高氧化态（Ⅱ─Ⅳ）三核金属簇合物构型的人工神经网络判别方法

本文运用一典型的人工神经网络模型─“反向传播”模型，对高氧化态（Ⅱ─Ⅳ）三核金属簇合物的构型分布进行了分析，得到了较好的分类、预报结果为化合物结构分析提供了新的工具。     

Effect of vibration condition and inter-particle frictions on the packing of uniform spheres

We present a numerical study of the packing of uniform spheres under three-dimensional vibration using the discrete element method (DEM), focusing on the effects of vibration condition (amplitude and frequency) and inter-particle frictions (sliding and rolling frictions). The results are analysed in terms of packing density, coordination number (CN), radial distribution function (RDF) and pore structure. It is shown that increasing either the vibration amplitude or frequency causes packing density to increase initially to a maximum and then decrease. Both vibration frequency and amplitude should be considered to characterize the effect of vibration process on packing structure. The sliding and rolling frictions between particles can decrease packing density since they dissipate energy, although the effect of rolling friction is less significant. In line with the change of packing density, microstructural properties such as CN, RDF and pore distribution also change: a looser packing often corresponds to smaller CN, less peaked RDF and larger but more widely distributed pores.     

Spin Dependent Hopping in Ti Doped La0.67 Ca0.33 MnO3

A systematic investigation of the magnetic and transport properties of Ti doped La0.67Ca0.33MnO3 was reported. The Ti substitution for Mn ions results in a reduction in ferromagnetism and conductivity. The metal-insulator transition temperature is close to Curie temperature which decreases from 274 to 82 K as x increases from 0 to 0.17. The most important effect of Ti doping is to introduce spin clusters in the samples due to the distortion of local lattice and the inhomogeneous magnetic structure induced primarily by the random distribution of Mn ions. A maximum magnetoresistance ratio as large as 90% in 1 T at 122 K was obtained for the sample with x =0. 055, which is four times larger than that obtained for LCMO sample at 272 K. There is a remarkable field-history dependent MR in the cooling process for the doped samples while such phenomenon disappears in the warming run. The resistivity follows well the variable range hopping behavior in paramagnetic state. Both the size effect and spin dependent hopping of carriers between the spin clusters should be considered in this system.     

Low temperature synthesis of aluminium titanate by an aqueous sol-gel route

Formation of aluminium titanate (AT) has been achieved at low temperature through sol-gel process using boehmite and titanium hydroxide as precursors by controlling the particle size at nanoscale followed by in-situ peptisation. The formations of AT phase, particle size distributions, sintering and thermal expansion characteristics, and microstructural features have been reported. DTA and XRD analysis have been performed to confirm the formation of AT. A 94% relative density was obtained for aluminium titanate sintered at 1550 °C with controlled grain size in the range of 2-3 μm.     

反应离化团束（RICB）法生长CN硬质薄膜

用反应离化团束（ＲＩＣＢ）法，以低分子量聚乙烯为蒸发材料，氨气为反应气体，在ＮａＣｌ（１００）和Ｓｉ（１００）衬底上淀积Ｃ－Ｎ薄膜，透射电子衍射（ＴＥＭ）分析表明薄膜中含有β－Ｃ３Ｎ４晶粒，Ｘ射线光电子谱（ＸＰＳ）和红外吸收谱（ＩＲ）表明存在Ｃ，Ｎ原子的化学键合。     

脉冲化学沉积非晶态Ni—P合金原子分布函数研究

采用Ｘ射线衍射分析技术，研究了脉冲化学镀非晶态Ｎｉ－Ｐ合金的原子分布和函数，得出其短程有序原子集团的尺度为０．７５４ｎｍ，约为熔体激冷法获得的非晶态Ｎｉ－Ｐ合金短程有序畴的１／２。并利用脉冲化学沉积非晶态合金的微机制择这一结果进行了解释。     

ON THE MODELLING OF PARTICLE-BODY INTERACTIONS IN STOKES FLOWS INVOLVING A SPHERE AND CIRCULAR DISC OR A TORUS AND CIRCULAR CYLINDER USING POINT SINGULARITIES

Few exact solutions of the Stokes equations are known, even for steady or quasi-steady flows, involving finite sized bodies, and numerical techniques generally have to be resorted to for finding solutions. However, quite effective modelling of flows involving complicated boundary geometries is possible using the three-dimensional Stokeslet and rotlet point singularities. Two problems are studied in detail. In the first example, exact solutions for the three-dimensional Stokeslet and rotlet placed axisymmetrically along the axis of a circular disc are found and combined with Brenner's first order interaction formulae to determine the effect of the presence of the disc on the force and torque acting on a particle whose dimensions are small compared with its distance from the disc. The results are compared with those of a full numerical integration of the Stokes equations for a sphere translating towards a disc. In the second example, Brenner's first order wall correction theory is applied to the motion of a particle in a circular cylinder using the exact solutions for a torus translating or rotating in isolation. The theoretical predictions for the drag on a torus settling symmetrically in a circular cylinder are compared with those determined experimentally.     

Prediction of Final Product Properties After Cocurrent Spray Drying

The effect of drying and atomization conditions on the physical properties of powders for agglomerate-like materials and skin-forming material are studied in this article. A neural model is used for powder bulk and tapped density predictions.