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Single chain in mean field simulations: Quasi-instantaneous field approximation and quantitative comparison with Monte Carlo simulations

Kostas Ch. Daoulas、Marcus Müller2006-11-10The Journal of Chemical Physics

The description of fluctuations by single chain in mean field (SCMF) simulations is discussed and the results of this particle-based self-consistent field technique are quantitatively compared to Monte Carlo simulations of the same discretized Edwards-Hamiltonian providing exact reference data. In SCMF simulations one…

Block Copolymer Self-AssemblyRheology and Fluid Dynamics StudiesMaterial Dynamics and Properties

Synthesis of polyethylenimine/NaYF4nanoparticles with upconversion fluorescence

Feng Wang、Dev Chatterjee、Zhengquan Li 等 6 位作者2006-11-10OpenAlex

Upconverting materials, which can be efficiently excited by near infrared light and emit strong visible light through a process termed 'upconversion fluorescence', have shown great potential for use in biological labelling and imaging. Some upconverting nanoparticles such as NaYF 4 doped with lanthanide ions have been…

Luminescence Properties of Advanced Materialsbioluminescence and chemiluminescence researchLuminescence and Fluorescent Materials

In Situ Microstructure Control of Oriented Layered Double Hydroxide Monolayer Films with Curved Hexagonal Crystals as Superhydrophobic Materials

H. Chen、Fengyu Zhang、Shuai Fu 等 4 位作者2006-11-10OpenAlex

Oriented NiAl-layered double hydroxide (LDH) films with micro-/nanometer scale binary structures are prepared by in situ crystallization, without using any external aluminum source or shape-directing surfactant, on a porous anodic alumina/aluminum substrate. The NiAl-LDH film structures can be controlled by tuning cry…

Surface Modification and SuperhydrophobicityLayered Double Hydroxides Synthesis and ApplicationsAerogels and thermal insulation

Synthesis of Hybrid CdS−Au Colloidal Nanostructures

Aaron E. Saunders、Inna Popov、Uri Banin2006-11-10OpenAlex

We explore the growth mechanism of gold nanocrystals onto preformed cadmium sulfide nanorods to form hybrid metal nanocrystal/semiconductor nanorod colloids. By manipulating the growth conditions, it is possible to obtain nanostructures exhibiting Au nanocrystal growth at only one nanorod tip, at both tips, or at mult…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Migration Energy of He in W Revisited byAb InitioCalculations

Charlotte Becquart、Christophe Domain2006-11-10OpenAlex

We use state of the art ab initio calculations to obtain the diffusion properties of He in tungsten. The calculated migration energy of He is very low, around 0.06 eV. This value is much lower than the experimental field-ion microscopy results which lead to a migration energy of the order of 0.24-0.32 eV. The reason f…

Nuclear Materials and PropertiesAdvanced Chemical Physics StudiesFusion materials and technologies

Sustained Growth of Ultralong Carbon Nanotube Arrays for Fiber Spinning

Q. W. Li、Xiaofei Zhang、R.F. DePaula 等 10 位作者2006-11-10OpenAlex

Arrays of well-aligned, ca. 4.7 mm long carbon nanotubes (CNTs) are grown in a simple, safe, and cost-effective manner using an efficient Al2O3/Fe catalyst prepared by an ion-beam assisted deposition technique (see figure). Importantly, the as-synthesized CNT arrays with lengths ranging from 500 μm to 1.5 mm are condu…

Thermal properties of materialsCarbon Nanotubes in CompositesGraphene research and applications

Copper Catalyzing Growth of Single-Walled Carbon Nanotubes on Substrates

Weiwei Zhou、Zuoyan Han、Jinyong Wang 等 9 位作者2006-11-10OpenAlex

Metallic copper, which is normally considered as a contaminant in the growth of single-walled carbon nanotubes (SWNTs), was found to be an efficient catalyst to grow SWNTs under suitable conditions. It showed very high catalytic activity for the growth of both random SWNT networks and horizontally aligned SWNT arrays.…

Carbon Nanotubes in CompositesGraphene research and applicationsSupercapacitor Materials and Fabrication

DASH: a program for crystal structure determination from powder diffraction data

William I. F. David、Kenneth Shankland、Jacco van de Streek 等 6 位作者2006-11-10OpenAlex

DASH is a user-friendly graphical-user-interface-driven computer program for solving crystal structures from X-ray powder diffraction data, optimized for molecular structures. Algorithms for multiple peak fitting, unit-cell indexing and space-group determination are included as part of the program. Molecular models ca…

Crystallography and molecular interactionsX-ray Diffraction in CrystallographyChemical Synthesis and Characterization

Particokinetics In Vitro: Dosimetry Considerations for In Vitro Nanoparticle Toxicity Assessments

Justin Teeguarden、Paul M. Hinderliter、Galya Orr 等 5 位作者2006-11-10OpenAlex

The rapid growth in the use of in vitro methods for nanoparticle toxicity assessment has proceeded with limited consideration of the unique kinetics of these materials in solution. Particles in general and nanoparticles specifically, diffuse, settle, and agglomerate in cell culture media as a function of systemic and…

Radiation Therapy and DosimetryNanoparticles: synthesis and applicationsField-Flow Fractionation Techniques

Maximizing DNA Loading on a Range of Gold Nanoparticle Sizes

Sarah J. Hurst、Abigail K. R. Lytton‐Jean、Chad A. Mirkin2006-11-10OpenAlex

We have investigated the variables that influence DNA coverage on gold nanoparticles. The effects of salt concentration, spacer composition, nanoparticle size, and degree of sonication have been evaluated. Maximum loading was obtained by salt aging the nanoparticles to approximately 0.7 M NaCl in the presence of DNA c…

Biosensors and Analytical DetectionGold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniques

Design and Creation of Superwetting/Antiwetting Surfaces

Xiangting Feng、Lei Jiang2006-11-10OpenAlex

Abstract Recent achievements in the construction of surfaces with special wettabilities, such as superhydrophobicity, superhydrophilicity, superoleophobicity, superoleophilicity, superamphiphilicity, superamphiphobicity, superhydrophobicity/superoleophilicity, and reversible switching between superhydrophobicity and s…

Fluid Dynamics and Thin FilmsSurface Modification and SuperhydrophobicityAdhesion, Friction, and Surface Interactions

Some remarks on the low-energy excitations in glasses: interpretation of Boson peak data

Spyros N. Yannopoulos、Konstantinos S. Andrikopoulos、Giancarlo Ruocco2006-11-09The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

The frequency-reduced representation, g(ω)/ω2, of the vibrational density of states g(ω), known as the Boson peak is frequently used to extract information on structural and dynamical properties of glasses and supercooled liquids. The g(ω)/ω2 representation is preferred over the true excess of the vibrational modes, d…

Mineralogy and Gemology StudiesMaterial Dynamics and PropertiesGlass properties and applications

Hydrothermal assembly of pyrite-related framework: (NH4)2{[Ni(H2O)3]2[TeW6O24]}·H2O

Bo Gao、Shuxia Liu、Chundan Zhang 等 6 位作者2006-11-09Journal of Coordination Chemistry

A new 3D heteropolyoxotungstate, (NH4)2{[Ni(H2O)3]2[TeW6O24]} · H2O (1), has been isolated from hydrothermal reactions and characterized by elemental analyses, IR spectra and X-ray crystallography. Single-crystal X-ray diffraction analysis reveals that compound 1 possess unusual (3,6)-connected networks constructed fr…

Polyoxometalates: Synthesis and ApplicationsAdvanced Nanomaterials in CatalysisMetal-Organic Frameworks: Synthesis and Applications

Influence of Carbon‐Black Nanoparticles on Poly(butylene terephthalate) Fractionated Crystallization in Bicomponent Poly(butylene terephthalate)/Poly[ethylene‐co‐(ethyl acrylate)] Blends

Isabelle Pillin、Jean‐François Feller2006-11-09Macromolecular Materials and Engineering

Abstract Summary: The crystallization of the PBT minor phase in an EEA continuous matrix has been studied by DSC and SEM. When PBT is the minor phase, PBT crystallizes at a lower temperature, as expected, near T c,f1 = 105 °C. Introducing different CB nanoparticles into the EEA continuous phase at contents increasing…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Molecular dynamics calculations of anion diffusion in nitrogen-doped yttria-stabilized zirconia

Martin Kilo、Thorsten Homann、Thomas Bredow2006-11-09The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

Anion diffusion was simulated in the system (Y0.2Zr0.8)–(O1.72N0.15) with the molecular dynamics (MD) technique using the program DL_POLY, employing empirical potentials of the Buckingham type. To describe nitrogen migration, nitrogen potentials had to be developed, assuming the interaction of charged nitrogen shells…

Advancements in Solid Oxide Fuel CellsZeolite Catalysis and SynthesisNuclear materials and radiation effects

Intrinsic inhomogeneity as origin of incomplete ferroelectricity

A. Bussmann‐Holder、A. R. Bishop2006-11-09Europhysics Letters (EPL)

Strontium titanate is an incipient ferroelectric where the freezing of the soft polar mode is inhibited by quantum fluctuations (Müller K. A. and Burhard H., Phys. Rev. B , 19 (1979) 3593). Exchanging 16 O by its isotope 18 O induces ferroelectricity at T c = 25 K (Itoh M., Wang R., Inaguma Y., Yamaguchi T., Shan Y. J…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMultiferroics and related materials

An Analysis on Enhancement of Fatigue Durability of Polyurethane by Incorporating Organoclay Nanofillers

Jie Jin、Lei Chen、Mo Song 等 4 位作者2006-11-09Macromolecular Materials and Engineering

Abstract Summary: One of the important applications of PUEs is as damping materials such as the spring aids used in cars, which need to have excellent cyclic fatigue durability. Our results show that the fatigue durability of PUE can be significantly improved by incorporating organoclay. The best result was obtained f…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingTribology and Wear Analysis

A New Technique for Preparing a Filled Type of Polymeric Gradient Material

Yongbin Zhu、Ming Tian、Yang Sun 等 5 位作者2006-11-09Macromolecular Materials and Engineering

Abstract Summary: So‐called functionally gradient materials have received increased attention as a new type of composite whose microelements, including composition and structure, change spatially to optimize the gradient properties for a specific application. In this study, a new technique for continuously preparing a…

Synthesis and properties of polymersPolymer Nanocomposites and PropertiesTribology and Wear Analysis

Electrospinning in Near-Critical CO2

Zhihao Shen、Bowlin E. Thompson、Mark A. McHugh2006-11-09Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTElectrospinning in Near-Critical CO2Zhihao Shen, Bowlin E. Thompson, and Mark A. McHughView Author Information Philip Morris USA Postgraduate Research Program, 4201 Commerce Road, Richmond, Virginia 23234, and Department of Chemical…

Electrospun Nanofibers in Biomedical ApplicationsAdvanced Sensor and Energy Harvesting MaterialsPolymer Foaming and Composites