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     

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。     

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。     

网络技术在中州分公司计量管理工作中的应用探讨

本文通过对中州分公司正在考虑建设的信息网建设实际情况，结合山东分公司、广西分公司取得的经验，对计量管理信息网的应用进行了探讨。     

燃气红外线辐射器的节能与环保特性分析

论述了燃气红外线辐射器的基本原理 ,对其节能与环保特性的分析表明 :与大气式燃烧器相比 ,红外线辐射器的燃料节约率为 15 %～ 45 % ,CO2 排放量减少率为 15 %～ 48% ,CO排放量减少率为 96.2 %～ 97.7% ,NOx 减少率为 94.9%～ 96.9% ,具有显著的节能与环保效果     

电力设计的节电途径

简要介绍了电能作为一种重要的能源在国民经济建设中的重要性和电力设计的几种节电途径。     

XPS studies of directly fluorinated HDPE: problems and solutions

X-ray photoelectron spectroscopy (XPS) applied to the study of fluorinated polymer surfaces presents several problems related both to peak assignment and to degradation. In this work, we analyse extensively the question of XPS peak assignments in this kind of surfaces. We conclude that in this kind of surfaces using binding energy differences between fluorine and carbon is better than using absolute binding energies. Also a useful relation between fluorine photoelectron energy vs. polymer composition expressed through the atomic ratio fluorine/carbon (F/C) was found. A protocol for data treatment is proposed and applied to a XPS study of the degradation induced by X-ray on high-density polyethylene surfaces modified by direct fluorination. Results obtained for the degradation, namely the atomic ratio F/C obtained by two different methods, combined with angle resolved X-ray photoelectron spectroscopy (ARXPS) were used to study the fluorine concentration profile in depth, producing self-consistent results.