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Atomistic and mesoscale simulations of free solidification in comparison

И. В. Мальцев、А. А. Мирзоев、Denis Danilov 等 4 位作者2009-06-16Modelling and Simulation in Materials Science and Engineering

Solidification of an undercooled Lennard-Jones system is considered by atomistic and mesoscale simulations. The influence of the parameters of a Nosé–Hoover thermostat on the temperature profile in the molecular dynamics box during the free solidification of the sample is analyzed. Direct comparison of the temperature…

Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenananoparticles nucleation surface interactions

Crystal Structure, Vibrational Spectra and Activation of BaCa(P4O12) with Eu2+ Compared with β‐Sr(PO3)2:Eu

Henning A. Höppe、Johann M. U. Panzer2009-06-16European Journal of Inorganic Chemistry

Abstract The polyphosphates β‐Sr(PO 3 ) 2 and BaCa(PO 3 ) 4 were doped with Eu 2+ , BaCa(PO 3 ) 4 was structurally characterised for the first time. Both phosphors were analysed by fluorescence spectroscopy. β‐Sr(PO 3 ) 2 :Eu and BaCa(PO 3 ) 4 :Eu were found to emit blue light at 424 nm and 418 nm, respectively, with…

Luminescence Properties of Advanced MaterialsCrystal Structures and PropertiesChemical Synthesis and Characterization

Positive Ion Mass Spectrometry during an Atmospheric Pressure Plasma Treatment of Polymers

Alison J. Beck、Yolanda Aranda Gonzalvo、A. Pilkington 等 5 位作者2009-06-16Plasma Processes and Polymers

Abstract A low power atmospheric pressure helium plasma torch was used to modify the surface chemistry of poly( α ‐methylstyrene), polystyrene, poly(propylene) and polyethylene. Mass spectra of the positive ions present in the plasma during the treatment revealed dominant ions with structures that reflected the struct…

Surface Modification and SuperhydrophobicityPlasma Applications and DiagnosticsIon-surface interactions and analysis

The effects of soft‐segment molecular weight and organic modifier on properties of organic‐modified MMT‐PU nanocomposites

Chia‐Hao Wang、Yeong‐Tarng Shieh、Steven Nutt2009-06-16Journal of Applied Polymer Science

Abstract The effects of soft‐segment molecular weight and organic modification of montmorillonite (MMT) on thermal and mechanical properties of segmented polyurethane (PU) elastomers were investigated. The PU/MMT nanocomposites were prepared by in situ polymerization, and the compositions included soft segments with n…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingSilicone and Siloxane Chemistry

Effects of two different maleic anhydride‐modified adhesion promoters (PP‐g‐MA) on the structure and mechanical properties of nanofilled polyolefins

P. Eteläaho、Katja Nevalainen、Reija Suihkonen 等 5 位作者2009-06-16Journal of Applied Polymer Science

Abstract The effects of adhesion promoter properties on the structure and mechanical behavior of nanoclay‐filled polyolefin nanocomposites are presented. Two different maleic anhydride‐modified polypropylenes having varying maleic anhydride content and molecular weight were used. The influence of these parameters on t…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesTribology and Wear Analysis

Aqueous Corrosion of the GeSe 4 Chalcogenide Glass: Surface Properties and Corrosion Mechanism

Yifan Niu、Jean‐Pierre Guin、Tanguy Rouxel 等 6 位作者2009-06-16Journal of the American Ceramic Society

The aqueous corrosion behavior of the GeSe 4 glass composition has been studied over time under various conditions (temperature and pH). The evolution of the surface topography by atomic force microscopy and properties such as surface hardness and reduced modulus, as well as the optical transmission in the 1–16 μm win…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsPhase-change materials and chalcogenides

Push–Pull Azo‐Chromophores Containing Two Fused Pentatomic Heterocycles and Their Nonlinear Optical Properties

Roberto Centore、Sandra Fusco、Andrea Peluso 等 7 位作者2009-06-16European Journal of Organic Chemistry

Abstract We have developed procedures for the synthesis of push–pull azo‐chromophores containing the s ‐triazolo[3,4‐ b ]thiadiazole heterocycle compatible with the presence of electron‐acceptor groups (nitrophenyl group) as substituents on both the triazole and thiadiazole rings. The linear and non‐linear optical pro…

Molecular Junctions and NanostructuresNonlinear Optical Materials ResearchPhotochromic and Fluorescence Chemistry

Photochemical Regulation of Restriction Endonuclease Activity

Douglas D. Young、Jeane M. Govan、Mark O. Lively 等 4 位作者2009-06-16ChemBioChem

Removal by the light: The photochemical regulation of restriction endonucleases, which are important enzymes in molecular biology, has been investigated. Photolabile protecting groups have been installed on DNA substrates and have been demonstrated to inhibit restriction endonuclease activity until removed by UV light…

Photochromic and Fluorescence ChemistryPhotoreceptor and optogenetics researchbioluminescence and chemiluminescence research

Fabrication of low-pressure field ionization gas sensor using bent carbon nanotubes

Mina Baghgar、Yaser Abdi、Ezatollah Arzi2009-06-16Journal of Physics D Applied Physics

Bent multiwall carbon nanotubes (CNTs) were grown on silicon substrate by manipulating the direction of the electric field during the growth process in the plasma enhanced chemical vapour deposition system in the presence of hydrogen and acetylene gases. Different geometries of the as-grown nanostructures were employe…

Carbon Nanotubes in CompositesGas Sensing Nanomaterials and SensorsMechanical and Optical Resonators

Ultradense Polymer Brushes by Adsorption

Wiebe M. de Vos、J. Mieke Kleijn、Arie de Keizer 等 4 位作者2009-06-16Angewandte Chemie International Edition

Standing room only: Dense polymer brushes can be prepared by adsorbing a diblock copolymer comprising a neutral block and a polyelectrolyte block to an oppositely charged polyelectrolyte brush (see picture). The density of the resulting neutral brush is determined by charge compensation, leading to brush densities wel…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresForce Microscopy Techniques and Applications

Role of Impurities in the Sintering Behavior and Properties of Lead Zirconate Titanate Ceramics

Xianliang Huang、F. Raether2009-06-16Journal of the American Ceramic Society

Small amounts of impurities are always present in the raw materials for the mass production of lead zirconate titanate (PZT) ceramics. In this work, the effects of these impurities on sintering kinetics were investigated. The sintering behavior of PZT ceramics was monitored in situ by a thermo‐optical measuring device…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisElectronic and Structural Properties of Oxides

Site-Directed Mutagenesis as a Probe of the Acid−Base Catalytic Mechanism of Homoisocitrate Dehydrogenase from Saccharomyces cerevisiae

Ying Lin、Ann H. West、Paul Cook2009-06-16Biochemistry

Homoisocitrate dehydrogenase (HIcDH) catalyzes the Mg2+- and K+-dependent oxidative decarboxylation of homoisocitrate to alpha-ketoadipate using NAD as the oxidant. A recent consideration of the structures of enzymes in the same family as HIcDH, including isopropylmalate and isocitrate dehydrogenases, suggests all of…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical Acid Research Studies

Growth and Characterization of Nonpolar (1010) Zn1−xMgxO (0 ≤ x ≤ 0.113) Epitaxial Films: A Comparison of γ-LiAlO2 (100) and Sapphire (1010) Substrates

Wan-Hsien Lin、Jih‐Jen Wu、M. Y. Chou 等 4 位作者2009-06-16Crystal Growth & Design

γ-LiAlO 2 (100) and sapphire (101̅0) substrates have been employed to grow nonpolar (101̅0) Zn 1− x Mg x O films using metalorganic chemical vapor deposition. Zn 1− x Mg x O films with various Mg contents (0 ≤ x ≤ 0.113) are obtained by adjusting the partial pressure of the Mg metalorganic precursor in gas phase. Mg a…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

Finite size effects on the gate leakage current in graphene nanoribbon field-effect transistors

Ling‐Feng Mao2009-06-16Nanotechnology

The finite size effects in nanoribbon graphene field-effect transistors (FETs) make the energy distribution of the channel electrons very different from that when neglecting finite size effects. Such an effect is especially obvious when the width of the graphene ribbon is a few nanometers. Thus, it results in more hig…

Carbon Nanotubes in CompositesGraphene research and applicationsQuantum and electron transport phenomena

Empirical expression for the emission site density of nanotube film emitters

Huarong Liu、Shigekí Kato、Yahachi Saito2009-06-16Nanotechnology

The influence of surface roughness on emission site density (ESD) is investigated for nanotube film emitters. An empirical expression for film emitters, [Formula: see text], where B is the intercept in the modified Fowler-Nordheim (FN) plots, A(CNT) the emission area of one site, and C related to the work function, is…

Carbon Nanotubes in CompositesGraphene research and applicationsNanowire Synthesis and Applications

Defects in codoped NiO with gigantic dielectric response

Ping Wu、V. Ligatchev、Zhi Gen Yu 等 6 位作者2009-06-16Physical Review B

We combine first-principles, statistical, and phenomenological methods to investigate the electronic and dielectric properties of NiO and clarify the nature of the gigantic dielectric response in codoped NiO. Unlike previous models which are dependent on grain-boundary effects, our model based on small polaron hopping…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsDielectric properties of ceramics

Microstructural Evolution of Silica on Single Crystal Silicon Carbide. Part II: Influence of Impurities and Defects

Volker Presser、Anselm Loges、Richard Wirth 等 4 位作者2009-06-16Journal of the American Ceramic Society

Passive oxidation of single crystal silicon carbide (6H–SiC) resulted in the formation of a vitreous silica layer which crystallized gradually at temperatures near 1300°–1400°C. During this process, statistically distributed devitrification centers appeared and disk‐like aligned crystal plates (radialites) formed. The…

Advanced ceramic materials synthesisSilicon Nanostructures and PhotoluminescenceRecycling and utilization of industrial and municipal waste in materials production

Synthesis, Characterization, and Applications of Water‐Soluble Tantalum Carboxylate Precursors via a Flux Method

Aidong Li、Jizhou Kong、Haifa Zhai 等 6 位作者2009-06-16Journal of the American Ceramic Society

A novel, simple, and feasible route for synthesizing air‐stable, water‐soluble tantalum precursors has been developed using moisture‐insensitive Ta 2 O 5 as a starting source of the Ta element, based on the conventional basic flux method. Various analytical techniques have been used to characterize the formation mecha…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Electroluminescence of a single active layer polymer–nanocrystal hybrid light-emitting diode with inversion symmetry

Dong‐Ick Son、Donghee Park、Won Kook Choi 等 4 位作者2009-06-16Nanotechnology

A hybrid polymer-nanocrystal (NC) light-emitting diode (LED) device with a single active layer structure is simply fabricated by a spin coating. From a high-resolution transmission electron microscopy (HRTEM) study, each PVK polymer particle is observed to be capped with TPBi molecules and CdSe/ZnS NCs are mainly dist…

Perovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesOrganic Light-Emitting Diodes Research

Shear-Induced Chiral Migration of Particles with Anisotropic Rigidity

Nobuhiko Watari、Ronald G. Larson2009-06-16Physical Review Letters

We report that an achiral particle with anisotropic rigidity can migrate in the vorticity direction in shear flow. A minimal "tetrumbbell" model of such a particle is constructed from four beads and six springs to make a tetrahedral structure. A combination of two different spring constants corresponding to "hard" and…

Proteins in Food SystemsMicro and Nano RoboticsPickering emulsions and particle stabilization