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.     

氧化铝生产管道结疤密度测量方案的讨论

从理论上分析氧化铝生产过程中管道结疤对密度测量的影响，提出利用补偿技术解决结疤对密度测量影响的方案。     

First-principles study of the tensile and fracture of the Al/TiN interface

Employing the density functional theory, we investigate the tensile and fracture processes of the Al/TiN(0 0 1) interface. The simulation presents directly the strain–stress relationship, the ideal tensile strength and the process of bond breaking of the system. Through the analysis of deformation, we find that the softer Al layers deform larger than the harder TiN layers during the tensile process. And fracture occurs between the interface and the sub-interface Al layers. In addition, the results show that during the tensile process, the ripple of the interfacial TiN layer decreases gradually with the increment of the strain. Charge transfer was detected from the Al to TiN layers near the interface area during the tensile process by means of charge density and density of states analyses. The charge transfer affects the fracture process. Compared to our previous study of the Al/TiN(1 1 1) interface, the Al/TiN(0 0 1) interface has smaller work of adhesion and larger tensile strength than the Al/TiN(1 1 1) interface. Our investigation shows that the fractures of the Al/TiN(0 0 1) and (1 1 1) interface systems both happen in the Al layers near the interface.     

速度密度 10m/s住宅

本文通过一次参加日本《新建筑》国际住宅竞赛的经历，就未来高密度城市环境中住宅的生存状态进行了探讨。并试图用以速度来定义密度的方式探索当私密性与公共交往之间出现不可调和的矛盾时一种新的解决之道。     

仿真含裂隙地层地震记录的研究

本文介绍了含裂隙地层二维介质的三分量波动方程和吸收边界条件，叙述了不同裂隙性质地层的仿真单炮记录和横波叠加时间剖面的正演方法，给出了模型及实际的横波叠加剖面仿真实例。     

Adsorption and decomposition of H2S on Pd(1 1 1) surface: a first-principles study

Gradient-corrected density functional theory was used to investigate the adsorption of H₂S on Pd(1 1 1) surface. Molecular adsorption was found to be stable with H₂S binding preferentially at top sites. In addition, the adsorption of other S moieties (SH and S) was investigated. SH and S were found to be preferentially bind at the bridge and fcc sites, respectively. The reaction pathways and energy profiles for H₂S decomposition giving rise to adsorbed S and H were determined. Both H₂S_(ad) → SH_(ad) + H_(ad) and SH_(ad) → S_(ad) + H_(ad) reactions were found to have low barriers and high exothermicities. This reveals that the decomposition of H₂S on Pd(1 1 1) surface is a facile process.     

Non-parametric empirical Bayes procedure

In this paper we introduce an empirical Bayes procedure for estimating an unknown parameter, say θ. This procedure gives the empirical Bayes estimator for θ and its associated minimum posterior risk in closed forms without estimating the unknown prior density function of θ. In such procedure the posterior probability density function of θ is not required. A sufficient statistic for θ with conditional probability density function in the one parameter exponential family is required. Instead of estimating the unknown prior density function, the marginal density function of the sufficient statistic must be estimated. As special cases the empirical Bayes estimators and their respective minimum posterior risks of the failure rate for the exponential distribution, the unknown scale parameters of Weibull and gamma distributions are obtained in simple forms as special cases. Numerical results and a simulation study are introduced to (i) investigate how the number of available past experiments and the sample size of each influence the accuracy of the empirical Bayes estimator, (ii) make a comparison between the presented procedure and the Bayes procedure when the prior probability density function of the parameter θ is gamma.     

Space-charge-limited currents for organic solar cells optimisation

Basic suppositions and microphysical origin of the occurrence of the space-charge-limited currents (SCLC) are presented in general and for the temperature-modulated space-charge-limited currents (TM-SCLC) in particular. The criteria are given for the spectroscopical method TM-SCLC to be used for localized electron states elucidation in organic semiconducting materials for organic solar cells optimization and modelling. The “visibility “of the localized states by SCLC method, i.e. the power of the SCLC method to distinguish the localized states, is tested by the modelling, varying the temperature, energy position of localized states and their concentration. Generally, it was determined that the SCLC measurements results are more reliable with the increased energy of the states, with their increased concentration and with decreased temperature. The correlation (or its absence) between the measured current and activation energy on applied voltage, expressed by the dependence of preexponential factor of conductivity on activation energy (Meyer–Neldel rule), gives the possibility to determine the energy range where the reconstruction of density of localized states function is reliable.     

Density functional theory studies of Cu-zeolite de-NOx catalysts

Summary Recent progress in the modelling of exchanged Cu sites and their interactions with small molecules, based on DFT cluster calculations, is briefly reviewed.     

I．O．T．旧梦成真

该文较详细地介绍了Ｉ．Ｏ．Ｔ管的发展历程，其特点及工作方式。