通过耦合降低随机行走的扩散速度(英文)

研究一个耦合的离散时间马尔可夫随机行走模型,将两个行走者耦合成对,通过改变演化到每一步时行走方向的分布情况,使得每个行走者有更大的概率向着它的共轭行走者的方向演化.在这种耦合方式下,增加耦合强度会使随机行走的扩散速度下降.最关键的问题是演化方向的分布情况,步长的分布情况只起次要作用.因为耦合,成对的行走者将进入某种同步状态.这种同步状态正是扩散速度下降的原因.     

Effect of High-Temperature Structure and Diffusion on Grain-Boundary Diffusion Creep in fcc Metals

Molecular dynamics simulations of high-energy twist and tilt bicrystals of fcc palladium reveal a universal, liquid-like, isotropic high-temperature diffusion mechanism, characterized by a rather low self-diffusion activation energy that is independent of the boundary type or misorientation. Medium-energy grain boundaries exhibit the same behavior at the highest temperatures; however, at lower temperatures the diffusion mechanism becomes anisotropic, with a higher, misorientation-dependent activation energy. Our simulations demonstrate that the lower activation energy at elevated temperatures is caused by a structural transition, from a solid boundary structure at low temperatures to a liquid-like structure at high temperatures. We demonstrate that the existence of such a transition has important consequences for diffusion creep in nanocrystalline fcc metals. In particular, our simulations reveal that in the absence of grain growth, nanocrystalline microstructures containing only high-energy grain boundaries exhibit steady-state diffusion creep with a creep rate that agrees quantitatively with that given by the Coble-creep formula. Remarkably, the activation energy for the high-temperature creep rate is the same as that characterizing the universal high-temperature diffusion in high-energy energy bicrystalline grain boundaries.     

Diffusion of directed polymers in a random environment

We consider a system of random walks or directed polymers interacting weakly with an environment which is random in space and time. In spatial dimensionsd>2, we establish that the behavior is diffusive with probability one. The diffusion constant is not renormalized by the interaction.     

Molecular-Dynamics Simulation of Grain-Boundary Diffusion Creep

Molecular-dynamics (MD) simulations are used, for the first time, to study grain-boundary diffusion creep of a model polycrystalline silicon microstructure. Our fully dense model microstructures, with a grain size of up to 7.5 nm, were grown by MD simulations of a melt into which small, randomly oriented crystalline seeds were inserted. In order to prevent grain growth and thus to enable steady-state diffusion creep to be observed on a time scale accessible to MD simulations (of typically 10^-9s), our input microstructures were tailored to (i) have a uniform grain shape and a uniform grain size of nm dimensions and (ii) contain only high-energy grain boundaries which are known to exhibit rather fast, liquid-like self-diffusion. Our simulations reveal that under relatively high tensile stresses these microstructures, indeed, exhibit steady-state diffusion creep that is homogenous (i.e., involving no grain sliding), with a strain rate that agrees quantitatively with that given by the Coble-creep formula.     

强磁场下顺磁掺杂离子的光谱扩散

采用一种简明的解析方法从纯粹频域的角度讨论强磁场下顺磁离子掺杂体系的光谱扩散过程。一般说来光谱扩散遵循[1-exp(-WT_w)]^x的形式,W是跳变速率,T_w为等待时间。在不存在冷冻核时,对于频域和时域x分别为1/2和1。考虑到冷冻核效应,光谱扩散的速率将近似地以因子(ω_eff/ω₀)²减慢,这里ω₀是描述冷冻核的特征频率。当冷冻核充分大时,频域和时域的光谱扩散的行为趋于一致x≈0.22。     

Diffusion of MgCl2 through nuclepore membranes of polycarbonate

Summary Diffusion of MgCl₂ through six different types of nuclepore membranes of polycarbonate has been studied. The change of concentration with time was determined by a conductivitymeter on line with a microcomputer. The measurements were carried out at temperatures between 20 and 50°C at 10°C intervals and at different concentrations in the range 2·10⁻⁴÷10⁻¹ equiv l⁻¹. The salt permeabilityP _ms of the membrane system, formed by the membrane itself and the two adjacent layers of diffusion, is obtained through methematical treatment of the concentrationvs. time results. We have studied the variation ofP _ms with concentration of solutions, the characteristics of the membrane and the temperature. Finally, we have estimated the activation energy of the diffusion process by using a kinetic model of the permeation.

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Riassunto Si è studiata la diffusione di MgCl₂ attraverso sei diversi tipi di membrane Nuclepore di policarbonato. Il cambiamento di concentrazione nel tempo è stato determinato da un misuratore di conduttività collegato con un microcomputer. Le misurazioni sono state effettuate a temperatura tra 20 e 50°C ad intervalli di 10°C e a differenti concentrazioni nell’intervallo 2·10⁻⁴÷10⁻¹ equiv l⁻¹. La permeabilità al saleP _ms del sistema membrana, formato dalla membrana stessa e da due strati adiacenti di diffusione è ottenuta attraverso la trattazione matematica dei risultati di concentrazionivs. il tempo. Si sono studiate la variazioneP _ma con la concentrazione delle soluzioni, le caratteristiche della membrana e la temperatura. Infine si è stimata l’energia di attivazione del processo di diffusione usando un modello cinetico di permeazione.

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Резюме Исследуется диффузия MgCl₂ через шесть различных типов ядерных мембран из поликарбоната. Изменение концентрации со временем определяется с помощью измерения проводимости в линию с микрокомпьютером. Измерения проводятся при температурах от 20 до 50°C с интервалом 10°C и при различных концентрациях в области 2.10⁻⁴÷10⁻¹. Проницаемость солиP _ms через мембранную систему, образованную самой мембраной и двумя соседними слоями диффузии, получается с помощью математической обработки зависимости концентрации от времени. Мы исследовали изменениеP _ms в зависимости от концентрации растворов, характеристик мембран и температуры. Б заключение, мы оцениваем энергию активации процесса диффузии, используя кинетическую модель проникновения.

     

Exact Tracer Diffusion Coefficient in the Asymmetric Random Average Process

We study tracer diffusion in the continuous-time asymmetric random average process which is an interacting particle system on generalizing the Hammersley process. From the equations of motion for the particle-position correlations we obtain the exact tracer diffusion coefficient which is in agreement with a recent heuristic result by Krug and Garcia.     

相位编码光学加密算法的扩散及混淆特性分析

为了阐明相位编码光学加密算法的扩散及混淆特性,基于傅里叶变换位移定理,从分组密码设计准则出发,以双随机相位光学加密算法为研究对象,分析了采用单个随机相位模板的2 f系统的扩散和混淆特性。将单随机相位加密过程分解为2个相互关联的过程,结果表明,傅里叶变换在加密算法中引入了混淆操作,而傅里叶变换结合随机相位模板实现了扩散操作。通过数值模拟对上述理论分析进行了验证,引入信息熵来评价加密图像的统计分布特性,进一步分析了菲涅尔域及分数阶傅里叶变换域随机相位加密算法的扩散混淆特性。研究表明,单随机相位加密和双随机相位加密图像的信息熵分布为7.038和7.157,而随机振幅加密图像信息熵为4.521。因而,随机相位加密算法比随机振幅加密算法能实现对信息更好地扩散。     

Short-Circuit Diffusion in Ceramics

This article discusses grain boundary diffusion in ceramics. It gives a brief review of the experimental data available for ionic oxides and the problems of interpretation associated with it. The fundamental differences between grain boundary diffusion in metals and ceramics are noted. Calculations of the segregation of defects and impurities to grain boundaries are discussed together with methods of calculating diffusion coefficients in these boundaries. New results for alumina and chromia are presented. The problem of defining a grain boundary width is discussed with respect to new calculations on nickel oxide.     

Electric field induced deformation of hemispherical sessile droplets of ionic liquid

Sessile droplets of an ionic liquid with contact angles close to 90° were subjected to an electric field E = V/w inside a capacitor with plate separation w and potential difference V. For small field induced deformations of the droplet shape the change in maximum droplet height, Δh = h(E) – h(0), was found to be virtually independent of the plate separation provided that w > 3h(0). In this regime a scaling law obtains Δh α E²r², where r is the constant droplet radius, in agreement with the asymptotic predictions of Basaran and Scriven (J. Coll. Int. Sci. 140, 10, 1990).     

Diffusion of oriented particles in porous media

Diffusion of particles in porous media often shows subdiffusive behavior. Here, we analyze the dynamics of particles exhibiting an orientation. The features we focus on are geometrical restrictions and the dynamical consequences of the interactions between the local surrounding structure and the particle orientation. This interaction can lead to particles getting temporarily stuck in parts of the structure. Modeling this interaction by a particular random walk dynamics on fractal structures we find that the random walk dimension is not affected while the diffusion constant shows a variety of interesting and surprising features.     

水分子在微孔隙介质中的受限扩散模拟

在饱和多相流体孔隙介质中,利用核磁共振测得的扩散系数可以区分油气水,并用于饱和度等岩石物理参数的求取,但在微小孔隙（< 20 μm）中,流体的表观扩散系数会偏离其自由扩散系数．通过有限差分和随机游走模拟方法对水分子在单孔隙及多孔隙介质中的扩散进行数值模拟,考察水分子扩散受限的程度．结合核磁共振在测井及实验室岩石物理应用的技术,进一步分析了受限扩散对求取油水饱和度等岩石物理参数造成的影响．同时,分析总结了两种模拟方法的使用条件及优缺点．     

Diffusion of 1,2,3-Benzotriazole as a Volatile Corrosion Inhibitor through Common Polymer Films Using the Molecular Dynamics Simulation Method

Diffusion of 1,2,3-benzotriazole (BT), as one of the volatile corrosion inhibitors (VCI) for copper and steel, through several polymers was investigated using molecular dynamics simulation (MD). MD were performed by employing the COMPASS force field to estimate the diffusivity of BT through polyethylene (PE), polypropylene (PP), polyvinyl chloride (PVC), and Nylon 6 as potential hosts for anticorrosion film packaging purposes. The diffusion coefficients (D) of BT in these polymers were calculated by constructing an amorphous cell, each containing BT and one of these polymers. After constructing the cell, a molecular dynamics simulation was performed to calculate the mean square displacement of the BT molecule. Simulation results showed that BT can diffuse through PVC easier than the other polymers. Among these hosts the Nylon 6 had the lowest D value, implying that this polymer can maintain BT for a long time. The temperature dependence of diffusion through PE, as the most common VCI film, was studied and the activation energy (Q_d) and pre-exponential diffusion coefficient (D₀) in Arrhenius equation were calculated.     

Diffusion,drift and their interrelation through volume density

The evolution of the understanding of the mass transport phenomena in solids and liquids allows for the unification of phenomenological models. The central Darken problem is considered from the choice of the coordinate axes for diffusion, i.e. the definition of this mode of motion and the method of diffusion displacement is defined and measured. Euler's and Liouville theorems are used extensively in the analysis. The formula is derived for volume density conservation, i.e. the volume continuity equation. This fundamental formula defines the volume-fixed frame of reference in the multicomponent solid, gas and liquid solutions. The volume-fixed frame of reference is self-consistent with the foundations of linear irreversible thermodynamics, except that is recognises the need to add volume density to the usual list of extensive physical properties undergoing transport in every continuum. Proposed modifications are self-consistent with the literature dating back to Onsager, the experiments of Kirkendall, their interpretation by Darken and recent generalized formulations. It will be shown that the method can be used in mechano-chemistry and electro-mechano-chemistry.     

Diffusion of Ag through Se and its effect on interferometric thickness measurement

The effect of diffusion of silver through Se thin films, on the visibility of two and multiple beam interference fringes has been studied. For thickness measurements, Al has been found to be a suitable overcoating metallic layer as it does not diffuse through Se. The thickness was measured by multiple beam fringes at reflection.     

Density-Dependent Diffusion in the Periodic Lorentz Gas

We study the deterministic diffusion coefficient of the two-dimensional periodic Lorentz gas as a function of the density of scatterers. Based on computer simulations, and by applying straightforward analytical arguments, we systematically improve the Machta–Zwanzig random walk approximation [Phys. Rev. Lett. 50:1959 (1983)] by including microscopic correlations. We furthermore, show that, on a fine scale, the diffusion coefficient is a non-trivial function of the density. On a coarse scale and for lower densities, the diffusion coefficient exhibits a Boltzmann-like behavior, whereas for very high densities it crosses over to a regime which can be understood qualitatively by the Machta–Zwanzig approximation.     

Diffusion controlled multiplicative process: typical versus average behaviour

We investigate the dynamics of the number of particles diffusing in a multiplicative medium. We show that the typical behaviour of the growth process is different from the average. We develop a new formalism to study the average growth process and extend it to the calculation of higher moments and finally of the probability distribution. We show that the fluctuations of the growth process increase exponentially with time. We describe the interesting features of the distribution.     

漫射近似在测量生物组织光学性质中的适用范围

漫射近似理论经常被用来作为测量生物组织光学特性参数实验和方法的理论基础,但是漫射近似理论只是一种对辐射传输理论的近似结果,在一定条件下有其特定的适用范围.为了确定漫射近似理论在活体非侵入式无损测量要求下的适用范围,本文采用Monte Carlo模拟校验的方法,对漫射近似理论和Monte Carlo模拟计算的结果进行了比较,给出了基于单散射反照率a和各向异性因子g的漫射近似理论适用范围数值标准.这一标准为漫射理论的应用提供了参考依据.     

A myopic random walk on a finite chain

We solve analytically the problem of a biased random walk on a finite chain of ‘sites’ (1,2,…,N) in discrete time, with ‘myopic boundary conditions’—a walker at 1 (orN) at timen moves to 2 (orN − 1) with probability one at time (n + 1). The Markov chain has period two; there is no unique stationary distribution, and the moments of the displacement of the walker oscillate about certain mean values asn → ∞, with amplitudes proportional to 1/N. In the continuous-time limit, the oscillating behaviour of the probability distribution disappears, but the stationary distribution is depleted at the terminal sites owing to the boundary conditions. In the limit of continuous space as well, the problem becomes identical to that of diffusion on a line segment with the standard reflecting boundary conditions. The first passage time problem is also solved, and the differences between the walks with myopic and reflecting boundaries are brought out.     

有机电致发光过程中扩散系数的Monte-Carlo模拟

用Monte-Carlo方法对有机电致发光的注入,迁移,复合过程进行了模拟,得到了δ函数电脉冲的扩散系数随时间变化的关系。通过分析,发现有机电致发光器件的物理特性可以通过两个基本的特性参数来表征：激活中心能纺方差σ,电场△E。通过将δ函数电脉冲扩散系数推广到直流电压时扩散系数对ITO／ROPPV（60nm)/Alq(40nm)/Al器件的电致变色现象进行了讨论。