Brownian motion of nonlinear oscillators: The projection operator method and its application to a double-well-potential oscillator

A projection operator method is presented, which provides the most efficient way for calculating the stationary behavior of nonlinear Brownian motion. A continued-fraction expansion of the Fourier-Laplace transform of the displacement correlation function or the spectral density is used. This method utilizes a successive optimization procedure on the nonlinear terms and includes the method of statistical linearization as the lowest order approximation. A systematic way to calculate the continued fraction numerically up to sufficient order for convergence is developed, which enables us to obtain the spectral density of a system previously uncomputable.Numerical computations of the spectral density of a nonlinear oscillator with a double-well potential are presented and compared with the results obtained by statistical linearization.This work was supported in part by the National Science Foundation under Grant CHE 75-20624.     

On the theory of brownian motion. III. Two-body distribution function

The equation of evolution governing the probability density of a pair of heavy particles in a fluid of lighter particles is derived. The derivation starts from the Liouville equation and proceeds by expansion in the ratio of light to heavy masses, using the technique previously applied successfully to the singlet distribution.This work is part of research supported by NSF Grant GP-8497.     

Dissipative particle dynamics study of velocity autocorrelation function and self-diffusion coefficient in terms of interaction potential strength

This research focuses on numerically investigating the self-diffusion coefficient and velocity autocorrelation function (VACF) of a dissipative particle dynamics (DPD) fluid as a function of the conservative interaction strength. Analytic solutions to VACF and self-diffusion coefficients in DPD were obtained by many researchers in some restricted cases including ideal gases, without the account of conservative force. As departure from the ideal gas conditions are accentuated with increasing the relative proportion of conservative force, it is anticipated that the VACF should gradually deviate from its normally expected exponentially decay. This trend is confirmed through numerical simulations and an expression in terms of the conservative force parameter, density and temperature is proposed for the self-diffusion coefficient. As it concerned the VACF, the equivalent Langevin equation describing Brownian motion of particles with a harmonic potential is adapted to the problem and reveals an exponentially decaying oscillatory pattern influenced by the conservative force parameter, dissipative parameter and temperature. Although the proposed model for obtaining the self-diffusion coefficient with consideration of the conservative force could not be verified due to computational complexities, nonetheless the Arrhenius dependency of the self-diffusion coefficient to temperature and pressure permits to certify our model over a definite range of DPD parameters.     

Kinetic equations without “memory” for the time-displaced correlation functions

The relations between the kinetic equations with and without convolution in time are discussed on the basis of the kinetic equation for the Van Hove self-correlation function. Formal equivalence of both the equations is shown, and approximate scattering operators for the dilute-gas case and for the Brownian particle are considered.     

A unified approach for deriving kinetic equations in nonequilibrium statistical mechanics. I. Exact results

A unified method for deriving exact kinetic equations for dynamical quantities of a many-body system is presented. The well-known results of Mori and Zwanzig are recovered as special cases. Furthermore, it is shown that they differ only by the way in which the system is prepared at the initial time. Connections between this method and others recently developed are also discussed.     

The kinetic boundary layer around an absorbing sphere and the growth of small droplets

Deviations from the classical Smoluchowski expression for the growth rate of a droplet in a supersaturated vapor can be expected when the droplet radius is not large compared to the mean free path of a vapor molecule. The growth rate then depends significantly on the structure of the kinetic boundary layer around a sphere. We consider this kinetic boundary layer for a dilute system of Brownian particles. For this system a large class of boundary layer problems for a planar wall have been solved. We show how the spherical boundary layer can be treated by a perturbation expansion in the reciprocal droplet radius. In each order one has to solve a finite number ofplanar boundary layer problems. The first two corrections to the planar problem are calculated explicitly. For radii down to about two velocity persistence lengths (the analog of the mean free path for a Brownian particle) the successive approximations for the growth rate agree to within a few percent. A reasonable estimate of the growth rate for all radii can be obtained by extrapolating toward the exactly known value at zero radius. Kinetic boundary layer effects increase the time needed for growth from 0 to 10 (or 2 1/2) velocity persistence lengths by roughly 35% (or 175%).     

求坐标表象中压缩算符显式的3种方法

分别用提取变量积分法、正规乘积内的积分技术及投影算符转换法,得到了坐标表象中压缩算符的显式.     

On the derivation of quantum kinetic equations. II. Nonlocal Uehling-Uhlenbeck equation

The binary and triple collision terms of the quantum kinetic equation derived previously are analyzed in the weak coupling approximation. In this approximation the equation appears to be a nonlocal Markovian extension of the kinetic equation due to Uehling and Uhlenbeck. After linearization, its relationship with non-Markovian formulations found in the literature is studied.This investigation is part of the research program of the Stichting voor Fundamenteel Onderzoek der Materie (FOM), which is financially supported by the Nederlandse Organisatie voor Zuiver Wetenschappelijk Onderzoek (ZWO).     

Solution of the Fokker-Planck equation for the shock wave problem

An eigenexpansion solution of the time-independent Brownian motion Fokker-Planck equation is given for a situation in which the external acceleration is a step function. The solution describes the heavy-species velocity distribution function in a binary mixture undergoing a shock wave, in the limit of high dilution of the heavy species and negligible width of the light-gas internal shock. The diffusion solution is part of the eigenexpansion. The coefficients of the series of eigenfunctions are obtained analytically with transcendentally small errors of order exp(–1/M), whereM 1 is the mass ratio. Comparison is made with results from a hypersonic approximation.     

Studies in nonlinear stochastic processes. IV. A comparison of statistical linearization,diagrammatic expansion,and projection operator methods

We compare the methods of statistical linearization, perturbation expansions, and projection operators for the approximate solution of nonlinear multimode stochastic equations. The model equations we choose for this comparison are coupled, nonlinear, first-order, one-dimensional complex mode rate equations. We show that the method of statistical linearization is completely equivalent to the neglect of certain well-defined diagrams in the perturbation expansion resulting in the first Kraichnan-Wyld approximation, and to the retention of only Markovian terms in the projection operator method, i.e., those terms that are local in time.     

随机扩散模型一种新的密度函数统计方法

引入核函数法对随机扩散方程（SDE）样本的密度分布进行统计,希望用核函数来减少统计涨落。由于SDE样本的密度随时间发展,越来越稀疏,所以核函数也应该越来越大,也就是说核函数应该随时间在变化。通过一个瞬时释放的二维扩散问题（具有解析解）,从定性和定量两个角度比较了变带宽核函数法和传统统计方法在密度分布统计中的性能差别,论述了变带宽核函数法的优缺点,变带宽核函数法在牺牲部分峰值的前提下可以很好地解决SDE样本密度分布统计涨落问题,在工程应用中值得推广。     

Repeated application of the recursion operator for a new hierarchy of negative-order integrable KdV equations

ABSTRACT

In this work we use the repeated application of the recursion operator to establish a new hierarchy of negative-order integrable KdV equations of higher orders. The concept of the inverse recursion operator allows us to develop this new hierarchy. The complete integrability of each equation is guaranteed via the use of the recursion operator. We show that the dispersion relations of this hierarchy follow an infinite geometric series. Multiple soliton solutions for each equation of the hierarchy are obtained.     

The influence of temperature gradients on the kinetic boundary layer problem for a condensing droplet

We extend an earlier method for solving kinetic boundary layer problems to the case of particles moving in aspatially inhomogeneous background. The method is developed for a gas mixture containing a supersaturated vapor and a light carrier gas from which a small droplet condenses. The release of heat of condensation causes a temperature difference between droplet and gas in the quasistationary state; the kinetic equation describing the vapor is the stationary Klein-Kramers equation for Brownian particles diffusing in a temperature gradient. By means of an expansion in Burnett functions, this equation is transformed into a set of coupled algebrodifferential equations. By numerical integration we construct fundamental solutions of this equation that are subsequently combined linearly to fulfill appropriate mesoscopic boundary conditions for particles leaving the droplet surface. In view of the intrinsic numerical instability of the system of equations, a novel procedure is developed to remove the admixture of fast growing solutions to the solutions of interest. The procedure is tested for a few model problems and then applied to a slightly simplified condensation problem with parameters corresponding to the condensation of mercury in a background of neon. The effects of thermal gradients and thermodiffusion on the growth rate of the droplet are small (of the order of 1%), but well outside of the margin of error of the method.     

Velocity autocorrelation function for the motion of long-chain molecules in the free draining limit

The thermal motion of a long-chain molecule dispersed in a solvent is examined in terms of the velocity autocorrelation, in a reference frame attached to a subunit of the chain.     

Half-range completeness for the Fokker-Planck equation with an external force

This paper deals with a generalization of a classical result obtained by R. Beals and V. Protopopescu for the Fokker-Planck equations to the case in which a constant external force is present.     

On the Brownian motion of a massive sphere suspended in a hard-sphere fluid. I. Multiple-time-scale analysis and microscopic expression for the friction coefficient

The Fokker-Planck equation governing the evolution of the distribution function of a massive Brownian hard sphere suspended in a fluid of much lighter spheres is derived from the exact hierarchy of kinetic equations for the total system via a multiple-time-scale analysis akin to a uniform expansion in powers of the square root of the mass ratio. The derivation leads to an exact expression for the friction coefficient which naturally splits into an Enskog contribution and a dynamical correction. The latter, which accounts for correlated collisions events, reduces to the integral of a time-displaced correlation function of dynamical variables linked to the collisional transfer of momentum between the infinitively heavy (i.e., immobile) Brownian sphere and the fluid particles.     

On the validity of stochastic rate equations in finite systems with finite-strength interactions

Starting with the Hamiltonian for a linear harmonic chain of 2N particles of massm and one of massM, we have carried out numerical calculations for the momentum autocorrelation function of the mass defect particle for chains with finite numberN of mass points and for nonzero values of the mass ratio=m/M. These results have been compared with the well-known exponential relaxation of the momentum autocorrelation function which is found to be the rigorous result when passing to the thermodynamic and weak-coupling limit. In these limits, the dynamics of the mass defect particle is exactly described by a Fokker-Planck equation, i.e., a stochastic equation of motion. We have shown that, to an excellent approximation, an exponential relaxation of the momentum autocorrelation function is obtained for mass ratios as high as=0.1 and for chains with only 50 particles. Thus, for the harmonic chain considered here, the stochastic equations of motion can be applied to a very good approximation far outside the usually imposed thermodynamic and weak-coupling limits.Supported in part by the Advanced Research Projects Agency of the Department of Defense as monitored by the U.S. Office of Naval Research under Contract N00014-69-A-0200-6018 and by the National Science Foundation under Grant GP28257X.     

On the derivation of the generalized Langevin equation for interacting Brownian particles

The main result of this paper is a derivation of a generalized nonlinear Langevin equation (GLE) forn interacting particles in a bath. A consequence of the derivation is that the exact form of the (generalized) fluctuation-dissipation theorem is obtained. We discuss also the relation between the memory kernel of the GLE and some corresponding correlation functions which can be easily obtained in a molecular dynamics computer experiment. In the same spirit it is shown that the approach applies to a Brownian particle subjected to a stationary external field. The technique presented in a previous paper to simulate generalized Brownian dynamics can be easily extended to the present case. Our derivation intends to clarify the uses and (possibly) abuses of the Langevin equation in Brownian dynamics studies.     

LCoS背投光学引擎中变焦投影物镜设计

设计出变焦投影物镜，能满足相同光学引擎、相同屏幕位置下不同屏幕尺寸的需要。考虑到所设计的系统为大相对孔径、中等视场和小变焦比，从变焦理论出发，采用正组补偿的机械补偿法，对变倍组进行合理的倍率选段，求出了高斯解；然后分组元选用合理的初始结构，利用ZEMAX光学设计软件进行优化设计，解决了变焦系统畸变难以控制的问题，并使用调制传递函数对整个系统进行了综合评价。设计结果表明：该变焦投影物镜系统的光学性能和成像质量均满足设计指标要求，能应用于101.6～177.8cm的大屏幕电视。