The robustness in dynamics of out of equilibrium bidirectional transport systems with constrained entrances

Macroscopic and microscopic long-distance bidirectional transfer depends on connections between entrances and exits of various transport mediums. Persuaded by the associations, we introduce a small system module of Totally Asymmetric Simple Exclusion Process including oppositely directed species of particles moving on two parallel channels with constrained entrances. The dynamical rules which characterize the system obey symmetry between the two species and are identical for both the channels. The model displays a rich steady-state behavior, including symmetry breaking phenomenon. The phase diagram is analyzed theoretically within the mean-field approximation and substantiated with Monte Carlo simulations. Relevant mean-field calculations are also presented. We further compared the phase segregation with those observed in previous works, and it is examined that the structure of phase separation in proposed model is distinguished from earlier ones. Interestingly, for phases with broken symmetry, symmetry with respect to channels has been observed as the distinct particles behave differently while the similar type of particles exhibits the same conduct in the system. For symmetric phases, significant properties including currents and densities in the channels are identical for both types of particles. The effect of symmetry breaking occurrence on the Monte Carlo simulation results has also been examined based on particle density histograms. Finally, phase properties of the system having strong size dependency have been explored based on simulations findings.     

Spontaneous symmetry breaking in asymmetric exclusion process with constrained boundaries and site sharing: A Monte Carlo study

This paper investigates the two species totally asymmetric simple exclusion process (TASEP) with constrained boundaries and site sharing in a one-lane system. The model is reminiscent of pedestrian traffic crossing a narrow pathway in both directions. In boundaries, particles can enter the system only if the corresponding sites are empty. The new aspect of this study compared to previous two species TASEP models is that the oppositely moving particles do not exchange their positions each other but by sharing the same site. Monte Carlo simulations have shown that the spontaneous symmetry breaking is observed in high-low-density phase and asymmetric low-low-density phase. The flipping processes are also observed in both phases. The maximal current phase appears for sufficiently large sharing probability. Histograms of two species of particles and average currents are computed. The results are also compared with the Bridge model [Evans et al., Phys. Rev. Lett. 74 (1995) 208] which means that two species of particles can exchange their positions with a certain probability when they meet together. It is shown that our model exhibits higher current than that in the Bridge model.     

Effect of Detachments in Asymmetric Simple Exclusion Processes

Asymmetric simple exclusion processes are important for understanding low-dimensional multi-particle dynamic phenomena. The effect of irreversible detachments of particles on dynamics of asymmetric simple exclusion processes is studied using analytical and computer simulation techniques. In the simplest model, where particles can only detach from a single site in the bulk of the system, a theory is presented and used to calculate explicitly phase diagrams and particle density profiles. The complexity of the phase behavior is discussed in terms of a recent domain-wall theory for driven lattice systems. The theoretical results qualitatively and quantitatively agree with computer Monte Carlo simulations.     

考虑电离作用的淤泥异向絮凝三维数值模拟

鉴于试验观察淤泥絮凝结构的技术难度,本文尝试以布朗动力学为基础,采用蒙特卡洛方法动态模拟电离作用下颗粒成长为絮团的过程.为结合实际情况,泥沙颗粒初始位置由颗粒粒径和淤泥密度决定,颗粒初始速度按照相应条件下高斯随机分布给定.边界条件用和实际符合较好的循环边界.在模拟数据分析的基础上,讨论并比较了颗粒粒径和淤泥密度对絮凝时间以及絮团开放程度的影响.另一方面,讨论了电离作用后颗粒电荷量对絮团生长的影响.解释了泥沙颗粒表面电荷密度变化对絮凝过程和絮团结构的影响,模拟结果和实际情况较为一致.     

Effective Dynamics for a Kinetic Monte–Carlo Model with Slow and Fast Time Scales

We consider several multiscale-in-time kinetic Monte Carlo models, in which some variables evolve on a fast time scale, while the others evolve on a slow time scale. In the first two models we consider, a particle evolves in a one-dimensional potential energy landscape which has some small and some large barriers, the latter dividing the state space into metastable regions. In the limit of infinitely large barriers, we identify the effective dynamics between these macro-states, and prove the convergence of the process towards a kinetic Monte Carlo model. We next consider a third model, which consists of a system of two particles. The state of each particle evolves on a fast time-scale while conserving their respective energy. In addition, the particles can exchange energy on a slow time scale. Considering the energy of the first particle, we identify its effective dynamics in the limit of asymptotically small ratio between the characteristic times of the fast and the slow dynamics. For all models, our results are illustrated by representative numerical simulations.     

Application of the dissipative particle dynamics method to magnetic colloidal dispersions

The validity of the application of the dissipative particle dynamics (DPD) method to ferromagnetic colloidal dispersions has been investigated by conducting DPD simulations for a two–dimensional system. First, the interaction between dissipative and magnetic particles has been idealized as some model potentials, and DPD simulations have been carried out using such model potentials for a two magnetic particle system. In these simulations, attention has been focused on the collision time for the two particles approaching each other and touching from an initially separated position, and such collision time has been evaluated for various cases of mass and diameter of dissipative particles and model parameters, which are included in defining the equation of motion of dissipative particles. Next, a multi–particle system of magnetic particles has been treated, and particle aggregates have been evaluated, together with the pair correlation function along an applied magnetic field direction. Such characteristics of aggregate structures have been compared with the results of Monte Carlo and Brownian dynamics simulations in order to clarify the validity of the application of the DPD method to particle dispersion systems. The present simulation results have clearly shown that DPD simulations with the model interaction potential presented here give rise to physically reasonable aggregate structures under circumstances of strong magnetic particle–particle interactions as well as a strong external magnetic field, since these aggregate structures are in good agreement with those of Monte Carlo and Brownian dynamics simulations.     

Monte Carlo study of one-dimensional confined fluids with Gay-Berne intermolecular potential

The thermodynamic quantities of a one dimensional system of particles with Gay-Berne model potential confined between walls have been obtained by means of Monte Carlo computer simulations. For a number of temperatures, the systems were considered and their density profiles, order parameter, pressure, configurational temperature and average potential energy per particle are reported. The results show that by decreasing the temperature, the soft particles become more ordered and they align to the walls and also they don’t show any tendency to be near the walls at very low temperatures. We have also changed the structure of the walls by embedding soft ellipses in them, this change increases the total density near the wall whereas, increasing or decreasing the order parameter depend on the angle of embedded ellipses.     

Power spectra of the total occupancy in the totally asymmetric simple exclusion process

As a solvable and broadly applicable model system, the totally asymmetric exclusion process enjoys iconic status in the theory of nonequilibrium phase transitions. Here, we focus on the time dependence of the total number of particles on a 1-dimensional open lattice and its power spectrum. Using both Monte Carlo simulations and analytic methods, we explore its behavior in different characteristic regimes. In the maximal current phase and on the coexistence line (between high and low density phases), the power spectrum displays algebraic decay, with exponents -1.62 and -2.00, respectively. Deep within the high and low density phases, we find pronounced oscillations, which damp into power laws. This behavior can be understood in terms of driven biased diffusion with conserved noise in the bulk.     

Evaluation of liquid-vapour density profiles of associating fluids: A density-functional approach

The structure of liquid-gas interface of associating Lennard-Jones particles is studied using the density-functional theory and the Monte Carlo simulation. The model with one bonding site per particle is considered. It is shown that the considered version of the density functional is quite successful in predicting the gas-liquid density profile.     

The path length distribution function in a heterogeneous medium

The transport of fast particles in a heterogeneous substrate is studied using the path length approximation. With the power law scattering model, exact solutions are obtained for the energy deposition rate and the implanted ion density in two contiguous, but dissimilar, plane layers. A discontinuity in the particle density at the interface is observed which is consistent with the Monte Carlo results of Furukawa and Ishiwara and with some recent work of Winterbon. The method shows promise of predicting implanted ion distributions with some confidence.     

Activated Random Walkers: Facts, Conjectures and Challenges

We study a particle system with hopping (random walk) dynamics on the integer lattice ? ^d . The particles can exist in two states, active or inactive (sleeping); only the former can hop. The dynamics conserves the number of particles; there is no limit on the number of particles at a given site. Isolated active particles fall asleep at rate λ>0, and then remain asleep until joined by another particle at the same site. The state in which all particles are inactive is absorbing. Whether activity continues at long times depends on the relation between the particle density ζ and the sleeping rate λ. We discuss the general case, and then, for the one-dimensional totally asymmetric case, study the phase transition between an active phase (for sufficiently large particle densities and/or small λ) and an absorbing one. We also present arguments regarding the asymptotic mean hopping velocity in the active phase, the rate of fixation in the absorbing phase, and survival of the infinite system at criticality. Using mean-field theory and Monte Carlo simulation, we locate the phase boundary. The phase transition appears to be continuous in both the symmetric and asymmetric versions of the process, but the critical behavior is very different. The former case is characterized by simple integer or rational values for critical exponents (β=1, for example), and the phase diagram is in accord with the prediction of mean-field theory. We present evidence that the symmetric version belongs to the universality class of conserved stochastic sandpiles, also known as conserved directed percolation. Simulations also reveal an interesting transient phenomenon of damped oscillations in the activity density.     

Defect-induced transitions in synchronous asymmetric exclusion processes

The effects of a single local defect in synchronous asymmetric exclusion processes are investigated via theoretical analysis and Monte Carlo simulations. Our theoretical analysis shows that there are four possible stationary phases, i.e., the (low density, low density), (low density, high density), (high density, low density) and (high density, high density) in the system. In the (high density, low density) phase, the system can reach a maximal current which is determined by the local defect, but independent of boundary conditions. A phenomenological domain wall approach is developed to predict dynamic behavior at phase boundaries. The effects of defective hopping probability p on density profiles and currents are investigated. Our investigation shows that the value of p determines phase transitions when entrance rate α and exit rate β are fixed. Density profiles and currents obtained from theoretical calculations are in agreement with Monte Carlo simulations.     

Phase coexistence in driven one-dimensional transport

We study a one-dimensional totally asymmetric exclusion process with random particle attachments and detachments in the bulk. The resulting dynamics leads to unexpected stationary regimes for large but finite systems. Such regimes are characterized by a phase coexistence of low and high density regions separated by domain walls. We use a mean-field approach to interpret the numerical results obtained by Monte Carlo simulations, and we predict the phase diagram of this nonconserved dynamics in the thermodynamic limit.     

Finite-size effects for phase segregation in a two-dimensional asymmetric exclusion model with two species

We investigate the stationary states of a two-dimensional lattice gas model with exclusion, in the presence of an external field. The lattice is populated by equal numbers of positively and negatively charged particles. An analytical mean-field approach and Monte Carlo simulations give strong evidence of the fact that at any finite density the only relevant stationary state of the system in the thermodynamic limit is inhomogeneous, consisting of a strip of particles transverse to the field. In the inhomogeneous phase, the density profiles and the current measured by Monte Carlo simulations are closely related to those found in mean field. The same is true for the finite-size behavior of the system.     

轰击阴极的重粒子能量分布

采用蒙特卡罗模拟对氮辉光放电等离子体中轰击极阴的重粒子（N2^ ,N^ ,Nf及N2f）能量分布随放电参数的变化规律进行了研究。结果表明：阴极臂前诸粒子的能量分布取决于粒子被加速的能量和碰撞频率,能量较低的快原子Nf的密度比高能粒子N^ 的密度最近两个量级。在活性氮粒子（N^ ,Nf）产率最高的放电条件下,适当降低放电气压,提高阴极位降和气体温度,有利于两种活性氮粒子（N^ ,Nf）达到阴极。     

Effects of Continuous Size Distributions on Pressures of Granular Gases

Direct Monte Carlo simulations are employed to investigate the granular pressures in granular materials with a power-law particle size distribution. Specifically, smooth circular discs of uniform material density are engaged in a two-dimensional rectangular box, colliding inelastically with each other and driven by a homogeneous heat bath at zero gravity. The resulting pressures are found to decrease as the widths of particle size distribution are increased. Moreover, the granular pressures in power-law systems are found to be unequally distributed among the various sizes of particles, with large particles possessing more pressure than their smaller counterparts. The width-dependent nature of the total pressures is induced by the more dispersion of smaller particles in the system as the particle size distribution is widened.     

Computer simulation of the collision frequency of two particles in optical tweezers

Optical tweezers have been successfully used in the study of colloid science. In most applications people are concerned with the behaviour of a single particle held in the optical tweezers. Recently, the ability of the optical tweezers to simultaneously hold two particles has been used to determine the stability ratio of colloidal dispersion. This new development stimulates the efforts to explore the characteristics of a two-particle system in the optical tweezers.An infinite spherical potential well has been used to estimate the collision frequency for two particles in the optical trap based on a Monte Carlo simulation. In this article, a more reasonable harmonic potential, commonly accepted for the optical tweezers, is adopted in a Monte Carlo simulation of the collision frequency. The effect of hydrodynamic interaction of particles in the trap is also considered. The simulation results based on this improved model show quantitatively that the collision frequency drops down sharply at first and then decreases slowly as the distance between the two particles increases. The simulation also shows how the collision frequency is related to the stiffness of the optical tweezers.     

Charged particles on a two-dimensional lattice subject to anisotropic Jahn-Teller interactions

The properties of a system of charged particles on a 2D lattice, subject to an anisotropic Jahn-Teller-type interaction and 3D Coulomb repulsion, are investigated. In the mean-field approximation without Coulomb interaction, the system displays a phase transition of first order. When the long-range Coulomb interaction is included, Monte Carlo simulations show that the system displays very diverse mesoscopic textures, ranging from spatially disordered pairs to ordered arrays of stripes, or charged clusters, depending only on the ratio of the two interactions (and the particle density). Remarkably, charged objects with an even number of particles are more stable than with an odd number of particles. We suggest that the diverse functional behavior-including superconductivity-observed in oxides can be thought to arise from the self-organization of this type.     

Asymmetric exclusion model with two species: Spontaneous symmetry breaking

A simple two-species asymmetric exclusion model is introduced. It consists of two types of oppositely charged particles driven by an electric field and hopping on an open chain. The phase diagram of the model is calculated in the meanfield approximation and by Monte Carlo simulations. Exact solutions are given for special values of the parameters defining its dynamics. The model is found to exhibit two phases in which spontaneous symmetry breaking takes place, where the two currents of the two species are not equal.     

Totally asymmetric exclusion processes at constrained m-input n-output junction points

Totally asymmetric exclusion processes at constrained m-input n-output junction points under random update are studied by theoretical calculation and computer simulation in this paper. At the junction points, the hopping rate of particles from m-input parallel lattices to n-output parallel lattices is assumed to be equal to r/n （0 〈 r 〈 1 ）. The mean-field approach and Monte Carlo simulations show that the phase diagram can be classified into three regions at any value of r. More interestingly, there is a threshold rc = n（ 1 - √1 - m/n）/m. In the cases of r 〉 re and r 〈 rc, qualitatively different phases exist in the system. With the increase of the value of m/n, the regions of （LD, LD） and （MC, LD） or （HD, LD） decrease, and the （HD, HD） is the only phase that increases in the region （LD stands for low density, HD stands for high density, and MC for maximal current）. Stationary current and density profiles are calculated, showing that they are in good agreement with Monte Carlo simulations.