Size effect during two-particle agglomeration: Results of molecular dynamics simulation

The microscopic mechanisms controlling the atomic rearrangements during agglomeration of Ni particles 3 to 7 nm in size at temperatures T = 0.6–0.95 T _m have been studied by the molecular dynamics method. Pentagonally twinned crystals were obtained as a result of coalescence for the disorientations corresponding to special Σ11 and Σ27 large-angle boundaries.     

Motion of a spherical body in a viscous suspension

The problem of drag of an arbitrary-size solid sphere with its motion in a uniform monodispersed viscous suspension is considered in the Stokes approximation. The expression for the effective suspension viscosity is derived in the first approximation over the volume concentration of the viscous suspension. The coefficient before the concentration is found in the form of an explicit analytical function, which depends on the ratio of sizes of the dispersed particles and the body. The found coefficient coincides with Einstein’s result at the limit of “point” dispersed particles, the size of which is negligibly small compared with the size of the moving sphere, but can substantially differ from it in the case of finite-size particles.     

Linear response theory of sedimentation and diffusion in a suspension of spherical particles

We discuss the problem of sedimentation and diffusion in a suspension of interacting spherical particles. We consider external forces acting on the particles and study the linear response of density and current on the basis of the generalized Smoluchowski equation. The theory leads to a natural distinction between a hydrodynamic and a diffusion current. Each of these is defined as an observable in terms of the generalized mobility matrix. We derive general relations for the response functions.     

羟基磷灰石团聚体的冲击波活化与烧结研究

 研究了经冲击波处理的羟基磷灰石粉末团聚体的活性及其烧结性能。X射线衍射（XRD）及扫描电镜（SEM）分析表明，冲击波对羟基磷灰石团聚体粉末具有明显的均化与细化作用，并产生了一定程度的晶格畸变，可促进羟基磷灰石陶瓷的烧结。粉体中储存的缺陷能在烧结过程中释放，使受冲击试样比未受冲击试样达到最大线收缩率时的温度降低70 ℃，羟基磷灰石陶瓷的强度和密度明显提高。     

Stability analysis of a spherical electrostatic suspension in a liquid in the induction approximation

In [1] the image force was shown to impose additional conditions for the electrostatic suspension of a sphere without dynamic control of the electrode potential, and the dependence of the critical voltage between the electrodes on the sphere radius was derived experimentally. In this work, this dependence is found analytically by calculating electrical forces in the third-order approximation in shift of the sphere from equilibrium.     

Transient settling of a dilute spherical suspension droplet at low Reynolds number

The transient settling in a viscous incompressible fluid of a spherical dilute cloud of particles starting from rest under the influence of a small constant applied force is studied in a continuum model on the basis of the linearized Navier-Stokes equations. Explicit expressions are derived for the motion of the cloud and for the flow velocity and pressure of the fluid. Equations of transient Stokesian dynamics are formulated that allow numerical study of the motion of a dilute cloud of particles of arbitrary initial configuration.     

The Clausius-Mossotti formula and its nonlocal generalization for a dielectric suspension of spherical inclusions

Employing a recently developed cluster expansion for the effective dielectric constant of a suspension of spherical inclusions, we show which parts of the cluster integrals give rise to the Clausius-Mossotti formula. The same selection of terms is then used to obtain an approximate expression for the wave-vector-dependent effective dielectric tensor. For a system of hard spheres with only dipole polarizability this expression is evaluated in closed form. This last result is then used to derive the form of the electrostatic potential due to a point charge in the effective medium. For physically reasonable values of the polarizability, the potential has asymptotically the form corresponding to a medium with the Clausius-Mossotti dielectric constant, while at short range it oscillates about this form. For values of the polarizability beyond the physical range critical points are found at which the oscillations become long range.     

Structure in LEED Bragg reflexes of spherical Ag crystals

LEED at room temperature is performed on spherically-shaped silver crystals grown by solidification of a drop of melt. The domains of intensity in the reciprocal lattice, which are usually rodlike, change to double cones caused by the crystal sphere. The size and the structure of Bragg reflexes were studied as a function of primary electron energy and diffraction geometry. The influence of impurities on the diffraction patterns is examined.     

Size dependence of multipolar plasmon resonance frequencies and damping rates in simple metal spherical nanoparticles

We have simulated the non-equilibrium dynamics of methanol adsorbed in FAU zeolite driven by external microwave (MW) radiation. We have modelled steady states produced by augmenting this MW-driven system with a thermostat that acts as a balancing heat sink. We have compared results from an implicit thermostat (Andersen velocity replacement) and an explicit thermostat (helium atoms subjected to Andersen velocity replacement). We find very good agreement between the implicit and explicit thermostats for energy distributions and diffusion coefficients produced under MW-heated steady-state conditions. This augurs well for the continued use of implicit thermostats, which are computationally more efficient.     

Rescaled mean spherical approximation structure factor for an aqueous suspension of polystyrene spheres

Rescaled mean spherical approximation (RMSA) has been used to calculate the structure factor for the aqueous suspension of polystyrene macroions with the interaction potential taken according to Derjaguin and Landau (1941) and Verwey and Overbeek (1948) (DLVO) model. The effects of charge over the macroion and size on the surface potential and therefore, the structure factor have been studied. The breakdown of the DLVO potential with an excess charge over the macroion (⩾800e) has been reported. The oscillation in the first peak height of structure factor versus wave vector curve with size has been correlated with the Debye length.     

Size dependence of ground-state energy of the excitons in spherical Y2O3

The exciton energies of rare earth oxides (Ln₂O₃) have rarely been calculated by the theory. Experimentally, the blue-shift of exciton energy in nanocrystals deviates from the traditional size confinement effect. Herein, the dependence of the ground-state energy of an exciton in Y₂O₃ spheres on particle radius was calculated by using a variational method. In the model, an exciton confined in a sphere surrounded by a dielectric continuum shell was considered. The ground-state energy of exciton comprises kinetic energy, coulomb energy, polarization energy and exciton–phonon interaction energy. The kinetic and coulomb energy were considered by the effective mass and the dielectric continuum and the exciton–phonon interaction energy was given by the intermediate coupling method. The numerical results demonstrate that the present model is roughly consistent with the experimental results. The confinement effect of the kinetic energy is dominant of the blue-shift of the exciton energy in the region of R < 5 nm, while confinement effect of the coulomb energy is dominant of the blue-shift of the exciton energy in the region of R > 5 nm. The polarization energy contributes largely to the exciton energy as the particle size is smaller than ~ 10 nm, while the exciton–phonon interaction energy takes only a little contribution in all the range.     

Procedures for Controlling the Size, Structure and Optical Properties of CdS Quantum Dots during Synthesis in Aqueous Solution

We report an easy approach for the synthesis of CdS Quantum Dots (CdS QDs) with high luminescence and temporal stability through the reaction of Cd²⁺ and S^2- in the presence of mercaptoacetic acid (MAA) as a capping reagent in aqueous medium, under normal pressure and room temperature. The influence of several experimental variables, including temperature, pH, the Cd/S ratio and the Cd/MAA ratio, on the optical properties of the QDs obtained was studied systematically. The experimental results indicate that these variables play an important role in determining the size and state of the surface of the nanoparticles, and hence their luminescent properties and temporal stability. The general aspects of nanocrystal nucleation and growth in the synthesis of nanocrystals were studied. The best conditions for the synthesis of nanoparticles of high quality are also reported. The CdS nanocrystals obtained exhibited a narrow PL band, with reproducible room-temperature quantum yields.     

声波团聚技术发展现状及在火灾消烟应用前景*

声波团聚技术在细颗粒物排放控制领域具有很好的应用前景,最近衍生发展为一种全新的火灾烟雾控制手段。该文对声波团聚技术发展现状进行全面总结,介绍近年的实验和理论研究进展。随后,阐述了声波团聚消烟的基本原理,并以火灾烟雾中占比较大的电缆燃烧烟雾为实验对象,发现声波团聚技术在一分钟后就实现对电缆燃烧烟雾的完全消除,即存在突出团聚效果。该结果验证了该技术在火灾烟雾控制领域的可行性。最后,依托我国城市发展现状,探讨了声波团聚技术在火灾消烟的发展前景。     

结构与尺寸对碳纳米管物理吸附储氢的影响

采用巨正则蒙特卡罗方法,在298K和10MPa下,系统地研究了碳纳米管及其阵列的物理吸附储氢量与单壁管的管径、多壁管的层间距和管层数、单壁管阵列的管间距和排列方式的关系.发现单壁管的管径等于6nm时,管内的储氢密度达到最大;多壁管的层间距由034nm增大至061或088nm时,物理吸附储氢量明显增大;单壁管阵列的管间距等于17nm时,其管外间隙处的储氢密度达到最大,且方阵阵列优于三角阵列;当单壁管阵列的管间距大于06nm时,其管外的储氢密度均大于管内的储氢密度.指出合理地选择单壁管的管径、多壁管的层间距、单壁管阵列的管间距和排列方式,可以有效地提高碳纳米管及其阵列的物理吸附储氢量,并给出了相应的理论解释.     

Migration and agglomeration of heliumatoms in copper

The magration and agglomeration of Helium atoms in He irradiated Cu was studied between 10 K and 900 K by perturbed γγ angular correlation (PAC) measurements using the radioactive probe atom¹¹¹In. Trapping of interstitial and substitutional He atoms is observed already after irradiation at 10 K. Substitutional He (He-yacancy pair) is bound in the nearest neighbourhood to the¹¹¹In probe atom and seems to be stable up to 725 K (E _He1V1 ^b ≥2.1 eV). The onset of vacancy assisted He agglomeration in Cu is observed at 250 K.