Describing metal surfaces and nanostructures with orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) can be made to scale linearly with sample size, allowing thousands of atoms to be treated explicitly with quantum mechanics. State-of-the-art kinetic energy density functionals and ion–electron pseudopotentials are used to obtain accurate structural property predictions for nanoparticles, nanowires, extended surfaces, and nanoindentation of simple metals.     

取水泵站调速运行的节能效果比较

对取水泵站水泵部分调速运行和全部调速运行在水源枯水位、常水位及洪水位时的节能效果进行了分析比较 ,并给出了结论     

（Ba1-xSrx）（Zn1/3Nb2/3）O3微波介质陶瓷温度系数的异常

研究了（Ba1-xSrx）（Zn1/3Nb2/3）O3微波介质陶瓷温度系数的非线性变化以及异常的原因。根据CM公式，随着系统中Sr（Zn1/3Nb2/3）O3的增多，τc的异常是由于氧八面体的畸变导致的相转变（对称性降低）所造成的（晶体结构由无序立方相向有序赝立方相的连续变化）。相转变的发生相应影响了极化以及极化模式，这是造成τc异常的根本原因。     

节能降耗提高矿山效益

节能降耗是每一个矿山提高经济效益的有效途径。我们采取提高球磨机处理能力，降低单耗；利用“分时计价”政策，采用“避峰作业”；使用新设备等措施节能降耗，提高矿山经济效益。     

An investigation of the relation between the temperature dependences of the initial unbalance and the output signal of resistance strain sensor bridge circuits

The relation between the initial unbalance and the output signal of bridge circuits when acted upon simultaneously by the physical factor being measured and the temperature of the surroundings when the bridge is supplied from a voltage or current source is investigated. Analytic relations are obtained which explain the temperature dependence of the useful output voltage under external physical action. __________ Translated from Izmeritel’naya Tekhnika, No. 1, pp. 48–49, 2007.     

Model for Nanoscopic Domain Formation in Dipalmitoyl-PC/Dilauroyl-PC/Cholesterol Mixture

We describe the lyotropic liquid crystalline phase transitions in the lipid mixture dipalmitoil-PC/dilauroy-PC/cholesterol by 3D spin-1 lattice model. The formation of nanoscale domains with the characteristic size about 300 nm was studied in experiments on confocal fluorescence microscopy (CFM) (G. V. Feigenson and J. T. Buboltz, Biophys. J. 80, 2775 (2001)). The structure parameters of the lamellar vesicle in dipalmitoil-PC-rich phase, corresponding to these regions, are verified by numerical Monte Carlo simulations on the lattice. We point its superconductivity analogy properties at the region of phase stability for composition-dependent nanoscopic region.     

Strategic appraisal of energy models for Mozambique

The needs that an energy supply system must meet are constantly changing, due to technological, social and political reasons. Effective energy planning is a dynamic process that is repeated periodically and adjusts to changing conditions. Energy decision makers and planners are no longer able to rely on inductive decision making since they have to investigate the effect of various decision parameters and possible future changes. To help in this process, models have been developed where estimates of future load growth, candidate power plants, fuels and other key factors can be introduced, from which the planners can evaluate decision parameters and the available alternatives. The paper presents the different methodologies and practices that are used by 11 energy models for energy demand forecasting, supply side management and generation expansion planning, demand side management and integrated resource planning. The paper concludes to the presentation of a strategic appraisal of the examined energy models appropriate for energy planning in Mozambique. Three models are proposed for conducting demand forecasting, generation expansion planning and demand side management. Copyright © 2002 John Wiley & Sons, Ltd.     

链条锅炉的节能改造

本文针对株洲硬质合金厂SHL20—13—AII型20t蒸汽链条锅炉存在的问题，进行了节能改造，取得了显著的成效。     

Rolling and Lifting Probabilities for Sediment Entrainment

This study addresses the rolling and lifting probabilities for sediment entrainment by incorporating the probabilistic features of the turbulent fluctuation and bed grain geometry. The lognormally distributed instantaneous velocity and uniformly distributed initial grain position, along with a relation between lift coefficient and particle Reynolds number, are used to extend the theoretical formulation of the entrainment probabilities in smooth-bed flows. The two threshold conditions identified herein enable us to precisely define the probabilities of entrainment in the rolling and lifting modes. The results obtained in this study coincide well with the published data. The lifting probability increases monotonously with the dimensionless shear stress θ, which is consistent with the earlier results yet displays improved agreement with the experimental data. The maximum value of rolling probability, with a magnitude of 0.25, occurs at θ ≈ 0.15. For θ<0.05 (or θ>0.6), the rolling (or lifting) probability makes up more than 90% of the total entrainment probability and thus can be used as an approximation to the total probability of entrainment. The proposed rolling and lifting probabilities are further linked to the two separate criteria for incipient motion to explore the critical entrainment probabilities. The results reveal that a consistent probability corresponding to the critical state of sediment entrainment cannot be found.     

2-巯基苯并噻唑衍生物摩擦学性能的研究

合成了S—(1—(2—苯并噻唑基巯基)—2—羟基)—丙基N，N—二烷基二硫代氨基甲酸酯和S—(1—(2—苯并噻唑基巯基)—2—乙酰基)—丙基N，N—二烷基二硫代氨基甲酸酯两种化合物。运用IR、MS、HNMR和元素分析等分析方法对其结构进行表征。用四球试验、HQ—l环块试验分别考察了其对润滑油的极压承载能力及抗磨减摩性能的影响。结果表明：在350SN中性油中添加所合成的化合物后可以显著降低四球长磨后磨斑直径、有效地降低摩擦副之间的摩擦系数，拥有优良的摩擦学性能。