Escape by diffusion from a square well across a square barrier

The problem of escape of a particle by diffusion from a square potential well across a square barrier is studied on the basis of the one-dimensional Smoluchowski equation for the space- and time-dependent probability distribution. For the model potential the Smoluchowski equation is solved exactly by a Laplace transform with respect to time. In the limit of a high barrier the rate of escape is given by an asymptotic result similar to that derived by Kramers for a curved well and a curved barrier. An approximate analytic formula is derived for the outward time-dependent probability current in terms of the width and depth of the well and the width and height of the barrier. A similar expression holds for the complete probability distribution.     

Transitions between wells and escape by diffusion in a one-dimensional potential landscape

The time-dependence of the occupation probabilities of neighboring wells due to diffusion in one dimension is formulated in terms of a set of generalized rate equations describing transitions between neighboring wells and escape across a final barrier. The equations contain rate coefficients, memory coefficients, and a long-time coefficient characterizing the amplitude of long-time decay. On a more microscopic level the stochastic process is described by a Smoluchowski equation for the one-dimensional probability distribution. A numerical procedure is presented which allows calculation of the transport coefficients in the set of generalized rate equations on the basis of the Smoluchowski equation.     

Diffusion in time dependent potentials: A systematic treatment

The motion of particles in modulated potentials is studied, starting from a Smoluchowski equation for the evolution of the probability distribution function. A general method to solve this explicitely time dependent Smoluchowski equation is presented and applied to the case of particles in time dependent double well potentials.For special kinds of time dependence (modulation of the barrier between the wells, modulation of the energy difference between the bottoms of the wells, modulated dilatation) the probability distribution function as well as the occupation probabilities of the two wells and the related time dependent transition probabilities are explicitely given and discussed.Part of this work has been presented at the MECO Conference 1980 held at Budapest, March 31–April 2, 1980     

Diffusion and convection after escape from a potential well

The escape by diffusion of a particle from a potential well in one dimension is strongly influenced by the application of a field in the adjacent half-space. At long times the probability distribution becomes a uniformly moving and steadily broadening gaussian in this half-space. The mean time of escape from the well is given by a simple expression in terms of the mean first passage time and the coefficient of the long-time tail in the occupation probability of the well in the absence of the field. Transient effects in space and time are studied in explicit form for a parabolic potential well.     

Derivation of Smoluchowski equations with corrections for Fokker-Planck and BGK collision models

The time evolution of the phase space distribution function for a classical particle in contact with a heat bath and in an external force field can be described by a kinetic equation. From this starting point, for either Fokker-Planck or BGK (Bhatnagar-Gross-Krook) collision models, we derive, with a projection operator technique, Smoluchowski equations for the configuration space density with corrections in reciprocal powers of the friction constant. For the Fokker-Planck model our results in Laplace space agree with Brinkman, and in the time domain, with Wilemski and Titulaer. For the BGK model, we find that the leading term is the familiar Smoluchowski equation, but the first correction term differs from the Fokker-Planck case primarily by the inclusion of a fourth order space derivative or super Burnett term. Finally, from the corrected Smoluchowski equations for both collision models, in the spirit of Kramers, we calculate the escape rate over a barrier to fifth order in the reciprocal friction constant, for a particle initially in a potential well.     

Localization or tunneling in asymmetric double-well potentials

An asymmetric double-well potential is considered, assuming that the wells are parabolic around the minima. The WKB wave function of a given energy is constructed inside the barrier between the wells. By matching the WKB function to the exact wave functions of the parabolic wells on both sides of the barrier, for two almost degenerate states, we find a quantization condition for the energy levels which reproduces the known energy splitting formula between the two states. For the other low-lying non-degenerate states, we show that the eigenfunction should be primarily localized in one of the wells with negligible magnitude in the other. Using Dekker’s method (Dekker, 1987), the present analysis generalizes earlier results for weakly biased double-well potentials to systems with arbitrary asymmetry.     

Time-dependent escape rate from a potential well

Time-dependent desorption from an interface is studied by obtaining the Green function for the Smoluchowski equation for a one-dimensional model potential barrier and calculating the time-dependence of the number density, particle current, and escape rate. The asymptotic behavior of the system for long times can be described by equations with independent rate constants. For high potential barriers (relative to k_BT) the Kramers expression for the escape rate is recovered, but for low barriers the escape rate can go through a maximum. The steady state Onsager model is related to the transient solution and numerical results are presented for different potential shapes and sizes.     

Joint probability distribution beyond the Smoluchowski limit for brownian motion in position space

We obtain a time convolutionless partial differential equation for the joint probability distribution in position space of a non-markovian brownian particle under the influence of some potential. We discuss the corrections to the Smoluchowski limit in this context.     

Ported from Self-Similar Analytic Solutions of Ginzburg--Landau Equation with Varying Coefficients

Employing the technique of symmetry reduction of analytic method, we solve the Ginzburg-Landau equation with varying nonlinear, dispersion, gain coefficients, and gain dispersion which originates from the limiting effect of transition bandwidth in the realistic doped fibres. The parabolic asymptotic self-similar analytical solutions in gain medium of the normal GVD is found for the first time to our best knowledge. The evolution of pulse amplitude, strict linear phase chirp and effective temporal width are given with self-similarity results in longitudinal nonlinearity distribution and longitudinal gain fibre. These analytical solutions are in good agreement with the numerical simulations. Furthermore, we theoretically prove that pulse evolution has the characteristics of parabolic asymptotic self-similarity in doped ions dipole gain fibres.     

Thermal desorption with large variable friction constant

The exact mean life-time for thermal desorption with a large friction constant and a rather general potential energy barrier is found using the Smoluchowski diffusion equation. The result shows explicitly the correction to Kramers' approximation for this problem when the potential energy barrier is not large compared tokT.     

Many-body effects in diffusion-limited kinetics

We review a novel approach to treating many-body effects in diffusion-limited kinetics. The derivation of the general expression for the survival probability of a Brownian particle in the presence of randomly distributed traps is given. The reduction of this expression to both the Smoluchowski solultion and the wellknown asymptotic behavior is demonstrated. It is shown that the Smoluchowski solution gives a lower bound for the particle survival probability. The correction to the Smoluchowski solution which takes into account the particle death slowdown in the initial process stage is described. The steady-state rate-constant concentration dependence and the reflection of many-body effects in it are discussed in detail.     

Asymptotics of harmonic microwave mixing in a sinusoidal potential

Analytic asymtotic results are derived for the harmonic microwave mixing voltage due to a stochastic charged particle trapped in the potential thoughs of a sinusoidal pinning potential. The time averaged probability distribution of the corresponding Smoluchowski equation is evaluated from a matrix continued fraction. The problem can be solved by Bessel functions with a field strength matrix appearing in the order index. It is found that the harmonic mixing voltage saturates at a finite value depending only on the microwave field strengths when the potential troughs become very deep compared to thermal energy.     

色散渐减光纤中Ginzburg-Landau方程的自相似脉冲演化的解析解

采用对称约简的分析方法，得出了变系数Ginzburg-Landau方程的抛物渐近自相似脉冲解析解的一般表达式.给出了二阶色散系数纵向双曲型变化和纵向指数型变化的色散渐减光纤中自相似脉冲的振幅、啁啾以及脉冲宽度的具体形式，并与数值解进行了对比，其结果符合得很好.从而证实了稀土元素掺杂的色散渐减光纤中，在增益色散因子的影响下，脉冲的演化具有抛物型自相似特性.     

Application of a singular perturbation expansion to the solution of certain Fokker-Planck equations

We show that a singular perturbation expansion for the solution of a parabolic equation can be applied to some Fokker-Planck equations arising in the analysis of the effects of noise on laser operations. A generalization to the approximate solution of the Smoluchowski equation, when diffusion is a small effect, is given.     

Matrix continued fraction solutions of the Kramers equation and their inverse friction expansions

The distribution function in position and velocity space for the Brownian motion of particles in an external field is determined by the Kramers equation, i.e., by a two variable Fokker-Planck equation. By expanding the distribution function in Hermite functions (velocity part) and in another complete set satisfying boundary conditions (position part) the Laplace transform of the initial value problem is obtained in terms of matrix continued fractions. An inverse friction expansion of the matrix continued fractions is used to show that the first Hermite expansion coefficient may be determined by a generalized Smoluchowski equation. The first terms of the inverse friction expansion of this generalized Smoluchowski operator and of the memory kernel are given explicitly. The inverse friction expansion of the equation determining the eigenvalues and eigenfunctions is also given and the connection with the result of Titulaer is discussed.     

Analytical Solution of Smoluchowski Equation in Harmonic Oscillator Potential

Non-equilibrium fission has been described by diffusion model. In order to describe the diffusion process analytically, the analytical solution of Smoluchowski equation in harmonic oscillator potential is obtained. This analytical solution is able to describe the probability distribution and the diffusive current with the variable x and t. The results indicate that the probability distribution and the diffusive current are relevant to the initial distribution shape, initial position, and the nuclear temperature T; the time to reach the quasi-stationary state is proportional to friction coefficient β, but is independent of the initial distribution status and the nuclear temperature T. The prerequisites of negative diffusive current are justified. This method provides an approach to describe the diffusion process for fissile process in complicated potentials analytically.     

Angle and speed distributions of hydrogen desorbing thermally from metal surfaces

A quantum theoretical treatment of the angle and speed distributions of recombinatively desorbing hydrogen from metal surfaces is proposed. The desorption rate is discussed in the framework of the transition state theory. The recombinative reaction process of hydrogen due to thermal activation leads to the formation of an activated complex in the transition state. In the vicinity of a saddle point on a three-dimensional potential energy surface, the translational motion of the activated complex in the direction perpendicular to the metal surface is accompanied by its center-of-mass vibrational motion parallel to the metal surface. In order to carry out the quantum mechanical calculation, the potential surface is replaced by a simplified model potential, which provides a square potential barrier along the surface normal. It is shown that, on leaving the potential barrier, the activated complex is reflected by the boundary of the potential barrier with a certain probability and, at the same time, the center-of-mass modes of vibration with frequencies v ₁ and v ₂ are coupled with the translational motion along the surface normal. Vibrational wave functions in the momentum representation are used to calculate the transmission coefficient, which is incorporated into the conventional rate formula. The angle-dependent speed distributions of desorbing molecules are derived from the rate formula.     

The Uphill Turtle Race; On Short Time Nucleation Probabilities

The short time behavior of nucleation probabilities is studied by representing nucleation as a diffusion process in a potential well with escape over a barrier. If initially all growing nuclei start at the bottom of the well, the first nucleation time on average is larger than the inverse nucleation frequency. Explicit expressions are obtained for the short time probability of first nucleation. For very short times these become independent of the shape of the potential well. They agree well with numerical results from an exact enumeration scheme. For a large number N of growing nuclei the average first nucleation time scales as 1/log N in contrast to the long-time nucleation frequency, which scales as 1/N. For linear potential wells closed form expressions are given for all times.     

Numerical evaluation of the Feynman integral-over-paths in real and imaginary-time

New techniques are described for Monte Carlo evaluation of the propagation of quantum mechanical systems in both real and imaginary-time using the Feynman integral-over-paths formulation of quantum mechanics. For imaginary-time calculations path translation is used to augment the technique of Lawande et. al. This simple-yet-powerful technique allows the equilibrium probability density to be accurately evaluated in the presence of multiple potential wells. It is shown that path translation permits the calculation of the unknown ground-state energy of one confining potential by comparison with the known ground-state energy of another. A double finite-square-well potential and a finite-square-well/parabolic-well pair are presented as examples. For real-time calculations, a weighted analytical averaging of the exponential in the classical action is performed over a region of paths. This “windowed action” has both real and imaginary components. The imaginary component yields an exponentially decaying probability for selecting paths, thereby providing a basis for the Monte Carlo evaluation of the real-time integral-over-paths. Examples of a wave-packet in a parabolic well and a wave-packet impinging upon a potential barrier are considered.