A study on the distribution of adsorbed nanoparticles

We use Monte Carlo simulation to calculate the distributions of particles under adsorption force near planar and cylindrical surfaces,respectively.Both hard sphere interaction and repulsive Yukawa (screened coulomb) interaction are employed in our simulations.We study the influence of the inter-particle potentials.The difference between the MC simulation results and the analytical results of ideal gas model shows that the interaction between particles plays an important role in the density distribution under external fields.Moreover,the 2-dimensional constructions of particles close to the surface are studied and show relations of the interaction between particles.These results may indicate us how to improve the methods of building nanoparticle coatings and nano-scale patterns.     

Verifying the reciprocity of interparticle interaction forces in strongly coupled systems

We propose a simple criterion for revealing the breaking of pair interaction symmetry in strongly coupled dissipative systems. The criterion is based on the analysis of correlations between the velocities of strongly interacting particles, which can be measured relatively easily in experiments with macroparticles in various media. We derive analytic relations that make it possible to calculate the derivatives of the interaction force between a pair of particles from the data on the correlations of their velocities and coordinates. The proposed criterion and relations are verified using the results of numerical simulation of the dynamics of dust particles in a plasma.     

Brownian dynamics simulations of a cubic haematite particle suspension with a more effective treatment of steric layer interactions

We have proposed a new repulsive layer model for describing the interaction between steric layers of coated cubic particles. This approach is an effective technique applicable to particle-based simulations such as a Brownian dynamics simulation of a suspension composed of cubic particles. 3D Brownian dynamics simulations employing this repulsive interaction model have been performed in order to investigate the equilibrium aggregate structures of a suspension composed of cubic haematite particles. It has been verified that Brownian dynamics employing the present steric interaction model are in good agreement with Monte Carlo results with respect to particle aggregate structures and particle orientational characteristics. From the viewpoint of developing a surface modification technology, we have also investigated a regime change in the aggregate structure of cubic particle in a quasi-2D system by means of Brownian dynamics simulations. If the magnetic particle–particle interaction strength is relatively strong, in zero applied magnetic field the particles aggregate in an offset face-to-face configuration. As the magnetic field strength is increased, the offset face-to-face structure is transformed into a more direct face-to-face contact configuration that extends throughout the whole simulation region.     

全尺度方法对颗粒与流体之间相交换量研究

本文采用了内嵌边界多重直接力算法全尺度计算研究了三维空间中颗粒群在重力作用下沉降时,颗粒群与流体之间的相互作用过程。结合多相流的欧拉-欧拉双流体模型方法中对颗粒群与流体之间相互作用力的处理方式,分析了颗粒与流体之间的相交换量。并把全尺度计算得到的颗粒群与流体之间的相交换量与本文中提到的单颗粒受力模型(SPM)和颗粒群受力模型(GPM)对相互作用力进行了比较分析。     

活性Janus粒子体系中的定向运动涌现行为

本文使用过阻尼郎之万方程动力学模拟方法模拟了二维体系中活性Janus粒子的群体动力学行为. 体系随着粒子密度的增加,存在一个活性粒子的定向运动涌现行为. 此现象在无各向异性相互作用或者无活性驱动的体系中无法观察到. 另外涌现行为发生的临界转变密度会随着活性大小和各向异性相互作用强度的增大而减小,且通过调节活性大小和各向异性相互作用强度大小可以控制体系不同状态的转变. 最后借助动力学理论分析,重复出了模拟结果的基本特征. 结果论证了单个粒子层次上的各向异性相互作用足以导致活性体系进入稳定的群体定向运动.     

驻波声场中单分散细颗粒的相互作用特性

利用外加声场促进悬浮在气相中的细颗粒发生相互作用,进而引起颗粒的碰撞和凝并,使得颗粒平均粒径增大、数目浓度降低,是控制细颗粒排放的重要技术途径.为探究驻波声场中单分散细颗粒的相互作用,建立包含曳力、重力、声尾流效应的颗粒相互作用模型,采用四阶经典龙格-库塔算法和二阶隐式亚当斯插值算法对模型进行求解.将数值模拟得到的颗粒声波夹带速度和相互作用过程与相应的解析解和实验结果进行对比,验证模型的准确性.进而研究颗粒初始条件和直径对相互作用特性的影响.结果表明,初始时刻颗粒中心连线越接近声波波动方向、颗粒位置越接近波腹点,颗粒间的声尾流效应就越强,颗粒发生碰撞所需要的时间就越短.研究还发现,颗粒直径对颗粒相互作用的影响取决于初始时刻颗粒中心连线偏离声波波动方向的程度.当偏离较小时,颗粒直径越大,颗粒发生碰撞所需要的时间越短;当偏离很大时,直径较小的颗粒能够发生碰撞,而直径较大的颗粒则无法发生碰撞.     

Colloidal aggregation in a nematic liquid crystal: topological arrest of particles by a single-stroke disclination line

We numerically study many-body interactions among colloidal particles suspended in a nematic liquid crystal, using a fluid particle dynamics method, which properly incorporates dynamical coupling among particles, nematic orientation, and flow field. Based on simulation results, we propose a new type of interparticle interaction in addition to well-known quadrupolar interaction for particles accompanying Saturn-ring defects. This interaction is mediated by the defect of the nematic phase: upon nematic ordering, a closed disclination loop binds more than two particles to form a sheetlike dynamically arrested structure. The interaction depends upon the topology of a disclination loop binding particles, which is determined by aggregation history.     

Magnetization in uniaxial spherical nanoparticles: Consequence on the interparticle interaction

We investigate the interaction between spherical magnetic nanoparticles which present either a single domain or a vortex structure. First the magnetic structure of a uniaxial soft sphere is revisited, and then the interaction energy is calculated from a micromagnetic simulation. In the vortex regime the orientation of the vortex relative to the easy axis depends on both the particle size and the anisotropy constant. We show that the leading term of the interaction is the dipolar interaction energy between the magnetic moments. For particles presenting a vortex structure, we show that the polarization due to the dipolar field must be included. The parameters entering in the dipolar interaction are deduced from the magnetic behavior of the isolated particle.     

电子回旋共振放电中电子与微波互作用特性的粒子模拟和蒙特卡罗碰撞模拟

对电子回旋共振（ECR）放电电离过程中的电子与微波互作用特性进行了理论分析与数值模拟.采用粒子模拟（PIC）方法描述带电粒子与微波的互作用,采用蒙特卡罗碰撞（MCC）方法描述粒子间碰撞过程及带电粒子与边界的相互作用.编写了准三维的PIC/MCC数值模拟程序,并对放电过程中电子能量与微波场随时间、空间的演化进行了数值诊断. 关键词： 电子回旋共振放电 粒子模拟 蒙特卡罗方法 电离     

Two-dimensional Monte Carlo simulations of a suspension comprised of magnetic and nonmagnetic particles in gradient magnetic fields

Distributions of particles in a suspension comprised of magnetic particles (MPs) and nonmagnetic particles (NPs) under gradient magnetic fields are vitally important for the preparation of magnetic-nonmagnetic functionally graded materials (FGMs). In the present study, the effects of magnetic field gradient, magnetic interaction between MPs and concentration of NPs on the distributions of particles in the suspension are investigated using a two-dimensional Monte Carlo simulation. The results show that a gradient distribution of MPs is formed under gradient magnetic fields and increases with increasing the field gradient. However, as the interaction between MPs increases, the distribution gradient decreases, accompanied by the formation of chain-like MP clusters. Moreover, NPs are found to hinder the translation of MPs along the field direction. As the NP concentration increases, the translation of MPs becomes difficult.     

Dynamic fractal structure of emulsions due to motion and interaction of the particles: Numerical simulation

The method of numerical simulation is used to study the geometrical structure of micro-emulsions in the plane. It is found that the interaction between the particles leads to the formation of a dynamic homogeneous fractal structure of the micro-emulsion. In the absence of any interaction between the particles the structure of the emulsion is homogeneous. The interaction energy of the particles at which the fractal inhomogeneity arises is close in magnitude to the interaction energy of the particles in real (e.g., aqueous) micro-emulsions. It is also found that the size of the inhomogeneities (correlation radius) depends on the particle density in the system and is largest for the density of the percolation transition. The numerical simulation data qualitatively coincide with the results of measurements in real micro-emulsions. Zh. éksp. Teor. Fiz. 111, 1314–1319 (April 1997)     

Monte Carlo calculation of the magnetization behavior and the magnetocaloric effect of interacting particles

The magnetization behavior and the magnetic entropy change of a system made up of ferromagnetically interacting particles are calculated by using Monte Carlo simulation. The effect of the magnetic anisotropy of particles and the dipolar–dipolar interaction between particles on the magnetization and the magnetic entropy change of the system are discussed. It is found that there is no spontaneous magnetization, both the magnetic anisotropy of particles and the dipolar–dipolar interaction between particles restrains the system's magnetizing in the external magnetic field. The magnetic entropy change decreases with the increase in temperature in the system without the dipolar–dipolar interaction; however, the dipolar–dipolar interaction between particles makes the magnetic entropy change of the system have maximum value at low temperatures.     

A Monte Carlo simulation study of associated liquid crystals

We have performed a Monte Carlo simulation study of a system of ellipsoidal particles with donor—acceptor sites modelling complementary hydrogen-bonding groups in real molecules. We have considered elongated Gay—Berne particles with terminal interaction sites allowing particles to associate and form dimers. The changes in the phase transitions and in the molecular organization and the interplay between orientational ordering and dimer formation are discussed. Particle flip and dimer moves have been used to increase the convergency rate of the Monte Carlo (MC) Markov chain.     

具有幂次相互作用的磁性粒子凝聚过程的数值研究

在扩散限制凝聚模型的基础上引入粒子的自旋自由度(包括自旋向上和向下),并假设粒子间存在幂次Ising磁相互作用,采用Monte Carlo方法研究了在不同相互作用力程情况下磁性粒子的分形生长规律.模拟结果表明,当粒子间以反铁磁方式耦合时,凝聚体中的粒子自旋交替凝聚.当粒子间以铁磁方式耦合时,凝聚体中粒子的自旋分布与相互作用力程有关:对于短程作用系统,凝聚体中存在大小不同的自旋畴块,即为铁磁生长;而对于长程相互作用系统,凝聚体中的自旋出现反常分布,即中心区域是近似反铁磁生长的结构,其外围后续生长的粒子却保持 关键词： 幂次相互作用 扩散限制凝聚模型 自旋     

Friction coefficients and directed motion of asymmetric test particles

The behavior of a test particle in a rarefied gas of classical particles is investigated. considering different interaction mechanisms (specular and diffuse reflection, respectively). For large mass ratio between test and gas particles, analytical expressions for the linear friction coefficient are derived. Moreover, the existence of directed motion of asymmetric test particles with distinct initial conditions (but in the absence of any gradients) is shown. The analytical results are supported by a numerical simulation technique applicable to systems with any mass ratio, which is described here in detail.     

Analysis of pair interparticle interaction in nonideal dissipative systems

A new method is proposed for determining the interaction forces between particles in nonideal dissipative systems with isotropic pair potentials. The method is based on the solution of the inverse problem describing the motion of interacting particles by a system of Langevin equations and allows one to recover the parameters of the external confining potential without referring to a priori information on the friction coefficients of the particles. This procedure was tested by a numerical simulation of the problem in a wide range of parameters typical of experimental conditions in a laboratory dusty plasma. The results of the first experimental approbation of the method as applied to the analysis of the interaction of dust particles in a laboratory high-frequency capacitive discharge plasma are presented.     

电子回旋共振放电的电离特性PIC/MCC模拟(Ⅰ)——物理模型与理论方法

采用粒子模拟与蒙特卡罗相结合(PIC/MCC)的方法对电子回旋共振(ECR)放电中的电离过程进行了模拟，其中带电粒子与微波的相互作用由PIC方法的电磁模型描述，粒子间的碰撞过程由MCC方法描述.考虑的碰撞类型有电子与中性粒子的弹性、激发、电离碰撞，离子与中性粒子的弹性、电荷交换碰撞，碰撞截面均依赖于能量而变化.阐述了理论分析的过程，为数值模拟ECR放电奠定了基础. 关键词： 电子回旋共振放电 粒子模拟 蒙特卡罗 电离     

Influence of wall motion on particle sedimentation using hybrid LB-IBM scheme

We integrate the lattice Boltzmann method (LBM) and immersed boundary method (IBM) to capture the coupling between a rigid boundary surface and the hydrodynamic response of an enclosed particle laden fluid. We focus on a rigid box filled with a Newtonian fluid where the drag force based on the slip velocity at the wall and settling particles induces the interaction. We impose an external harmonic oscillation on the system boundary and found interesting results in the sedimentation behavior. Our results reveal that the sedimentation and particle locations are sensitive to the boundary walls oscillation amplitude and the subsequent changes on the enclosed flow field. Two different particle distribution analyses were performed and showed the presence of an agglomerate structure of particles. Despite the increase in the amplitude of wall motion, the turbulence level of the flow field and distribution of particles are found to be less in quantity compared to the stationary walls. The integrated LBM-IBM methodology promised the prospect of an efficient and accurate dynamic coupling between a non-compliant bounding surface and flow field in a wide-range of systems. Understanding the dynamics of the fluid-filled box can be particularly important in a simulation of particle deposition within biological systems and other engineering applications.     

颗粒质量导致的电流变液结构演化特征

考虑电流变液颗粒质量的影响及多粒子近程相互作用,利用等效平板电导模型,由分子动力学方法模拟了泊肃叶流动状态下电流变液结构的演化过程特征;设计制作了实验装置,观测了泊肃叶流动行为,并与模拟结果进行比较.研究表明:在外电场作用下,计及颗粒质量效应后,电流变液结构演化中跃迁区速度变化的峰值减小,进入柱塞区状态的时间延长,柱塞区的宽度加大,且颗粒质量越大,效应越显著.实验观测的泊肃叶流动行为与模拟结果基本相符,且观察到极板壁上的颗粒静止不动,证明了“极板壁上颗粒静止不动”这一假设的正确性 关键词： 电流变液 泊肃叶流动 等效平板电导模型 结构演化