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Non-linear density functional theory: A direct method to calculate many-electron charge densities

Werner A. Hofer、Krisztian Palotas2005-10-25arXiv

We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and numerical. Conceptually, it allows to formulate a physical principle for the development…

Materials ScienceStrongly Correlated Electrons

Suppressed magnetization inLa0.7Ca0.3MnO3∕YBa2Cu3O7−δsuperlattices

Axel Hoffmann、S. G. E. te Velthuis、Z. Sefrioui 等 7 位作者2005-10-25Physical Review B

We studied the magnetic properties of ${\mathrm{La}}_{0.7}{\mathrm{Ca}}_{0.3}{\mathrm{MnO}}_{3}∕{\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{7\ensuremath{-}\ensuremath{\delta}}$ superlattices. Magnetometry showed that with increasing ${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{7\ensuremath{-}\ensuremath{\del…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Achieving High-Current Carbon Nanotube Emitters

E. Minoux、Oliver Groening、Kenneth B. K. Teo 等 12 位作者2005-10-25Nano Letters

When a carbon nanotube emitter is operated at high currents (typically above 1 microA per emitter), a small voltage drop ( approximately few volts) along its length or at its contact generates a reverse/canceling electric field that causes a saturation-like deviation from the classical Fowler-Nordheim behavior with re…

Carbon Nanotubes in CompositesGraphene research and applicationsDiamond and Carbon-based Materials Research

Appearance of room-temperature ferromagnetism in Cu-dopedTiO2−δfilms

S. Duhalde、M.F Vignolo、F. Golmar 等 10 位作者2005-10-25Physical Review B

We report here the unexpected observation of significant room-temperature ferromagnetism in a semiconductor doped with nonmagnetic impurities, Cu-doped ${\mathrm{TiO}}_{2}$ thin films grown by pulsed laser deposition. The magnetic moment, calculated from the magnetization curves, resulted surprisingly large, about $1.…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

Plasmonic Sensing Characteristics of Single Nanometric Holes

Tomas Rindzevicius、Yury Alaverdyan、Andreas Dahlin 等 6 位作者2005-10-25Nano Letters

The optical response of isolated holes in 20 nm thin gold is probed as a function of alkanethiol CH(3)(CH2)x SH (x epsilon in 1-15) and protein adsorption using dark-field spectroscopy. We establish that the plasmon excitations of single and short-range ordered 60 nm holes exhibit similar E-field decay lengths delta a…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesPlasmonic and Surface Plasmon Research

Large‐Scale Nonhydrolytic Sol–Gel Synthesis of Uniform‐Sized Ceria Nanocrystals with Spherical, Wire, and Tadpole Shapes

Taekyung Yu、Jin Joo、Yong Il Park 等 4 位作者2005-10-25Angewandte Chemie International Edition

Spawning nanostructures: Uniform-sized ceria nanocrystals with sphere, wire, and tadpole shapes were synthesized from the nonhydrolytic sol–gel reaction of cerium(III) nitrate and diphenyl ether in the presence of appropriate surfactants. The picture shows a TEM image of a batch of tadpole-shaped nanowires (bottom lef…

Catalytic Processes in Materials ScienceCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Stable Biomimetic Super-Hydrophobic Engineering Materials

Zhiguang Guo、Feng Zhou、Jingcheng Hao 等 4 位作者2005-10-25OpenAlex

We describe a simple and inexpensive method to produce super-hydrophobic surfaces on aluminum and its alloy by oxidation and chemical modification. Water or aqueous solutions (pH = 1-14) have contact angles of 168 +/- 2 and 161 +/- 2 degrees on the treated surfaces of Al and Al alloy, respectively. The super-hydrophob…

Surface Modification and SuperhydrophobicityPolymer Surface Interaction StudiesAdhesion, Friction, and Surface Interactions

Smooth Anodic TiO2 Nanotubes

Jan M. Macák、Hiroaki Tsuchiya、Luciano Taveira 等 5 位作者2005-10-25OpenAlex

Smooth results with glycerol: A highly viscous glycerol electrolyte suppresses local concentration fluctuations and changes in pH during the anodization of titanium. This leads to layers of smooth TiO2 nanotubes up to 7 μm thick and with an average pore diameter of 40 nm (see transmission electron micrograph).

TiO2 Photocatalysis and Solar CellsAnalytical Chemistry and SensorsAnodic Oxide Films and Nanostructures

Industrial installation for voltage-on space charge measurements in HVDC cables

J. Castellon、P. Notingher、S. Agnel 等 8 位作者2005-10-24OpenAlex

This work is concerned with a facility for characterizing the insulation of power cables whilst submitted to high dc voltage. The presented tool allows to measure the real distribution of the electric field in the cable insulation, which can be significantly different from the capacitive (Laplace) field repartition, a…

High voltage insulation and dielectric phenomenaLightning and Electromagnetic PhenomenaThermal Analysis in Power Transmission

Effect of sintering temperature on formation and thermoelectric properties of La0.4Ni0.4Co3.6Sb12skutterudite by mechanical alloying and hot pressing

Junyou Yang、Yuehua Chen、Wen Zhu 等 6 位作者2005-10-24Journal of Physics D Applied Physics

In this work, La 0.4 Ni 0.4 Co 3.6 Sb 12 filled skutterudite was prepared successfully by mechanical alloying (MA) and subsequent hot pressing. With increasing hot press (HP) temperature, the content of the filled skutterudite phase increases and its composition tends to the nominal composition; a single phase filled…

Advanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materialsThermodynamic and Structural Properties of Metals and Alloys

Numerical models for planar solid oxide fuel cells

Steven Beale2005-10-24WIT transactions on state-of-the-art in science and engineering

Welcome to the WIT Press eLibrary - the home of the Transactions of the Wessex Institute collection, providing on-line access to papers presented at the Institute's prestigious international conferences and from its State-of-the-Art in Science & Engineering publications.

Advancements in Solid Oxide Fuel CellsPhase Equilibria and ThermodynamicsCatalysis and Oxidation Reactions

Porod scattering study of coarsening in immiscible polymer blends

Kristin Brinker、Andrew H. Lebovitz、John M. Torkelson 等 4 位作者2005-10-24Journal of Polymer Science Part B Polymer Physics

Abstract Studies of immiscible blend compatibilization often involve laborious microscopy methods to characterize changes in the particle size distribution with time in the melt. Here we explore a simple alternative approach based on Porod scattering from the two‐phase structure. Although micron‐sized particles in imm…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesBlock Copolymer Self-Assembly

Nitrogen Selectivity in Lean NOx Trap Catalysis with Diesel Engine In-Cylinder Regeneration

Jim Parks、Shean Huff、Josh A. Pihl 等 5 位作者2005-10-24SAE technical papers on CD-ROM/SAE technical paper series

<div class="htmlview paragraph">NOx emissions have traditionally been difficult to control from diesel engines; however, lean NOx trap catalysts have been shown to reduce NOx emissions from diesel engines by greater than 90% under some conditions. It is imperative that lean NOx traps be highly selective to N<…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Thermoluminescence and optically stimulated luminescence properties of nanocrystalline Er3+and Yb3+doped Y3Al5O12exposed to β-rays

R.A. Rodrı́guez、E. De la Rosa、P. Salas 等 5 位作者2005-10-24Journal of Physics D Applied Physics

Thermoluminescence and optically stimulated luminescence properties of nanocrystalline Er3+ and Yb3+ doped Y3Al5O12 exposed to β-rays, Rodríguez, R A, De la Rosa, E, Salas, P, Meléndrez, R, Barboza-Flores, M

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

Experimental Investigation of Transient Emissions (HC and NOx) in a High Speed Direct Injection (HSDI) Diesel Engine

Hyungsuk Kang、Patrick V. Farrell2005-10-24SAE technical papers on CD-ROM/SAE technical paper series

<div class="htmlview paragraph">Transient engine tests were performed to investigate behavior of transient emissions--hydrocarbon (HC) and oxides of Nitrogen (NOx)--in a 2.4L turbocharged four cylinder High Speed Direct Injection (HSDI) diesel engine which is coupled to a hydrostatic transient dynamometer. Emiss…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsIndustrial Gas Emission Control

Frequency-selective detection of nuclear quadrupole resonance signals

Andreas Jakobsson、Magnus Mossberg、Michael Rowe 等 4 位作者2005-10-24IEEE Transactions on Geoscience and Remote Sensing

Nuclear quadrupole resonance (NQR) offers an unequivocal method of detecting and identifying both hidden explosives, such as land mines, and a variety of narcotics. Unfortunately, the practical use of NQR is restricted by a low signal-to-noise ratio (SNR), and means to improve the SNR are vital to enable a rapid, reli…

Terahertz technology and applicationsAcoustic Wave Resonator TechnologiesSolid-state spectroscopy and crystallography

Synthesis, crystal structure, magnetic properties and theoretical studies on a one-dimensional polynuclear copper( ii ) complex [Cu 2 (μ 1,3 -SCN) 2 (μ′ 1,3 -SCN) 2 (MPyO) 2 ] n

Jing-Min Shi、You‐Min Sun、Zhe Liu 等 6 位作者2005-10-24Dalton Transactions

A new one-dimensional polynuclear copper(II) complex [Cu(2)(mu(1,3)-SCN)(2)(mu'(1,3)-SCN)(2)(MPyO)(2)](n)(where MPyO = 4-methylpyridine N-oxide) has been synthesized and its crystal structure determined by X-ray crystallography. In the complex there exist two kinds of bridging coordination modes, namely, mu(1,3)-SCN(-…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

ASME Section III Design-By-Analysis Criteria Concepts and Stress Limits

Gerry C. Slagis2005-10-24Journal of Pressure Vessel Technology

The ASME Section III design-by-analysis approach provides stress criteria for the design of nuclear components. Stresses are calculated elastically for the most part, although plastic analysis is recognized. Limits are specified for primary, secondary, and peak stresses. Inherent in these limits are factors of safety…

Nuclear reactor physics and engineeringNuclear Materials and PropertiesGraphite, nuclear technology, radiation studies

Electron conditioning of technical aluminium surfaces: Effect on the secondary electron yield

F. Le Pimpec、R. E. Kirby、F. K. King 等 4 位作者2005-10-24Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

The effect of electron conditioning on commercially available aluminium alloys 1100 and 6063 was investigated. Contrary to the assumption that electron conditioning, if performed long enough, can reduce and stabilize the secondary electron yield (SEY) to low values (⩽1.3, the value for many pure elements), the SEY of…

Corrosion Behavior and InhibitionAdvancements in Photolithography TechniquesElectron and X-Ray Spectroscopy Techniques

Effect of pressure on single-chain magnets with repeating units of theMnIII−NiII−MnIIItrimer

Masaki Mito、Hiroyuki Deguchi、Takayuki Tajiri 等 6 位作者2005-10-24Physical Review B

The single-chain magnet (SCM) system $[{\mathrm{Mn}}_{2}{(\text{saltmen})}_{2}\mathrm{Ni}{(\mathrm{pao})}_{2}{(\mathrm{L})}_{2}]{(\mathrm{A})}_{2}$ (L: intrachain attaching ligand of ${\mathrm{Ni}}^{II}$ ion; ${\mathrm{A}}^{\ensuremath{-}1}$: interchain counteranion) is a ferromagnetic one-dimensional network system w…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies