绝热态后,计算了控制能量转移的两个重要参数{电子耦合强度和重组能. 电子耦合强度的波动利用电子动力学模拟计算. 通过对上述参数相关函数的计算,成功得到了体系哈密顿量的对角元和非对角元波动,并应用微扰理论和波包扩散方法得到了能量转移速率. 结果表明,静态和动态的波动都明显地增加了能量转移速率,但是动态波动导致的速度增加却小于静态波动.     

Short-time correlations of many-body systems described by nonlinear Fokker–Planck equations and Vlasov–Fokker–Planck equations

Analytical expressions for short-time correlation functions, diffusion coefficients, mean square displacement, and second order statistics of many-body systems are derived using a mean field approach in terms of nonlinear Fokker–Planck equations and Vlasov–Fokker–Planck equations. The results are illustrated for the Desai–Zwanzig model, the nonlinear diffusion equation related to the Tsallis statistics, and a Vlasov–Fokker–Planck equation describing bunch particles in particle accelerator storage rings.     

Dynamic properties,scaling and related freezing criteria of two- and three-dimensional colloidal dispersions

The static and dynamic properties of 2- and 3-dimensional dispersions of strongly interacting colloidal spheres are examined. Quasi-2-dimensional dispersions of particles interacting by long range electrostatic and dipolar magnetic forces, respectively, are investigated using Brownian dynamics computer simulations with hydrodynamic interactions included. The dynamics of 3-dimensional bulk dispersions of charge-stabilized and neutral colloidal spheres is determined from a fully self-consistent mode-coupling scheme. For systems with long range repulsive interactions the dynamic correlation functions are shown to obey dynamic scaling in terms of a characteristic relaxation time related to the mean particle distance. Hydrodynamic interactions introduce a second characteristic length scale, and they lead to more restricted scaling behaviour with an enhancement of self-diffusion and, for 2-dimensional systems, to the divergence of the short-time collective diffusion coefficient. As a consequence of dynamic scaling, a dynamic criterion for the onset of colloidal freezing related to long-time self-diffusion is shown to be equivalent to a static freezing criterion related to the 2- and 3-dimensional static structure factors. Alternative freezing criteria are given in terms of the long-time and the mean collective diffusion coefficients.     

Reaction-Diffusion Processes, Critical Dynamics, and Quantum Chains

The master equation describing non-equilibrium one-dimensional problems like diffusion limited reactions or critical dynamics of classical spin systems can be written as a Schrödinger equation in which the wave function is the probability distribution and the Hamiltonian is that of a quantum chain with nearest neighbor interactions. Since many one-dimensional quantum chains are integrable, this opens a new field of applications. At the same time physical intuition and probabilistic methods bring new insight into the understanding of the properties of quantum chains. A simple example is the asymmetric diffusion of several species of particles which leads naturally to Hecke algebras and q-deformed quantum groups. Many other examples are given. Several relevant technical aspects like critical exponents, correlation functions, and finite-size scaling are also discussed in detail.     

Dynamical Theory of X-Ray Diffraction for Restricted Beams: II. Diffuse Scattering by a Porous Crystal

A theory of X-ray diffuse scattering of restricted beams by a porous crystal is developed. Models of cylindrical and ellipsoidal pores, as well as the pores in the form of rectangular and triangular prisms, are considered. For these pores, the expressions for correlation eigenfunctions, static Debye—Weller factors, and correlation volumes are derived. The effect of the inclination and spatial correlation of pores on the equal-intensity diffuse-scattering contours is analyzed. The influence of the pore size fluctuation on the scattered intensity distribution is demonstrated.     

Locally Resolving Measurements of PSD,Particle Concentration and Particle Velocity by Means of TFS with Dual Beams

Transmission fluctuation spectrometry with spatial correlation (TFS‐SC) is based on transmitting two beams of radiation through a flowing suspension, whereby the distance of the beam centers is varied. Thus, the spatial correlation of the transmission fluctuations of the two beams is determined as a function of the beam distance. By numerical modeling, the transition functions of the correlation are found as a function of beam distance, beam diameters, particle diameter and beam intersection angle. Experimentally determined spatial correlation spectra can be inverted to obtain the particle concentration and particle size distribution by using the theoretical transition functions for mono‐sized particles. In addition, time correlations can be used to extract information on particle velocity. Some experimental results obtained by TFS‐SC are presented and discussed. This method appears promising for application in the local resolving of measurements of PSD, particle concentration and particle velocity in two‐phase flows, both in the laboratory and in process control.     

A stochastic derivation of the multivariate master equation describing reaction diffusion systems

We derive the multivariate master equation describing reaction diffusion systems from a discrete form master equation in phase space, assuming that the elastic collisions of the chemically active substances with the inert carrier gas have relaxed. In this state of collisional equilibrium the stochastic operator modelling the displacement of the particles between spatial cells reduces to the random wall operator and the reactive collision term yields the usual birth and death operator. Correlation functions are derived and their validity is discussed.