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Accurate computation of shear viscosity from equilibrium molecular dynamics simulations

D. Nevins、Frank J. Spera2007-12-01Molecular Simulation

The accuracy of the Green–Kubo formulation for computing shear viscosity from equilibrium molecular dynamics simulations depends on the quality of the potential and on how the viscosity computation is carried out. We examine the role of the duration of the simulation, the number of particles used, and how the correlat…

Theoretical and Computational PhysicsMicrostructure and mechanical propertiesMaterial Dynamics and Properties

Fluorescent-Magnetic Hybrid Nanostructures: Preparation, Properties, and Applications in Biology

Alessandra Quarta、Riccardo Di Corato、Liberato Manna 等 5 位作者2007-12-01IEEE Transactions on NanoBioscience

Research on nanocomposite materials aims at developing nanoscale composites with innovative optical, chemical, and magnetic properties, all combined in one single nanostructure. In this scenario, nanostructures which show simultaneously fluorescent and magnetic features are of particular interest for pharmaceutical an…

Advanced biosensing and bioanalysis techniquesQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Implementation of a Hamiliton-Receptor-Based Hydrogen-Bonding Motif toward a New Electron Donor−Acceptor Prototype: Electron versus Energy Transfer

Florian Wessendorf、Jan-Frederik Gnichwitz、Ginka H. Sarova 等 7 位作者2007-12-01Journal of the American Chemical Society

A new modular concept for the self-assembly of electron donor-acceptor complexes is presented that ensures (i) fine-tuning the strength of the complexation, (ii) controlling the electronic coupling to impact electron and energy transfer processes, and (iii) high solubility of the corresponding hybrid architectures. Th…

Synthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsPorphyrin and Phthalocyanine Chemistry

Technical Development on Partial Discharge Measurement and Electrical Insulation Techniques for Low Voltage Motors Driven by Voltage Inverters

Hitoshi Okubo、Naoki Hayakawa、G Montanari2007-12-01IEEE Transactions on Dielectrics and Electrical Insulation

This paper reviews the up-to-date research activities on electrical insulation techniques under repetitive surge voltages with steep wavefront for low voltage inverter-fed motors. Partial discharge (PD) inception, propagation, ageing and breakdown characteristics of magnet wires, including recently developed PD-resist…

High voltage insulation and dielectric phenomenaElectrostatic Discharge in ElectronicsLightning and Electromagnetic Phenomena

Raman and Infrared Spectroscopic Investigations on Aqueous Alkali Metal Phosphate Solutions and Density Functional Theory Calculations of Phosphate—Water Clusters

Wolfram W. Rudolph、G. Irmer2007-12-01Applied Spectroscopy

Phosphate (PO(4)(3-)) solutions in water and heavy water have been studied by Raman and infrared spectroscopy over a broad concentration range (0.0091-5.280 mol/L) including a hydrate melt at 23 degrees C. In the low wavenumber range, spectra in R-format have been constructed and the R normalization procedure has been…

Solid-state spectroscopy and crystallographyCrystal Structures and PropertiesChemical and Physical Properties in Aqueous Solutions

Dielectric Properties of Nanocomposites Based on Polystyrene and Polyhedral Oligomeric Phenethyl-Silsesquioxanes

Ning Hao、Martin Böhning、Andreas Schönhals2007-12-01Macromolecules

Nanocomposites were prepared by solution blending of polyhedral oligomeric silsesquioxane with phenethyl substituents (PhenethylPOSS) into polystyrene (PS). The prepared materials were investigated by dielectric spectroscopy, differential scanning calorimetry (DSC), and density measurements. Additional FTIR investigat…

Synthesis and properties of polymersPolymer Nanocomposites and PropertiesSilicone and Siloxane Chemistry

Compositional dependence of phase structure and electrical properties in (K0.42Na0.58)NbO3-LiSbO3 lead-free ceramics

Jiagang Wu、Dingquan Xiao、Yuanyu Wang 等 6 位作者2007-12-01Journal of Applied Physics

( 1 − x ) ( K 0.42 Na 0.58 ) NbO 3 - x LiSbO 3 [(1−x)KNN-xLS] lead-free piezoelectric ceramics were prepared by the conventional mixed oxide method. The compositional dependence of the phase structure and the electrical properties of the ceramics were studied. A morphotropic phase boundary (MPB) between the orthorhomb…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

Ambient-Temperature Metal-to-Ligand Charge-Transfer Phosphorescence Facilitated by Triarylboron: Bnpa and Its Metal Complexes

Shu‐Bin Zhao、Theresa MCormick、Suning Wang2007-12-01Inorganic Chemistry

A Cu(I) complex, 1, and a Pt(II) complex, 2a, of a triarylboron ligand, Bnpa, with bright ambient-temperature phosphorescence have been obtained. The phosphorescence of these complexes is highly sensitive toward molecular oxygen and has a distinct response to fluoride ions. For 1, the fluoride ion causes phosphorescen…

Organic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsOrganoboron and organosilicon chemistry

THE EFFECT OF OIL PALM FIBERS AS REINFORCEMENT ON TRIBOLOGICAL PERFORMANCE OF POLYESTER COMPOSITE

B.F. Yousif、N.S.M. El-Tayeb2007-12-01Surface Review and Letters

In the present work, the effect of oil palm fibers on tribological performance of polyester composite against a polished stainless steel counterface is investigated using a pin-on-disc machine. Wear and friction characteristics of oil palm fiber reinforced polyester (OPRP) composite and neat polyester were tested at d…

Mechanical Engineering and Vibrations ResearchTribology and Wear AnalysisNatural Fiber Reinforced Composites

Long term creep properties and microstructure of SUPER304H, TP347HFG and HR3C for A-USC boilers

A. Iseda、Hirokazu Okada、Hiroyuki Semba 等 4 位作者2007-12-01Energy Materials

SUPER304H (18Cr–9Ni–3Cu–Nb–N; ASME CC2328) and TP347HFG (18Cr–12Ni–Nb; ASME SA213) have been developed for high strength oxidation resistant steel tubes to operate at high steam temperatures and pressures. The longest creep rupture tests performed to date (600°C for 85 426 h for SUPER304H; 700°C for 55 858 h for TP347…

Subcritical and Supercritical Water ProcessesNuclear Materials and PropertiesHigh Temperature Alloys and Creep

Spin Accommodation and Reactivity of Aluminum Based Clusters with O2

Arthur C. Reber、Shiv N. Khanna、Patrick J. Roach 等 5 位作者2007-12-01Journal of the American Chemical Society

It is shown that spin accommodation plays a determining role in the reactivity of aluminum based anion clusters with oxygen. Experimental reactivity studies on aluminum and aluminum-hydrogen clusters show variable reactivity in even electron systems and rapid etching in odd electron systems. The reactivity of even ele…

Inorganic Chemistry and MaterialsAdvanced Chemical Physics StudiesCatalytic Processes in Materials Science

Root-Growth Mechanism for Single-Walled Boron Nitride Nanotubes in Laser Vaporization Technique

Raúl Arenal、Odile Stéphan、Jean-Lou Cochon 等 4 位作者2007-12-01Journal of the American Chemical Society

We present a detailed study of the growth mechanism of single-walled boron nitride nanotubes synthesized by laser vaporization, which is the unique route known to the synthesis of this kind of tube in high quantities. We have performed a nanometric chemical and structural characterization by transmission electron micr…

Boron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsDiamond and Carbon-based Materials Research

Hydration study of ordinary portland cement in the presence of zinc ions

Monica Adriana Trezza2007-12-01Materials Research

Hydration products of Portland cement pastes, hydrated in water and in the presence of zinc ions were studied comparatively at different ages. Hydration products were studied by X ray diffractions (XRD) and infrared spectroscopy (IR). Although IR is not frequently used in cement chemistry, it evidenced a new phase Ca(…

Degradation Processes in Corona-Charged Electret Filter-Media

Warren J. Jasper, Ph.D、Roger Barker, Ph.D.、Anushree Mohan 等 4 位作者2007-12-01Journal of Engineered Fibers and Fabrics

The degradation of filtration performance for coronachargedelectret filter media exposed to ethyl benzenewas assessed. Nonwoven corona-charged polypropylenefiber mats were exposed to ethyl-benzene using acustom made apparatus. Evaluated scenarios includedethyl-benzene vapor and liquid exposures. The filtrationperforma…

Carbon fibre-reinforced, alkali-activated slag mortars

J. S. Alcaide、E. G. Alcocel、F. Puertas 等 5 位作者2007-12-01Materiales de Construccion

The paper describes the effect of carbon fibre on alkaliactivated slag mortar (AAS) mechanical strength, volume stability and reinforcing steel corrosion, compared to its effect on the same properties in Portland cement (PC) properties. Mechanical strength and volume stability tests were performed as set out in the re…

Topological and metrical aspects of normal and abnormal grain growth

Paulo Rangel Rios、Martin Eden Glicksman2007-12-01Materials Research

Grain growth theories normally describe a grain using the concept of ‘grain radius’. However, this assumption bypasses all topological information relating to the grain, viz., the number of its faces, edges, etc. This study, by contrast, introduces a new methodology, treating normal and abnormal grain growth in three…

The effect of wanes on the bending strength of solid timber beams

F. Arriaga Martitegui、M. Esteban Herrero、R. Argüelles Álvarez 等 5 位作者2007-12-01Materiales de Construccion

A theoretical analysis is conducted to determine the effect of wanes on the bearing capacity of timber in light of the reduction they entail in cross-sectional area compared to fully rectangular sections. The concomitant loss of bending strength is likewise evaluated. Parallel tests are run on 84 samples —51 with wane…

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作者信息未提供2007-12-01Science and Engineering of Composite Materials

Adsorption of ions onto treated natural zeolite

Cristiane da Rosa Oliveira、Jorge Rubio2007-12-01Materials Research

This work presents studies of modification of a natural zeolite by activation with Na+ cations and functionalisation with Ba+2 and/or Cu2+ ions (FZ). The zeolite was characterized, modified and applied in adsorption studies of sulphate and isopropilxanthate ions as flocculated and powdered forms. The reuse of SO4Ba-FZ…