Lattice Boltzmann method for three-dimensional moving particles in a Newtonian fluid

A lattice Boltzmann method is developed to simulate three-dimensional solid particle motions in fluids. In the present model, a uniform grid is used and the exact spatial location of the physical boundary of the suspended particles is determined using an interpolation scheme. The numerical accuracy and efficiency of the proposed lattice Boltzmann method is demonstrated by simulating the sedimentation of a single sphere in a square cylinder. Highly accurate simulation results can be achieved with few meshes, compared with the previous lattice Boltzmann methods. The present method is expected to find applications on the flow systems with moving boundaries, such as the blood flow in distensible vessels, the particle－flow interaction and the solidification of alloys.     

Identifying the temperature distribution in a parabolice quation with overspecified data using a multiquadric quasi-interpolation method

In this paper, we use a kind of univariate multiquadric quasi-interpolation to solve a parabolic equation with overspecified data, which has arisen in many physical phenomena. We obtain the numerical scheme by using the derivative of the quasi-interpolation to approximate the spatial derivative of the dependent variable and a simple forward difference to approximate the temporal derivative of the dependent variable. The advantage of the presented scheme is that the algorithm is very simple so it is very easy to implement. The results of the numerical experiment are presented and are compared with the exact solution to confirm the good accuracy of the presented scheme.     

Diffusion and collective motion of rotlets in 2D space

We investigate the collective motion of rotlets that are placed in a single plane. Due to the hydrodynamic interactions,the particles move through the two-dimensional(2D) plane and we analyze these diffusive motions. By analyzing the scaling of the values, we predict that the diffusion coefficient scales with φ~(0.5), the average velocity with φ, and relaxation time of the velocity autocorrelation function with φ~(-1.5), where φ is the area fraction of the particles. In this paper, we find that the predicted scaling could be seen only when the initial particle position is homogeneous. The particle collective motions are different by starting the simulation from random initial positions, and the diffusion coefficient is the largest at a minimum volume fraction of our parameter range, φ = ~(0.05). The deviations based on two initial positions can be explained by the frequency of the collision events. The particles collide during their movements and the inter-particle distances gradually increase. When the area fraction is large, the particles will result in relatively homogeneous configurations regardless of the initial positions because of many collision events. When the area fraction is small(φ 0.25), on the other hand, two initial positions would fall into different local solutions because the rare collision events would not modify the inter-particle distances drastically. By starting from the homogeneous initial positions, the particles show the maximum diffusion coefficient at φ≈ 0.20. The diffusion coefficient starts to decrease from this area fraction because the particles start to collide and hinder each other from a critical fraction ～23%. We believe our current work contributes to a basic understanding of the collective motion of rotating units.     

Revisiting the breakdown of Stokes-Einstein relation in glass-forming liquids with machine learning

The Stokes-Einstein(SE) relation has been considered as one of the hallmarks of dynamics in liquids. It describes that the diffusion constant D is proportional to(τ/T)~(–1), where τ is the structural relaxation time and T is the temperature. In many glassforming liquids, the breakdown of SE relation often occurred when the dynamics of the liquids becomes glassy, and its origin is still debated among many scientists. Using molecular dynamics simulations and support-vector machine method, it is found that the scaling between diffusion and relaxation fails when the total population of solid-like clusters shrinks at the maximal rate with decreasing temperature, which implies a dramatic unification of clusters into an extensive dominant one occurs at the time of breakdown of the SE relation. Our data leads to an interpretation that the SE violation in metallic glass-forming liquids can be attributed to a specific change in the atomic structures.     

Kinetic Phase Transition in A2 ＋ B2 → 2AB Reaction System with Particle Diffusion

A lattice gas model for the A2 ＋ B2→2AB reaction system was studied by Monte Carlo simulation in a two- dimensional triangular lattice surface [Phys. Rev. E 69 （2004）046114]. In the model, a reactive window appears and the system exhibits a continuous phase transition to an ＇A＋vaoancy＇ covered state with infinitely many absorbing states. The critical behaviour was shown to belong to the robust directed percolation （DP） universality class. In this study, we find that as the particle A diffusion is considered, the infinitely many absorbing states for the continuous phase transition change into only two： one is that in which all sites are occupied by particle A and the other is that in which there is only one vacant site and other sites are occupied by particle A. Fhrthermore, a parity conserving character appears in the system when the particle A diffusion is included. It is found that the critical behaviour of the continuous phase transition changes from the DP class into the pair contact process with diffusion model （PCPD） class and the parity conserving character has no influence on the critical behaviour in the model.     

Effect of Rolling Massage on Particle Moving Behaviour in Blood Vessels

The rolling massage manipulation is a classic Chinese massage, which is expected to eliminate many diseases. Here the effect of the rolling massage on the particle moving property in the blood vessels under the rolling massage manipulation is studied by the lattice Boltzmann simulation. The simulation results show that the particle moving behaviour depends on the rolling velocity, the distance between particle position and rolling position. The average values, including particle translational velocity and angular velocity, increase as the rolling velocity increases almost linearly. The result is helpful to understand the mechanism of the massage and develop the rolling techniques.     

Computational analysis of the roles of biochemical reactions in anomalous diffusion dynamics

Most biochemical processes in cells are usually modeled by reaction–diffusion(RD) equations. In these RD models,the diffusive process is assumed to be Gaussian. However, a growing number of studies have noted that intracellular diffusion is anomalous at some or all times, which may result from a crowded environment and chemical kinetics. This work aims to computationally study the effects of chemical reactions on the diffusive dynamics of RD systems by using both stochastic and deterministic algorithms. Numerical method to estimate the mean-square displacement(MSD) from a deterministic algorithm is also investigated. Our computational results show that anomalous diffusion can be solely due to chemical reactions. The chemical reactions alone can cause anomalous sub-diffusion in the RD system at some or all times.The time-dependent anomalous diffusion exponent is found to depend on many parameters, including chemical reaction rates, reaction orders, and chemical concentrations.     

Subthreshold behavior of AlInSb/InSb high electron mobility transistors

We propose a scaling theory for single gate Al In Sb/In Sb high electron mobility transistors(HEMTs) by solving the two-dimensional(2D) Poisson equation. In our model, the effective conductive path effect(ECPE) is taken into account to overcome the problems arising from the device scaling. The potential in the effective conducting path is developed and a simple scaling equation is derived. This equation is solved to obtain the minimum channel potential Φdeff,minand the new scaling factor α to model the subthreshold behavior of the HEMTs. The developed model minimizes the leakage current and improves the subthreshold swing degradation of the HEMTs. The results of the analytical model are verified by numerical simulation with a Sentaurus TCAD device simulator.     

Harmonic Noise-Induced Resonant Passing in an Inverse Harmonic Potential

The dynanfics of a particle passing over the sad- dle point plays a crucial role in many branches of physics and chemistry.Previous studies on the saddle-point passing problem mostly considered par- ticles that are subjected to a random force. Noise- induced transport has been studied in many fields including mathematics, physics, chemistry, biology, and economics. A classic example is the fusion reaction of massive nuclei, in which the fusion is in- duced by diffusion. In previous works, the fusion probability was obtained by determining the passing probability of a Brownian particle over the top of an inverse harmonic potential. Great progress has been achieved by regarding the study of passing prob- lems since tile pioneering work published by Kramers. The simplest situation assumes a Brownian particle driven by white noise, which however is not satisfied due to the multiple spectral density of the realistic ran- dora force. One of the realistic models of random force is the Gaussian colored noise, which requires the study of the motion of a particle driven by structured noise, such as harmonic noise which can be generated by the coordinate of a harmonic oscillator driven by white noise. This type of colored noise allows the consideration of resonance phenomena due to the fact that a peak in its spectrum is presented here.     

Kinetic Phase Transition in A2 ＋ 2B2 → 2B2A Reaction System with Particle Diffusion

A lattice gas model is presented for the A2 ＋2B2 → 2B2A reaction system with particle diffusion in two dimensions. In the model, B2 dissociates in the random dimer-filling mechanism and A2 dissociates in the end-on dimer filling mechanism. A reactive window appears and the system exhibits a continuous phase transition from a reactive state to a ＂B ＋ vacancy＂ covered state with infinitely many absorbing states. When the diffusion of particle B is considered, there are only two absorbing states. It is found that the critical behavior of the continuous phase transition changes from the directed percolation （DP） class to the pair contact process with diffusion （PCPD） class.     

Fokker–Planck Equations as Scaling Limits of Reversible Quantum Systems

We consider a quantum particle moving in a harmonic exterior potential and linearly coupled to a heat bath of quantum oscillators. Caldeira and Leggett derived the Fokker–Planck equation with friction for the Wigner distribution of the particle in the large-temperature limit; however, their (nonrigorous) derivation was not free of criticism, especially since the limiting equation is not of Lindblad form. In this paper we recover the correct form of their result in a rigorous way. We also point out that the source of the diffusion is physically restrictive under this scaling. We investigate the model at a fixed temperature and in the large-time limit, where the origin of the diffusion is a cumulative effect of many resonant collisions. We obtain a heat equation with a friction term for the radial process in phase space and we prove the Einstein relation in this case.     

Scaling and localization lengths of a topologically disordered system

We consider a noninteracting disordered system designed to model particle diffusion, relaxation in glasses, and impurity bands of semiconductors. Disorder originates in the random spatial distribution of sites. We find strong numerical evidence that this model displays the same universal behavior as the standard Anderson model. We use finite-size scaling to find the localization length as a function of energy and density, including localized states away from the delocalization transition. Results at many energies all fit onto the same universal scaling curve.     

Saddle points and rare collisions under scaling approach in a Fermi accelerator with two nonlinear terms

Rare collisions of a classical particle bouncing between two walls are studied. The dynamics is described by a two-dimensional, nonlinear and area-preserving mapping in the variables velocity and time at the instant that the particle collides with the moving wall. The phase space is of mixed type preventing diffusion of the particle to high energy. Successive and therefore rare collisions are shown to have a histogram of frequency which is scaling invariant with respect to the control parameters. The saddle fixed points are studied and shown to be scaling invariant with respect to the control parameters too.     

The localization transition of the two-dimensional Lorentz model

We investigate the dynamics of a single tracer particle performing Brownian motion in a two-dimensional course of randomly distributed hard obstacles. At a certain critical obstacle density, the motion of the tracer becomes anomalous over many decades in time, which is rationalized in terms of an underlying percolation transition of the void space. In the vicinity of this critical density the dynamics follows the anomalous one up to a crossover time scale where the motion becomes either diffusive or localized. We analyze the scaling behavior of the time-dependent diffusion coefficient D(t) including corrections to scaling. Away from the critical density, D(t) exhibits universal hydrodynamic long-time tails both in the diffusive as well as in the localized phase.     

Diffusion modeling of the Rayleigh piston

A Markov jump process in which a massive labeled particle undergoes random elastic collisions with a thermal bath is investigated. It is found that the behavior of the labeled particle can be divided into three distinct regimes depending on whether its velocity is (1) much less than, (2) on the order of, or (3) much greater than the mean speed of a bath particle. In each regime the jump process can be approximated by a particular continuous-path diffusion process. The first case corresponds to the Ornstein-Uhlenbeck process, while each of the latter can be modeled by a deterministic process with a nonlinear Langevin equation. In addition, in cases (2) and (3), the scaled deviation from the mean velocity can be modeled by a nonstationary diffusion. By scaling the time and letting the mass of the labeled particle become large, a continuous-path diffusion is constructed which approximates the jump process in each regime. Analytic solutions for the transition probability density are provided in each case, and numerical comparisons are made between the mean and variance of the diffusions and the original jump process.     

The scaling of higher cumulants in a diffusion problem

The scaling properties of higher cumulants for a diffusion problem are examined by means of numerical calculations. The exponent for the higher cumulants are found to be less than that of the first cumulant but larger than that of the second one. The calculations can be used for describing quantum particle diffusion in a random time-dependent potential, domain wall diffusion in a 2D magnet, etc.     

Diffusion in stochastic sandpiles

We study diffusion of particles in large-scale simulations of one-dimensional stochastic sandpiles, in both the restricted and unrestricted versions. The results indicate that the diffusion constant scales in the same manner as the activity density, so that it represents an alternative definition of an order parameter. The critical behavior of the unrestricted sandpile is very similar to that of its restricted counterpart, including the fact that a data collapse of the order parameter as a function of the particle density is possible, but with a narrow scaling region. We also develop a series expansion, in inverse powers of the density, for the collective diffusion coefficient in a variant of the stochastic sandpile in which the toppling rate at a site with n particles is n(n-1), and compare the theoretical prediction with simulation results.     

Perturbative approach to anA+B→C reaction-diffusion system

The hierarchy of kinetic equations for diffusion-reaction processes are rederived using a Fock space formalism for the Master equation. In the diffusion dominated case the reactive part can be analyzed perturbationally. In according to the experimental situation the behaviour of the system is governed by one space dimension. The summation of a whole class of terms in a perturbative serie yields the scaling behaviour of the production rate of the C particle. The solution depends on the ratio of the diffusion constantsD=D _A /D _B and the ratio of the characteristic time scales for reaction and diffusion, respectively. Various special cases and approximations are discussed in terms ofD. The analytical results can be supported by numerical simulations.     

Diffusion in disordered media

Diffusion in disordered systems does not follow the classical laws which describe transport in ordered crystalline media, and this leads to many anomalous physical properties. Since the application of percolation theory, the main advances in the understanding of these processes have come from fractal theory. Scaling theories and numerical simulations are important tools to describe diffusion processes (random walks: the 'ant in the labyrinth') on percolation systems and fractals. Different types of disordered systems exhibiting anomalous diffusion are presented (the incipient infinite percolation cluster, diffusion-limited aggregation clusters, lattice animals, and random combs), and scaling theories as well as numerical simulations of greater sophistication are described. Also, diffusion in the presence of singular distributions of transition rates is discussed and related to anomalous diffusion on disordered structures.     

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.