Structure and formation energy of steps on the GaAs(001)-2 × 4 surface

The energies of various steps on the As-terminated GaAs(001)-2 × 4 surface are evaluated using a novel, approximate method of “linear combination of structural motifs”. It is based on the observation that previous total energy minimizations of semiconductor surfaces produced invariably equilibrium structures made of the same recurring local structural motifs, e.g. tetrahedral fourfold Ga, pyramidal threefold As, etc. Furthermore, such surface structures were found to obey consistently the octet rules as applied to the local motifs. We thus express the total energy of a given semiconductor surface as a sum of (i) the energies _M of the local structural motifs appearing in the surface under consideration and (ii) an electrostatic term representing the Madelung energy of point charges resulting from application of the octet rule. The motif energies are derived from a set of pseudopotential total energy calculations for flat GaAs(001) surfaces and for point defects in bulk GaAs. This set of parameters suffices to reproduce the energies of other (001) surfaces, calculated using the same pseudopotential total energy approach. Application to GaAs(001)-2 × 4 surfaces with steps reveals the following. (i) “Primitive steps”, defined solely according to their geometries (i.e. step heights, widths and orientations) are often unstable. (ii) Additional, non-geometric factors beyond step geometries such as addition of surface adatoms, creation of vacancies and atomic rebonding at step edges are important to lower step energies. So is step-step interaction. (iii) The formation of steps is generally endothermic. (iv) The formation of steps with edges parallel to the direction of surface As dimers (A steps) is energetically favored over the formation of steps whose edges are perpendicular to the As dimers (B steps).     

SJT-B助剂/表面活性剂/聚合物三元复合体系的黏度和界面张力研究

助剂SJT-B是10%的磷硅酸盐胶体溶液,含有Na^＋和K^＋、SiO3^2-和PO4^3-等离子,在活化状态下一部分SiO3^2-和PO4^3-生成具5个负电荷的聚磷硅酸根链状阴离子,后者可结合Ca^2＋、Mg^2＋而形成纳米磷硅酸盐胶态粒子,避免结垢并防止金属腐蚀。以助剂SJT-B代替NaOH,用大庆油田回注污水配制SJT-B/烷基苯磺酸盐/聚合物三元复合溶液,取SJT-B浓度为1.0-8.0 g/kg,石油磺酸盐浓度为0.5-4.0 g/kg,聚合物浓度为1.2 g/kg,按排列组合法得到25个实验配方。对照NaOH/石油磺酸盐/聚合物溶液组成为12/3.0/1.2 g/kg,初配黏度（45℃,7.34s^-1）27.3 mPa·s,界面张力（45℃）3.20×10^-3mN/m。初配各实验配方溶液黏度31.2-44.8 mPa·s,45℃老化30天后黏度降低率2.71%-36.97%;初始界面张力最低值1.13×10^-3mN/m,最高值4.34×10^-2mN/m,在界面活性图上,10^-3mN/m超低界面张力区出现在高SJT-B和烷基苯磺酸盐区,老化后该区扩大。筛选出的SJT-B/石油磺酸盐/聚合物体系组成为4.0/3.0/1.2 g/kg,其初始黏度为37.1 mPa·s,老化后黏度降低3.77%,初始界面张力1.79×10^-2mN/m。图2表3参8。     

多绳摩擦提升机提升钢丝绳张力平衡问题分析

对张力自动平衡问题进行分析,结合张力不平衡的力学分析探讨提升钢丝绳张力平衡问题。且对一种张力自动平衡悬挂装置的结构、原理、特点进行介绍,了解张力平衡的总的特点和性能。     

Hydrothermal synthesis and in situ surface modification of boehmite nanoparticles in supercritical water

In situ surface modification of boehmite (AlOOH) nanoparticles during hydrothermal synthesis in supercritical water was examined by adding CH₃(CH₂)₄CHO and CH₃(CH₂)₅NH₂ as modifier reagents to the reactants. Changes in surface properties of the nanoparticles by surface modification was observed by FTIR, dispersion in solvents and TEM analyses, which demonstrated that reagents chemically binded onto the surface of the AlOOH nanoparticles. The results of SEM and TEM pictures show that the surface modification affects crystal growth and reduces the particle size and changes the morphology of the particles.     

New concept of surface modification to LiCoO2

As the continuance of our series study on LiCoO₂ surface modification, the complicated traditional surface coating method is replaced with simple addition of amorphous YPO₄ and Al₂O₃ in commercial LiCoO₂ or in commercial electrolyte based on our understanding to the improvement mechanism of surface modification. Comprehensive studies by X-ray photoelectron spectroscopy (XPS), gas chromatography and mass spectroscopy (GC–MS), inductively coupled plasma (ICP) and Fourier transformed infrared (FTIR) indicate that the products of spontaneous reaction between the additive and the LiPF₆ based electrolyte are responsible for the performance improvements.     

Studies on nucleation kinetics of InxGa1−xN/GaN heterostructures

Nucleation kinetics during the growth of In_xGa_1−xN on a GaN substrate have been studied. The behavior of nonequilibrium between the In_xGa_1−xN and the GaN substrate has been analyzed, and hence, the expression derived for the stress-induced supercooling/superheating has been numerically evaluated. The maximum amount of stress-induced supercooling is found to be 1.017 K at x=0.12. These values are incorporated in the classical heterogeneous nucleation theory. Using the regular solution model, the interfacial tension between the nucleus and substrate and, hence, the interfacial tension between nucleus and mother phase and thermodynamical potential of the compounds have been calculated. The amount of driving force available for the nucleation has been determined for different compositions and degrees of supercooling. It has been shown that the value of the interaction parameter of InN-GaN plays a dominant role in nucleation and growth kinetics of In_xGa_1−xN on a GaN substrate. These values have been used to evaluate the nucleation parameters. It is shown that the nucleation barrier for the formation of a In_xGa_1−xN nucleus on a GaN substrate is minimum in the range of x=0.12 to x=0.17, and it has been qualitatively proved that good quality In_xGa_1−xN on GaN can be grown only in the range 0<x≤0.2.     

钢纤维混凝土轴拉应力-应变特性的试验研究

本文采用环氧粘接法对4种纤维混凝土材料进行了轴向拉伸试验，成功地获得了材料的应力-应变全曲线。根据其试验曲线是否出现第二峰值，把纤维分为增强与增韧两大类。通过分析表明：不同的纤维形式对混凝土材料的作用机理有较大的差异。在工程应用中，应根据纤维混凝土材料的用途来选择纤维类型。     

Synthesis and surface properties of novel fluoroalkyl end-capped amphiphilic fullerene cooligomers

New fluoroalkyl end-capped fullerene cooligomers were prepared by the reactions of fluoroalkanoyl peroxides with fullerene and comonomers such as acryloylmorpholine, N,N-dimethylacrylamide and acrylic acid. These fluorinated fullerene cooligomers were easily soluble in water and common organic solvents, and were able to reduce the surface tensions of both water and benzene, quite effectively. Additionally, these fullerene cooligomers were found to form a stable monomolecular film at the air-water interface, and the modified polystyrene surface treated with these cooligomers was shown to have a strong hydrophilicity with good oil repellency.     

The preparation and properties of coprecipitated Cu–Zr–Y and Cu–Zr–La catalysts used for the steam reforming of methanol

Several samples of exhaust diesel soot are investigated by inverse gas chromatography and linear solvation energy relationship (LSER) modelling according to their soluble organic fraction content and their time of exposure in oxidative conditions. The results demonstrate the evolution of the adsorptive properties of the studied materials towards volatile compounds during the oxidation under NO₂.     

Modeling Condensation and Evaporation on Fruit Surface

Rewarming of fruits and vegetables after cooling is characterized by heat and mass transfer processes, which leads commonly to condensation of water on the produce surface at temperatures below the dew point. This effect may affect the produce quality due to microbial growth at unfavorable environmental conditions. The amount of condensed water is a function of the produce surface temperature and of the surrounding conditions as air temperature, air humidity, and air flow. Under practical conditions, both the warming and the condensation are strongly affected by the packaging system used. Depending on the flow conditions close to the produce surface, parameters of heat and mass transfer under laboratory conditions were measured. A mathematical model was developed for the determination of the amount of condensed water on fruit surfaces, its reevaporation, and its total dwell time dependent on the environment air conditions. The model describes the heat and mass transfer processes on single fruits. The process of diffusion of humidity in air and proceed of surface temperature is the basis for the model.