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.     

On the design of multiple key hashing files for concurrent orthogonal range retrieval between two disks

This paper concerns the following problem: given a set of multi-attribute records, a fixed number of buckets and a two-disk system, arrange the records into the buckets and then store the buckets between the disks in such a way that, over all possible orthogonal range queries (ORQs), the disk access concurrency is maximized. We shall adopt the multiple key hashing (MKH) method for arranging records into buckets and use the disk modulo (DM) allocation method for storing buckets onto disks. Since the DM allocation method has been shown to be superior to any other allocation methods for allocating an MKH file onto a two-disk system for answering ORQs, the real issue is knowing how to determine an optimal way for organizing the records into buckets based upon the MKH concept.

A performance formula that can be used to evaluate the average response time, over all possible ORQs, of an MKH file in a two-disk system using the DM allocation method is first presented. Based upon this formula, it is shown that our design problem is related to a notoriously difficult problem, namely the Prime Number Problem. Then a performance lower bound and an efficient algorithm for designing optimal MKH files in certain cases are presented. It is pointed out that in some cases the optimal MKH file for ORQs in a two-disk system using the DM allocation method is identical to the optimal MKH file for ORQs in a single-disk system and the optimal average response time in a two-disk system is slightly greater than one half of that in a single-disk system.     

液化石油气储罐火灾模拟试验——池火灾环境下

液化石油气储罐在火灾作用下，其内部的温度和压力会迅速上升，从而可能引起储罐爆炸，进而酿成危害性更大的二次灾害。为此，对液化石油气储罐在池火灾环境下的热响应情况进行了大量的模拟试验研究。研究发现，储罐在池火灾作用下存在着明显的热分层，热分层加速了储罐内部压力升高的速度；储罐内部温度分布和压力响应受到储罐类型、充装水平等因素的影响，压力随时间的变化关系可以用三次多项式加以拟合。     

Advances in ALCHEMI analysis

The ALCHEMI method for locating the sites of foreign atoms within crystals is known to be sensitive to the delocalized emission of X-rays. This can result in large errors in some cases through differences in delocalization for different excitations or by error amplification in the ratio method of analysis. An alternative approach to the analysis of ALCHEMI data, using multivariate statistical analysis, is extended to the case of multiple impurities. Initial results from zone-axis channelling experiments for a Yb-doped zirconolite (CaZrTi₂O₇) are shown to confirm the improved accuracy of this method, especially for axial orientations. Data were collected using a 400-keV analytical electron microscope fitted with an intrinsic Ge X-ray detector. The potential advantages for ALCHEMI analysis of Ge detectors are considered.     

同步辐射光刻技术

同步辐射光刻有希望代替传统光刻技术,用于0.25μm以下图形的超精细加工。本文叙述了它的原理、相关技术的开发现状和工艺应用。     

Direct atomic scale analysis of the distribution of Cu valence states in Cu/γ-Al2O3 catalysts

In this paper, the microstructure of a 1 wt.% Cu/γ-Al₂O₃ catalyst that was reduced in a 4% hydrogen/argon atmosphere at temperatures of 523, 773 and 1073 K, is studied by Z-contrast imaging and electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM). Results show that the copper species are well dispersed when the catalyst is reduced below 523 K. At 773 K, separated Cu(I) and Cu(0) species are found existing as ring-like and bulk-like particles. This appears to indicate that the copper has not been reduced to its metallic form due to the interaction between the copper oxide and the support. Large spherical particles having core-shell structures with Cu(I) in the shells and Cu(0) in the cores are generated when the catalyst is reduced at 1073 K. The formation of partially oxidized copper species upon reduction at 1073 K is attributed to the metallic copper interaction with the alumina support. This study also demonstrates that high-spatial resolution Z-contrast imaging and EELS performed simultaneously can provide unique information on the morphology and chemistry of metal species in supported metal catalysts.     

Enthalpic relaxation in semi-crystalline PEEK

The effect of crystallisation on the glass transition temperature and enthalpic relaxation in poly(ether ether ketone) (PEEK) has been investigated. The increase in glass transition temperature and the activation enthalpy of ageing is explained in terms of the amorphous phase being constrained by the crystallites. The extent of enthalpic relaxation with time has been analysed in terms of the Cowie-Ferguson model and the β value was found to be dependent on both temperature and the crystalline morphology, changes in the co-operativity of the relaxations are used to explain this observation.     

用分步沉积法去除Nb(OH)5/Ta(OH)5中Ti,Sb等金属杂质的工艺研究

从理论和实践应用方面，研究了在不同活性金属离子存在的条件下控制pH值，应用分步沉积的方法去除Nb(OH)5/Ta(OH)5中某些金属杂质。在一定温度下，可在不影响Nb(OH)5/Ta(OH)5沉积的条件下，达到有效去除Ti，Sb，Sn，Al，Fe等杂质元素的目的。     

MLS结构的电容-电压特性

本文报导在 Si 衬底上拉制聚酰胺 LB 膜的电容-电压特性,结果表明:它具有与其它绝缘膜相似的特性,为聚酰胺 LB 膜应用于场效应器件奠定了基础。