Cooling efficiency in collisions between Pd and He,Ne, Ar and Kr

The cooling of the metal cluster Pd₁₃ in an atmosphere of rare gas has been studied by means of computer simulation. By simulation, the average energy transfer in collisions between one cluster and one gas atom has been obtained. Emphasis has been placed on conditions when the temperatures of the colliding species are almost equal. All modes of motion, inclusive the translation, must be considered in order to obtain vanishing energy transfer at equilibrium. A simulation scheme is presented by which the energy transfer is zero to the cluster when the gas and the cluster temperatures are equal. At equilibrium the energy transfer does however not vanish for all impact parameters. In the collisions with Pd₁₃, the cluster is heated by collisions with a small impact parameter but equally cooled by collisions with a large impact parameter. Argon and krypton are found to cool Pd₁₃ equally efficiently while neon and helium are less efficient cooling agents. Received 28 September 2001 / Received in final form 8 August 2002 Published online 12 November 2002 RID="a" ID="a"e-mail: JanW@phc.gu.se     

Entropy generation (irreversibility) associated with flow and heat transport mechanism in Sisko nanomaterial

Here a novel applications of entropy generation optimization is presented for nonlinear Sisko nanomaterial flow by rotating stretchable disk. Flow is examined in the absence of magnetohydrodynamics and Joule heating. Total irreversibility rate (entropy generation rate) is investigated for different flow parameters. Heat source/sink and viscous dissipation effects are considered. Impacts of Brownian motion and thermophoresis on irreversibility have been analyzed. Governing flow equations comprise momentum, energy and nanoparticle concentration. Von Karman's similarity variables are implemented for reduction of PDEs into ODEs. Homotopy analysis technique for series solutions is implemented. Attention is given to the irreversibility. The impacts of different flow parameters on velocity, nanoparticle concentration, temperature and irreversibility rate are graphically presented. From obtained results it is examined that irreversibility rate enhances for larger estimation of Brinkman number and diffusion. Furthermore it is also examined that temperature and nanoparticle concentration show contrast behavior through Prandtl number and Brownian motion.     

On aggregate structures in a rod-like haematite particle suspension by means of Brownian dynamics simulations

We have investigated aggregation phenomena in a suspension composed of rod-like haematite particles by means of Brownian dynamics simulations. The magnetic moment of the haematite particles lies normal to the particle axis direction and therefore the present Brownian dynamics method takes into account the spin rotational Brownian motion about the particle axis. We have investigated the influence of the magnetic particle–field and particle–particle interactions, the shear rate and the volumetric fraction of particles on the particle aggregation phenomena. Snapshots of aggregate structures are used for a qualitative discussion and the cluster size distribution, radial distribution function and the orientational correlation functions of the direction of particle axis and magnetic moment are the focus for a quantitative discussion. The significant formation of raft-like clusters is found to occur at a magnetic particle–particle interaction strength much larger than that required for a magnetic spherical particle suspension. This is because the rotational Brownian motion has a significant influence on the formation of clusters in a suspension of rod-like particles with a large aspect ratio. An applied magnetic field enhances the formation of raft-like clusters. A shear flow does not have a significant influence on the internal structure of the clusters, but influences the cluster size distribution of the raft-like clusters.     

自由分子区内纳米颗粒的热泳力计算

基于非平衡态分子动力学模拟方法,研究了自由分子区内纳米颗粒的热泳特性.理论研究表明,纳米颗粒与周围气体分子之间的非刚体碰撞效应会明显地改变其热泳特性,经典的Waldmann热泳理论并不适用,但尚未有定量的直接验证.模拟计算结果表明:对于纳米颗粒而言,当气-固相互作用势能较弱或气体温度较高时,气体分子与纳米颗粒之间的非刚体碰撞效应可以忽略,Waldmann热泳理论与分子动力学模拟结果吻合较好;当气-固相互作用势能较强或气体温度较低时,非刚体碰撞效应较为明显,Waldmann热泳理论与模拟结果存在较大误差.基于分子动力学模拟结果,对纳米颗粒的等效粒径进行了修正,并考虑了气体分子与纳米颗粒之间的非刚体碰撞效应,理论计算结果与分子动力学模拟结果吻合较好.     

Brownian motion on a manifold as a limit of Brownian motions with drift

Let ?ⁿ be n-dimensional Euclidean space and let M ? ?ⁿ be a smooth compact m-dimensional Riemannian manifold (without boundary) embedded in ?ⁿ. By a Brownian motion on M we mean a Markovian process whose transition semigroup is defined by the generator ?½Δ_M, where Δ_M stands for the Laplace-Beltrami operator on M (see, e.g., [2]). This note extends a series of papers in which a measure generated by a Brownian motion on M on the space of trajectories (with values in M) can be represented as the weak limit of measures on the space of trajectories in the ambient space ?ⁿ (see [7–10]). Namely, we claim that a sequence of diffusion processes on ?n which are Brownian motions with drift (in the direction of the manifold) with infinitely increasing modulus converges in distribution to a Brownian motion on the manifold.     

LES-DSMC方法研究超细颗粒气固两相流动过程

采用考虑颗粒脉动流动对气相湍流流动影响的大涡模拟(LES)研究气相湍流,采用直接模拟蒙特卡罗方法(DSMC)模拟颗粒间的碰撞。单颗粒运动满足牛顿第二定律,颗粒相和气相相间作用的双向耦合由牛顿第三定律确定,考虑超细颗粒间的van der Waals作用力。数值模拟垂直管内超细颗粒气固两相流动,对颗粒相速度、浓度以及团聚物流动过程进行分析。     

振动纤维捕集颗粒的格子Boltzmann模拟

采用格子Boltzmann方法对振动纤维捕集颗粒进行数值研究.纤维附近采用多块网格加细技术计算,颗粒采用Lagrange跟踪方法模拟.研究雷诺数为200的流向振动纤维绕流的AⅡ、AⅢ、AIV、S四种涡结构下的亚微米煤粉颗粒的捕集问题.结果表明纤维的流向强迫振动能够显著提高颗粒的捕集效率.且迎风面的捕集效率提升不大,背风面的提升则更为显著.颗粒撞击角度的统计反映了背风面捕集效率提升的细节.另外流动处于AⅢ模态时,每个周期内脱落两个正涡一个负涡,被捕集颗粒的初始位置分布不对称.而其它模态基本关于流场中心对称.     

Effect of Brownian motion on flow and heat transfer of nanofluids over a backward-facing step with and without adiabatic square cylinder

A mathematical model to predict large enhancement of thermal conductivity of nanofluids by considering the Brownian motion is proposed. The effect of the Brownian motion on the flow and heat transfer characteristics is examined. The computations were done for various types of nanoparticles such as CuO, Al₂O₃, and ZnO dispersed in a base fluid (water), volume fraction of nanoparticles ? in the range of 1 % to 6 % at a fixed Reynolds number Re = 450 and nanoparticle diameter d_np = 30 nm. Our results demonstrate that Brownian motion could be an important factor that enhances the thermal conductivity of nanofluids. Nanofluid of Al₂O₃ is observed to have the highest Nusselt number Nu among other nanofluids types, while nanofluid of ZnO nanoparticles has the lowest Nu. Effects of the square cylinder on heat transfer characteristics are significant with considering Brownian motion. Enhancement in the maximum value of Nu of 29 % and 26 % are obtained at the lower and the upper walls of the channel, respectively, by considering the Brownian effects, with square cylinder, compared with that in the case without considering the Brownian motion. On the other hand, results show a marked improvement in heat transfer compared to the base fluid, this improvement is more pronounced on the upper wall for higher ?.     

Observation of quantum particles on a large space-time scale

A quantum particle observed on a sufficiently large space-time scale can be described by means of classical particle trajectories. The joint distribution for large-scale multiple-time position and momentum measurements on a nonrelativistic quantum particle moving freely inR ^v is given by straight-line trajectories with probabilities determined by the initial momentum-space wavefunction. For large-scale toroidal and rectangular regions the trajectories are geodesics. In a uniform gravitational field the trajectories are parabolas. A quantum counting process on free particles is also considered and shown to converge in the large-space-time limit to a classical counting process for particles with straight-line trajectories. If the quantum particle interacts weakly with its environment, the classical particle trajectories may undergo random jumps. In the random potential model considered here, the quantum particle evolves according to a reversible unitary one-parameter group describing elastic scattering off static randomly distributed impurities (a quantum Lorentz gas). In the large-space-time weak-coupling limit a classical stochastic process is obtained with probability one and describes a classical particle moving with constant speed in straight lines between random jumps in direction. The process depends only on the ensemble value of the covariance of the random field and not on the sample field. The probability density in phase space associated with the classical stochastic process satisfies the linear Boltzmann equation for the classical Lorentz gas, which, in the limith0, goes over to the linear Landau equation. Our study of the quantum Lorentz gas is based on a perturbative expansion and, as in other studies of this system, the series can be controlled only for small values of the rescaled time and for Gaussian random fields. The discussion of classical particle trajectories for nonrelativistic particles on a macroscopic spacetime scale applies also to relativistic particles. The problem of the spatial localization of a relativistic particle is avoided by observing the particle on a sufficiently large space-time scale.     

On Analysis of Spectro-Correlation Characteristics of One-Dimensional Brownian Motion

We propose an analytical–numerical approach to finding the correlation function of one-dimensional Brownian motion in a one-mode potential profile described by a low-order polynomial. The approach is based on solving chains of differential equations for the statistical moment functions of particle coordinate fluctuations, which are broken in a certain manner. Two methods of such breaking are considered. One method is based upon quasi-linear expansions of the moment functions, and another one, on cumulantless expansions. Spectro-correlation characteristics of Brownian motion in biquadratic potential profiles of two types are studied.     

Constrained Brownian Motion of a Single Ellipsoid in a Narrow Channel

We study the Brownian motion of a single ellipsoidal particle diffusing in a narrow channel by video-microscopy measurement. The experiments allow us to obtain the trajectories of ellipsoids and measure the diffusion coefficients. It is found that the channel constraints lead to suppression of the particle motion, especially the perpendicular motion to the channel, and the long axis of the particle tends to be parallel to the channel. A stable stratification phenomenon is observed, which is rarely discussed in studies of spherical particles. We also derive an approximate solution of theoretical prediction with the method of reflections, and obtain numerical simulation results using finite element software. They are proven to be effective by comparing them with the experimental results. All of these indicate that the aspect ratio and size of ellipsoid, the width of channel, and the transverse position distinctly affect the Brownian motion of ellipsoids.     

Lattice Boltzmann simulation of the dispersion of aggregated Brownian particles under shear flows

The deformation and breakup processes of a particle-cluster aggregate under shear flows are investigated by the two-phase lattice Boltzmann method. In the simulation the particle is modeled by a hard droplet with large viscosity and strong surface tension. The van der Waals attraction force is taken into account for the interaction between the particles. Also, the Brownian motion is considered for nano-particles. Two important dimensionless parameters are introduced in order to classify calculated results. One is the ratio of fluid force to the maximum inter-particle force, Y, and the other is the Péclet number which is the ratio of the rate of diffusion by a shear flow to the rate of diffusion by Brownian motion. It is found that Y is the key factor in dispersion and that the Brownian motion retards the dispersion.     

Computer Simulation of Irreversible Expansions via Molecular Dynamics, Smooth Particle Applied Mechanics, Eulerian, and Lagrangian Continuum Mechanics

We simulate the far-from-equilibrium irreversible expansion of a compressed ideal gas in two space dimensions. For this problem the particle trajectories from conventional smooth particle applied mechanics are isomorphic to those from a corresponding molecular dynamics simulation. The smooth-particle weight function used to describe the expanding gas is identical to the pair potential governing the molecular dynamics simulation. These many-body particle simulations are compared with those using a modified smooth-particle algorithm invented by Monaghan, as well as with those based on conventional grid-based Eulerian and Lagrangian methods.     

Note on the fractal dimension of hard sphere trajectories

Using Monte Carlo molecular dynamics, a new, careful study is made of the approach of the trajectory of a typical particle in a hard sphere fluid to that of a Brownian particle, discussed before by Powles and Quirke and Rapaport. The apparent fractal dimension of the trajectory, as a function of reduced length scale,(), characterizes the transition from mechanical to Brownian motion and differs markedly from 2 in all present computer simulations.     

Brownian motion at short time scales

Brownian motion has played important roles in many different fields of science since its origin was first explained by Albert Einstein in 1905. Einstein's theory of Brownian motion, however, is only applicable at long time scales. At short time scales, Brownian motion of a suspended particle is not completely random, due to the inertia of the particle and the surrounding fluid. Moreover, the thermal force exerted on a particle suspended in a liquid is not a white noise, but is colored. Recent experimental developments in optical trapping and detection have made this new regime of Brownian motion accessible. This review summarizes related theories and recent experiments on Brownian motion at short time scales, with a focus on the measurement of the instantaneous velocity of a Brownian particle in a gas and the observation of the transition from ballistic to diffusive Brownian motion in a liquid.     

Anisotropic transport of microalgae Chlorella vulgaris in microfluidic channel

In this work, we study the regional dependence of transport behavior of microalgae Chlorella vulgaris inside microfluidic channel on applied fluid flow rate. The microalgae are treated as spherical naturally buoyant particles. Deviation from the normal diffusion or Brownian transport is characterized based on the scaling behavior of the mean square displacement(MSD) of the particle trajectories by resolving the displacements in the streamwise(flow) and perpendicular directions.The channel is divided into three different flow regions, namely center region of the channel and two near-wall boundaries and the particle motions are analyzed at different flow rates. We use the scaled Brownian motion to model the transitional characteristics in the scaling behavior of the MSDs. We find that there exist anisotropic anomalous transports in all the three flow regions with mixed sub-diffusive, normal and super-diffusive behavior in both longitudinal and transverse directions.     

Spherical particle Brownian motion in viscous medium as non-Markovian random process

The Brownian motion of a spherical particle in an infinite medium is described by the conventional methods and integral transforms considering the entrainment of surrounding particles of the medium by the Brownian particle. It is demonstrated that fluctuations of the Brownian particle velocity represent a non-Markovian random process. The features of Brownian motion in short time intervals and in small displacements are considered.     

Classical mechanics on noncommutative space with Lie-algebraic structure

We investigate the kinetics of a nonrelativistic particle interacting with a constant external force on a Lie-algebraic noncommutative space. The structure constants of a Lie algebra, also called noncommutative parameters, are constrained in general due to some algebraic properties, such as the antisymmetry and Jacobi identity. Through solving the constraint equations the structure constants satisfy, we obtain two new sorts of algebraic structures, each of which corresponds to one type of noncommutative spaces. Based on such types of noncommutative spaces as the starting point, we analyze the classical motion of the particle interacting with a constant external force by means of the Hamiltonian formalism on a Poisson manifold. Our results not only include that of a recent work as our special cases, but also provide new trajectories of motion governed mainly by marvelous extra forces. The extra forces with the unimaginable -, and -dependence besides with the usual t-, x-, and -dependence, originating from a variety of noncommutativity between different spatial coordinates and between spatial coordinates and momenta as well, deform greatly the particle’s ordinary trajectories we are quite familiar with on the Euclidean (commutative) space.     

Prediction of Spherule Size in Gas Phase Nanoparticle Synthesis

Surprisingly, there is still no rational yet practical method to reliably predict absolute primary nanospherule sizes and, hence, specific surface areas, in gas phase flame nanoparticle synthesis. The present paper summarizes our approach to this important problem, using a plausible and tractable coagulation–coalescence (two-rate process) model, but with an important modification to the rate of nanoparticle coalescence. The Smoluchowski equation is used to describe the particle Brownian coagulation rate process (free-molecule regime), together with the assumption that the particle population follows a self-preserving size distribution. The decisive coalescence process, driven by the minimization of surface energy of the coalescing nanoparticles, is presumed to occur via the mechanism of surface diffusion. However, a curvature-dependent energy barrier for surface-diffusion is proposed, taking into account the extended surface-melting behavior of nanoparticles. This is shown here to have the effect of accelerating the coalescence rate of touching nanoparticles, leading to absolute sizes (at the predicted onset of aggregate formation) in encouraging agreement with available experiments. It was found that the coalescence rate, especially with a curvature-augmented surface diffusivity, is far more sensitive to particle size than is the Brownian coagulation rate. As a result, when cast in terms of characteristic process times, a distinct crossover generally exists, allowing the determination of observed primary spherule sizes within larger aggregates. This approach is successfully applied here to several published synthesis examples of vapor-derived nanosized alumina and titania. Its broader implications for nanoparticle synthesis in non-isothermal reactors, including our own counterflow diffusion flame reactor, are also briefly summarized.     

Diffusion on random lattices

We study the motion of a point particle along the bonds of a two-dimensional random lattice, whose sites are randomly occupied with right and left rotators, which scatter the particle according to deterministic scattering rules. We consider both a Poisson (PRL) and a vectorized random lattice (VRL) and fixed as well as flipping scatterers. On both lattices, for fixed scatterers and equal concentrations of right and left rotators the same anomalous diffusion of the particle is obtained as before for the triangular lattice, where the mean square displacement is t, the diffusion process non-Gaussian, and the particle trajectories exhibit scaling behavior as at a percolation threshold. For unequal concentrations the particle is trapped exponentially rapidly. This system can be considered as an extreme case of the Lorentz lattice gases on regular lattices discussed before or as an example of the motion of a particle along cracks or (grain or cellular) boundaries on a two-dimensional surface.