为什么水在金属表面的吸附构型是倾斜的——水在铜、铝表面吸附的量子化学计算

用量子化学从头算方法,分别以原子簇Ｃｕ５、Ａｌ４、Ａｌ１０模拟Ｃｕ（１００）和Ａｌ（１１１）表面,在不同基组水平上,计算了水在两种金属表面上倾斜吸附的热能面,结果表明：当计算基组中不含氧原子的ｄ轨道时,得到水分子在金属垂直吸附的构型,这与实验结果不符;当水中氧原子加极化函数时,水分子倾斜吸附时能量较低,得到与实验相符的吸附构型。这说明水中氧原子ｄ轨道在计算中起着关键作用,在成键过程中有着重要影响。     

Influence of cesium on the stability of a GaAs photocathode

The stability of a reflection-mode GaAs photocathode has been investigated by monitoring the photocurrent and the spectral response at room temperature.We observe the photocurrent of the cathode decaying with time in the vacuum system under the action of Cs current,and find that the Cs atoms residing in the vacuum system are helpful in prolonging the life of the cathode.We examine the evolution and analyse the influence of the barrier on the spectral response of the cathode.Our results support the double dipolar model for the explanation of the negative electron affinity effect.     

任意相位差条纹信号细分方法的研究

为消除传统细分方法中由于两路条纹信号不正交引入的细分误差，提出了一种可对任意相位差条纹信号直接细分的新方法。根据两路条纹信号的极性和幅值大小，把一个信号周期分成8个区段。高速采集两路条纹信号，通过判断信号采样点所处的区段是否跳变对信号幅值交点进行动态跟踪。对不足一个周期的条纹移动，当测量出起点与终点的幅值，计算出其所在的区段及位置后，结合两路信号的交点，可实现对任意相位差条纹信号的细分。实验结果表明，该方法突破了传统细分方法必须信号正交的限制，可对任意相位差信号进行准确地细分，降低了条纹测量中器件安装与调试的难度，具有更强的环境适应性和抗干扰能力。     

MOS结构电离辐射效应模型研究

基于氧化层空穴俘获和质子诱导界面陷阱电荷形成物理机制的分析,分别建立了MOS结构电离辐射诱导氧化层陷阱电荷密度、界面陷阱电荷密度与辐射剂量相关性的物理模型.由模型可以得到,在低剂量辐照条件下辐射诱导产生的两种陷阱电荷密度与辐射剂量成线性关系,在中到高辐射剂量下诱导陷阱电荷密度趋于饱和,模型可以很好地描述这两种陷阱电荷与辐射剂量之间的关系.最后讨论了低剂量辐照下,两种辐射诱导陷阱电荷密度之间的关系,认为低辐射剂量下两者存在线性关系,并用实验验证了理论模型的正确性.该模型为辐射环境下MOS器件辐射损伤提供了更 关键词： MOS结构 辐射 界面陷阱 氧化层陷阱     

面心立方晶体外延膜沉积生长中失配位错的结构与形成过程

用分子动力学方法对5%负失配条件下面心立方晶体铝薄膜的原子沉积外延生长进行了三维模拟.铝原子间的相互作用采用嵌入原子法(EAM)多体势计算.模拟结果再现了失配位错的形成现象.分析表明，失配位错在形成之初即呈现为Shockley扩展位错，即由两个伯格斯矢量为〈211〉/6的部分位错和其间的堆垛层错组成，两个部分位错的间距、即层错宽度为1.8 nm,与理论计算结果一致；外延晶体薄膜沉积生长中，位错对会发生滑移，但其间距保持稳定.进一步观察发现，该扩展位错产生于一种类似于“局部熔融-重结晶”的表层局部无序紊乱- 关键词： 失配位错 外延生长 薄膜 分子动力学 铝     

Study on the flow resistance of the dispersion system of deformable preformed particle gel in porous media using LBM-DEM-IMB method

After being injected into the porous media, the dispersion system of preformed particle gel (PPG) tends to enter high permeability regions and block water channeling passages, which forces the subsequent water to turn to the low permeability regions and thus increases sweep efficiency and enhances oil recovery. However, it is still unclear about the influence factors and the mechanisms how PPG increases water flow resistance, which limits the application of PPG in more oilfields. Therefore, the paper combines the lattice Boltzmann method (LBM), the discrete element method (DEM) and the improved immersed moving boundary (IMB) method to simulate the migration of deformable PPG in porous media. On the basis, the paper quantitatively analyzes the variation law of displacement pressure across the porous media and discusses the influence factors such as the PPG diameter, elasticity modulus and the number concentration. Results indicate that, because of the friction and retention of PPG in pore-throat, the displacement pressure across the porous media during PPG flooding is much higher than that during water flooding. In other words, the existence of PPG increases the flow resistance of injected water. Besides, the displacement pressure is always fluctuant resulting from the continuous process of PPG migration, retention, deformation and remigration. Influence factor analysis shows that the incremental value and fluctuation degree of flow resistance increase with the PPG diameter, elasticity modulus and the number concentration. The study not only provides useful reference for future PPG flooding, but also benefits the development of deformable particle flow theory.     

Rapid determination of 90Sr in urine samples using AnaLig® Sr-01

This paper describes the use of IBC’s AnaLig^® Sr-01 molecular recognition technology product to effectively and selectively pre-concentrate, separate, and recover strontium from urine samples. This method uses two-stage columns separation consisting of two different commercial products Eichrom’s Pre-filter Material and AnaLig^® Sr-01 column from IBC Advanced Technologies. This method does not involve co-precipitation of strontium as phosphates and oxalates from urine samples. The new rapid method separates strontium-90 with high chemical recovery.     

Anionic surfactant selective electrode for the titrimetric determination of anionic surfactant

The construction and characteristic performance of a PVC membrane electrode responsive for sodium dodecylsulfate (SDS) are described in this paper. The electrode based on CTA⁺DS^? ion pair as ionophore in PVC membrane displays a Nernstian slope of ?58.8 ± 0.7 mV/decade in a 1.32 × 10^?6 to 3.75 × 10^?3 mol L^?1 concentration range and a limit of detection of 1.13 × 10^?6 mol L^?1. The electrode can be used for 3 months without showing significant changes in the value of slope or working range. The electrode has been utilized as an end point indicator electrode for potentiometric titration involving Hyamine as titrant. More than 100 titrations were carried out for the evaluation of the electrode parameters: the standard deviations of the equivalent volume and the equivalent potential, the height of the potential jump and the number of faulty titrations. The behavior of the electrode was assessed with regard to their usefulness in routine analysis.     

Synthesis of 5-Thio-D- Galactopyranose

5-Thio-D-galactopyranose has been synthesized from diacetone galactofuranose in nine steps and 13.4% overall yield. The key step involved a successful conversion of furanosyl 5,6-epoxide with an L-altrose configuration into the corresponding 5,6-thiirane D-galactose derivative, which was hydrolyzed to the target compound.