粉末材料堆积的物理模型与仿真系统

研究了粉末材料堆积过程仿真的物理模型和系统,并探讨了适合多种不同粒径颗粒混合堆积过程仿真的高性能计算方法.在该仿真系统中,考虑了重力、接触力、阻尼力、摩擦力和范德瓦耳斯力等多种作用力的影响,集成了多种接触力模型和阻尼模型,使其适用于三维大规模粉末材料堆积过程的计算机仿真.利用该系统对粉末材料领域中的两个典型应用进行了模拟研究.模拟了两种相同密度不同粒径颗粒（粒径比为10）的混合堆积过程.当小颗粒数为大颗粒数的300倍时,得到最大的堆积密度（体积分数）为0.82.另外,还模拟了两种不同密度相同粒径颗粒的混合堆积过程.当堆积结束时,出现了明显的分离（segregation）现象和团聚现象.所研究的物理模型和仿真系统既可用于粉末材料堆积过程研究,亦可用于普通的球形物体堆积过程的模拟研究. 关键词： 粉末堆积 物理模型 仿真系统 离散元法     

Optical properties of aggregate particles comparable in size to the wavelength

The angular dependence of brightness and linear polarization of randomly oriented aggregates has been investigated in order to find rules connecting their scattering properties with their structure, packing density, complex refractive index, and number and size of the spheres forming the aggregate. Our study is based on an interpretation in terms of successive orders of scattering, in particular on the analysis of the contribution of the interference and near-field effects. Such an approach allowed us to explain and interrelate the main peculiarities of the angular dependence of the intensity and polarization displayed by aggregates. Of special interest are the aggregates showing a so-called negative branch of linear polarization of light scattered into angles close to the backscattering direction. It has been shown that the enhancement of intensity and the negative polarization in this angular range are mainly caused by the interference of multiply scattered waves as well as by near-field effects. If the number of particles in the aggregate is large enough and its size is comparable to the wavelength, the backscattering enhancement is caused by the particles in the surface layers of the aggregate, where the radiation field is mostly homogeneous, while the negative branch is mainly generated by the deeper layers of particles, where the radiation field is inhomogeneous with chaotic changes of amplitudes and phases. This results in a rather weak dependence of the negative polarization on particle location in the deeper layers of the aggregate and on particle number but not on packing density.     

Features of light transmission through monolayer of structurally identical anisotropic domains with random azimuthal orientation

Multidomain layers consisting of identical or nearly identical optically anisotropic domains with random in-plane orientation, manifest mixed, partly regular and partly diffuse transmission. In this paper, a simple theoretical model allowing the estimation of the ratio of the scattered and nonscattered components of the transmitted light as well as the polarization state of nonscattered component from optical parameters of a single domain is proposed. In particular, this model describes well the phenomenon of spectral selectivity observed on domain structures consisting of homogeneous birefringent domains. The results of experimental investigations of optical properties of multidomain LC layers, supporting the validity of the proposed model, are presented.     

Charm,bottom and top production in high energy electron proton collisions

Differential cross sections for electroproduction of charm, bottom and top quarks are calculated via all contributing 2 → 2 and 2 → 3 QCD subprocesses. Fragmentation of heavy quarks to heavy hadrons and effects due to weak chain decays of the heavy quarks are taken into account. We also calculated background contributions given by the production of two or three light-quark jets both via the neutral and charged current processes. We point out that, similarly to the case of hadron colliders, it will be necessary to require final state lepton(s) to suppress the jet background. To separate charm and bottom production we have to require at least one hard muon or two isolated leptons and one jet in the final state. We show that two or more jet production via the charged current mechanism and bottom production with hard gluon bremssrahlung are the most important background contributions in top search. However, we also show that they become negligible by requiring one lepton, two or three jets and large missing energy in the final state. We estimate that the discovery limit on the top quark mass value is about 70 GeV at HERA.     

Transition from homogeneous to inhomogeneous flows in a lattice-gas binary mixture of slender particles

We study the unidirectional flow of a binary mixture of biased-random walkers on a square lattice under a periodic boundary. The lattice-gas mixture consists of two types of slender particles (walkers) which have different biases (drift coefficients). When the density is higher than a critical value, a dynamical transition occurs from the homogeneous flow to the inhomogeneous flow and clogging appears. The inhomogeneous state returns to the homogeneous congested flow with further increasing density. The clogging does not appear in the unidirectional flow of the conventional lattice-gas binary mixture of single-site particles. The jamming (clogging) transition is clarified for various sizes of slender particles.     

Simulation of periodic mono-sized hard sphere systems under different vibration conditions and resulting compaction

This paper presents a simulation study of confined periodic mono-sized hard sphere systems under different vibration conditions and their influence on the final compaction. An initial random loose packing is submitted to a series of vibration cycles allowing to transform it into a “suspension” in which a given proportion of particles have the possibility to vibrate. This “suspension” is then let to settle down and brought to a new denser packing. Different random local rules are used for the simulation of the displacements of particles during vibration.Firstly, a symmetric vibration is applied in which particles attempt to perform vertical upwards and downwards displacements of equal length. Shocks between particles are simply simulated by random upwards or downwards displacements. It has already been shown that in these conditions, and when the whole system is vibrating, the final packing density can be related to the initial density and to the vibration amplitude (“suspension model”). We show here that for a periodic packing, this model can be extended to partial “suspensions” in which only a proportion of particles is vibrating. An excellent agreement is found between this model and the simulation results as long as the packing is disordered. For large vibration amplitudes, an order appears amongst the system allowing to reach high densities (up to 0.66).Then, the symmetric vibration is replaced by a random vibration in which particles attempt to perform alternatively random upwards and downwards displacements whose inclination with the vertical axis follows a normal distribution. It is shown that in these conditions, the vibration still allows transforming the initial packing into a partial “suspension” but the proportion of vibrating particles is lower than for the symmetric vibration previously used. However, the “suspension model” can be extended with a reasonable agreement to this kind of vibration.     

Polarization of near-forward-scattered light from particulate substrates illuminated at near-grazing angles

Laboratory photopolarimetric measurements of light scattered by substrates consisting of semitransparent particles with sizes significantly larger than the wavelength show a polarization shoulder at small scattering angles near θ=10-30° in addition to the Brewster maximum positioned near θ=50°. With ray-tracing simulations, we find that the shoulder appears to be related to light passing through particles in the upper layers of the substrates. We study the dependence on particle absorption and packing density of particulate substrates. The studies show that the shoulder weakens with increased absorption and packing density.     

DEM simulation of small particles clogging in the packing of large beads

The percolation of small particles through a periodic random loose packing of large beads is studied numerically with the Distinct Element Method. The representativity of periodic mono-sized sphere packing of varying system size was first studied by comparing their pore size distributions and tortuosities with those of a larger system, considered as an infinite medium. The results show that a periodic packing of size as low as 4-grain diameters gives a reasonable representation of the porous medium and allows reducing considerably the number of particles that has to be used in the simulations. The flow and clogging of small particles of varying concentrations and friction coefficients flowing through the former packing are then studied numerically. Results show that a steady state is rapidly reached where the mean velocity and mean vertical velocity of small particles are both constant. These mean velocities decrease with an increase in friction coefficient and in small particle concentration. The influence of the friction coefficient μ is much less marked for values of μ larger than or equal to 0.5. The distribution of small particles throughout the crossed packing becomes rapidly heterogeneous. Small particles concentrate in some pores where their velocity vanishes and where the density can reach values larger than the density of the random loose packing. The proportion of particles blocked in these pores varies linearly with concentration. Finally, the narrow throats of the porous medium responsible for blocking are identified and characterized for different values of the friction coefficient.     

Numerical Simulation of Random Close Packings in Particle Deformation from Spheres to Cubes

Variation of packing density in particle deforming from spheres to cubes is studied. A new model is presented to describe particle deformation between different particle shapes. Deformation is simulated by relative motion of component spheres in the sphere assembly model of a particle. Random close packings of particles in deformation form spheres to cubes are simulated with an improved relaxation algorithm. Packings in both 2D and 3D cases are simulated. With the simulations, we find that the packing density increases while the particle sphericity decreases in the deformation. Spheres and cubes give the minimum (0.6404) and maximum (0.7755) of packing density in the deformation respectively. In each deforming step, packings starting from a random configuration and from the final packing of last deforming step are both simulated. The packing density in the latter case is larger than the former in two dimensions, but is smaller in three dimensions. The deformation model can be applied to other particle shapes as well.     

Equations for the distributions of functionals of a random-walk trajectory in an inhomogeneous medium

Based on the random-trap model and using the mean-field approximation, we derive an equation that allows the distribution of a functional of the trajectory of a particle making random walks over inhomogeneous-lattice site to be calculated. The derived equation is a generalization of the Feynman-Kac equation to an inhomogeneous medium. We also derive a backward equation in which not the final position of the particle but its position at the initial time is used as an independent variable. As an example of applying the derived equations, we consider the one-dimensional problem of calculating the first-passage time distribution. We show that the average first-passage times for homogeneous and inhomogeneous media with identical diffusion coefficients coincide, but the variance of the distribution for an inhomogeneous medium can be many times larger than that for a homogeneous one.     

Coherent transmission and angular structure of light scattering by monolayer films of polymer dispersed liquid crystals with inhomogeneous boundary conditions

We consider monolayer polymer films with oriented droplets of a nematic liquid crystal (LC). Relations for the coherent transmission coefficients of a layer of oriented ellipsoidal droplets and for the intensity of light scattered by monolayers of spherical and spheroidal droplets have been obtained. The amplitude-phase screen model and the interference approximation of the theory of multiple wave scattering have been used. To describe light scattering by an individual ellipsoidal droplet with inhomogeneous surface binding, we have developed an anomalous diffraction approximation. For monolayers of spherical LC droplets, the coherent scattering coefficients and the angular scattering structure have been analyzed. The internal structure of nematic droplets have been calculated by the relaxation method based on the solution of the minimization problem of the free energy volume density. We have studied basic regular features of light scattering by a monolayer with homogeneous and inhomogeneous boundary conditions at the LC-polymer interface. We show that, for films that contain droplets with inhomogeneous boundary conditions of the tangentially normal type, the angular structure of the scattered light is asymmetric with respect to the polar scattering angle.     

Nature of the transition from two- to three-dimensional ordering in a confined colloidal suspension

We report the results of extensive molecular dynamics simulations of solid-to-solid transitions in two- to six-layer colloidal suspensions confined between two smooth parallel walls. The studies are designed to elucidate the ordered particle packings that interpolate between the structures of two- and three-dimensional crystals in a confined space. At a fixed density per layer, as the wall separation increases we find a sequence of stable phases, each characterized by uniform amplitude buckling along the normal to the layer planes. The buckling is coupled to an in-plane ordering transition. The buckled phases alternate with phases whose structures contain only parallel planes of particles. The relative densities of the positively and negatively displaced particles in a buckled layer, the in-plane structures, and the behavior with respect to increasing wall separation of the split density distribution that characterizes a buckled layer, clearly identify these layers as intermediates in the reconstructive transformations ntriangle up-->(n+1) square that occur when the character of the constrained space evolves from being two dimensional to being three dimensional (triangle up denotes layers with hexagonal packing symmetry, while square denotes layers with square packing symmetry). The two transitions, ntriangle up-->n-buckled-->(n+1) square, are found to be first order.     

Reversing the Brazil-nut effect: competition between percolation and condensation

We report on experiments on vertically shaken binary granular mixtures, which separate into their components due to the external excitation. This well-known phenomenon, where large particles rise to the top of the mixture, is called the Brazil-nut effect. Recent theoretical findings predict also a reverse Brazil-nut effect, where large particles sink to the bottom of the container. We choose spherical beads of various diameters and materials in order to observe the transition from Brazil-nut effect to its reverse form. The direction of demixing depends sensitively on the external excitation, so that it is possible to switch between both effects for a given mass density ratio.     

颗粒离散元模拟中的阻尼系数标定

离散元模型中所采用的阻尼系数是不确定的,经常凭主观经验设定.为了使得物理模型与现实中的颗粒动力学属性符合更好,通过采用声频采样技术对物理模型中的阻尼系数进行标定,得出与实验符合的阻尼系数应为0.5左右.利用标定后的阻尼系数模拟了一元颗粒在圆柱形容器里的随机堆积过程,得到最终的堆积密度为0.625,与经典的实验结果一致.研究证明,在得到模型阻尼系数的同时,也确认了数值模型的正确性和用声频采样技术进行高精度碰撞时间检测的可行性. 关键词： 颗粒堆积 阻尼系数标定 声频采样 离散元法     

Y_2BaCuO_5粒子在准单畴超导块材中的分布及其对磁悬浮力的影响

熔融织构准单畴YBCO超导块材中的Y2BaCuO5(Y-211)相粒子可以起到增强材料磁通钉扎力的作用.实验发现,顶部籽晶诱导生长熔融织构YBCO超导块材中的Y-211粒子分布呈不均匀性.Y-211相粒子在近籽晶处密度较低,而在样品底部则密度较高,并且呈现Y-211粒子团聚现象.通过优化Y-211相粒子在母体中的分布,可以有效提高YBCO块材的磁悬浮力.实验研究结果表明,Y-211相粒子在母体中的分布越均匀,且Y-211粒子平均粒径越小,则块材的磁悬浮力则越大.     

Y2BaCuO5粒子在准单畴超导块材中的分布及其对磁悬浮力的影响

熔融织构准单畴YBCO超导块材中的Y2 BaCuO5(Y-211)相粒子可以起到增强材料磁通钉扎力的作用.实验发现,顶部籽晶诱导生长熔融织构YBCO超导块材中的Y-211粒子分布呈不均匀性.Y-211相粒子在近籽晶处密度较低,而在样品底部则密度较高,并且呈现Y-211粒子团聚现象.通过优化Y-211相粒子在母体中的分布,可以有效提高YBCO块材的磁悬浮力.实验研究结果表明,Y-211相粒子在母体中的分布越均匀,且Y-211粒子平均粒径越小,则块材的磁悬浮力则越大.     

Dependence of the Mean Intensity of a Low-Frequency Acoustic Field on the Bottom Parameters of a Shallow Sea with Random Volumetric Water-Layer Inhomogeneities

The study is devoted to statistical modeling of low-frequency acoustic signal propagation in a twodimensionally inhomogeneous random shallow sea with a thermocline and differing penetrability of the bottom. Calculations are performed using the local-mode representation of the solution in the one-way propagation approximation. Plots are presented for the behavior of the mean acoustic field intensity for different sound velocity and density values in the bottom. It is shown that the earlier described effect of a decrease in propagation losses in a model randomly inhomogeneous shallow sea with an absorbing bottom significantly depends on the parameters of bottom sediments and is more strongly manifested for bottom boundaries with greater penetrability.     

The density matrix of scattered particles

The derivation of the expression for the density matrix of scattered particles in terms of that of the incident ones, taking different impact parameters into account, shows that under well-specified and realistic conditions, the final density matrix is of the same kind as the initial one. Thus the final mixed state after a collision can be used directly as the initial mixed state in a subsequent collision. Contrary to a recent claim by Band and Park, there are no “fundamental difficulties with quantum mechanical collision theory.”     

Effect of excitation and detection angles on photoluminescence spectrum from ZnO nanorod array

The angular dependent photoluminescence from ZnO nanorod array was investigated. Variations in the excitation and detection angles provided to reveal a blue shift and then splitting of a near-band edge emission into two bands. It is suggested that the observed phenomenon is caused by an inhomogeneous distribution of the emission along the nanorod length. The spatially resolved cathodoluminescence measurements confirmed that indeed the emission along the length of the nanorod is inhomogeneous and the top and bottom parts of the nanorod exhibit different emission spectra.     

纳米流体液滴内的光驱流动实验及其解析解

在光透过性的流体介质中添加具有高光响应特性的纳米颗粒,可以形成光驱动纳米流体,实现对光能的高效利用.本文针对光驱纳米流体流动行为开展实验观察和理论分析研究,这是实现光驱纳米流动精确调控的理论基础.首先利用粒子图像测速技术对液滴中直径为300 nm的Fe3O4颗粒在不同光源照射下受Marangoni效应诱导的运动进行了实验观测,研究光能向动能的高效转化机制.实验结果表明,当颗粒浓度大于临界数密度时,可诱导出垂向具有对称结构的涡,在液滴底部颗粒由四周向中心运动,顶部则由中心向四周运动,光源频率和颗粒数密度是这一过程的主导因素.随后,针对光强高斯分布的紫外光驱动下大颗粒数密度、特征流速约mm/s的光驱纳米流体,通过Stokes方程和表面张力梯度边界条件实现了其流场分布的解析求解,理论获得的流场分布解析解与实验测量结果保持一致,证实定量理论分析的有效性.最后,讨论了引入表面张力与在液滴底部引入表面压力及体相中集中引入光辐射力的不同驱动模式之间的相关性.这一研究成果为光微流控系统中流动行为的精确调控及光能的高效转化等提供了理论支持.