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B3LYP study of the dipole moment and the static dipole (hyper)polarizabilities of para‐nitroaniline in gas phase

Humberto Soscún、Olga Castellano、Yaneth Bermúdez 等 7 位作者2005-11-21International Journal of Quantum Chemistry

Abstract The dipole moment μ and the electronic (hyper)polarizabilities α, β, and γ tensors of paranitroaniline (PNA) has been calculated in the static regime with the B3LYP hybrid approach of the density functional theory (DFT) formalism and by using the numerical triple finite field method of Kamada et al. The calcu…

Nonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsElectron Spin Resonance Studies

Structural and free‐volume analysis for alkyl‐substituted palladium‐catalyzed poly(norbornene): A combined experimental and Monte Carlo investigation

Broderick R. Wilks、Won Jae Chung、Peter J. Ludovice 等 6 位作者2005-11-21Journal of Polymer Science Part B Polymer Physics

Abstract Increasing the length of an alkyl side chain on a rigid polynorbornene (PNB) backbone is shown to decrease the glass‐transition temperature of the resultant polymer, decrease the density of the bulk polymer, decrease the number and average free‐volume element size present, and decrease the permeability of gas…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and CharacterizationMembrane Separation and Gas Transport

Electro-optics and structural peculiarities of liquid crystal–nanoparticle-polymer composites

O. Yaroshchuk、L. Dolgov、Alexei D. Kiselev2005-11-21Physical Review E

The structural peculiarities and electro-optic performance of liquid crystal (LC)-colloidal nanoparticle (NP)-polymer (P) composites formed by photoinduced phase separation are considered. We classify these materials under two groups according to two limiting cases of polymer morphology. The first group corresponding…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsOptical Polarization and Ellipsometry

A unifying treatise on variational principles for gradient and micromorphic continua

Nina Kirchner、Paul Steinmann2005-11-21The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

The effective macroscopic behaviour of most materials depends significantly on the structure exhibited at the microscopic level. In recent decades, considerable effort has thus been directed towards the development of continuum theories accounting for the inherent microstructure of materials. A unified theory is, howe…

Composite Material MechanicsThermoelastic and Magnetoelastic PhenomenaNonlocal and gradient elasticity in micro/nano structures

Photovoltaic properties of (Pb,La)(Zr,Ti)O3 films with different crystallographic orientations

Masaaki Ichiki、Hirokazu Furue、Takeshi Kobayashi 等 7 位作者2005-11-21Applied Physics Letters

Photovoltaic (Pb,La)(Zr,Ti)O3 films in a layered structure of different crystallographic orientations are fabricated by an optimized metalorganic deposition method. Such films of (001) orientation exhibit a photovoltaic electrical power of approximately 20 times higher than that of random films. The anisotropic optica…

Ferroelectric and Piezoelectric MaterialsSemiconductor materials and devicesElectronic and Structural Properties of Oxides

Elasticity of Solids with a Large Concentration of Point Defects

Mark Greenberg、Ellen Wachtel、Igor Lubomirsky 等 5 位作者2005-11-21Advanced Functional Materials

Abstract The elastic behavior of solids with a large concentration of interacting point defects has been analyzed. The analysis predicts that, in such solids, mechanical stress may be partially relieved by a shift in the association/dissociation equilibrium of the point defects. Association/dissociation of the point d…

Advancements in Solid Oxide Fuel CellsHigh-pressure geophysics and materialsElectronic and Structural Properties of Oxides

A geometric framework for the kinematics of crystals with defects

John D. Clayton、D. J. Bammann、D. L. McDowell2005-11-21The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

Presented is a general theoretical framework capable of describing the finite deformation kinematics of several classes of defects prevalent in metallic crystals. Our treatment relies upon powerful tools from differential geometry, including linear connections and covariant differentiation, torsion, curvature and anho…

Microstructure and mechanical propertiesElasticity and Material ModelingNonlocal and gradient elasticity in micro/nano structures

Hydrothermal synthesis of layered hydroxide zinc benzoate compounds and their exfoliation reactions

Jian-Ying Miao、Mei Xue、Hiroshi Itoh 等 4 位作者2005-11-21Journal of Materials Chemistry

Layered hydroxide zinc benzoate compounds with structure of layered basic metal salt (LBMS) were prepared by a hydrothermal reaction in a temperature range of 110–180 °C. The structure, chemical composition, and exfoliation reaction in alcohol solvents of the layered compounds were investigated by using XRD, TG-DTA, S…

Polyoxometalates: Synthesis and ApplicationsLayered Double Hydroxides Synthesis and ApplicationsMagnesium Oxide Properties and Applications

Bending of a Carbon Nanotube in Vacuum Using a Focused Ion Beam

B. C. Park、Ki‐Young Jung、Won Young Song 等 5 位作者2005-11-21Advanced Materials

A focused ion beam is used to plastically bend and straighten freestanding multiwalled carbon nanotubes held at the apex of a scanning force microscopy tip (see Figure). The nanotube aligns itself parallel to the beam direction so that its free end is directed toward the ion source. In this orientation, the nanotube i…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsIon-surface interactions and analysis

In vitro hemocompatibility of albumin–heparin multilayer coatings on polyethersulfone prepared by the layer‐by‐layer technique

Claudia Sperling、Milan Houška、Eduard Brynda 等 5 位作者2005-11-21Journal of Biomedical Materials Research Part A

Polyethersulfone foils (PES)--a unique material for blood purification membranes--were coated with a multilayer assembly of heparin (unfractionated or high anticoagulant activity fraction heparin) and albumin (albumin-heparin coatings), or with a multilayer of albumin (albumin coating), using the layer-by-layer techni…

Platelet Disorders and TreatmentsPolymer Surface Interaction StudiesHemostasis and retained surgical items

Fe – Ga ∕ Pb ( Mg 1 ∕ 3 Nb 2 ∕ 3 ) O 3 – Pb Ti O 3 magnetoelectric laminate composites

Shuxiang Dong、Junyi Zhai、Naigang Wang 等 7 位作者2005-11-21Applied Physics Letters

We have found large magnetoelectric (ME) effects in long-type laminate composites of Fe–20%Ga magnetostrictive alloys and piezoelectric Pb(Mg1∕3Nb2∕3)O3–PbTiO3 single crystals. At lower frequencies, the ME voltage coefficient of a laminate with longitudinally magnetized and longitudinally polarized (i.e., L-L mode) la…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMagnetic Properties and Applications

Direct Observation of Nanocrystallite Buckling in Carbon Fibers under Bending Load

Dieter Loidl、Oskar Paris、Manfred Burghammer 等 5 位作者2005-11-21Physical Review Letters

Single carbon fibers are deformed in bending by forming loops with varying radius. Position-resolved x-ray diffraction patterns from the bent fibers are collected from the tension to the compression region with a synchrotron radiation nanobeam of 100 nm size from a waveguide structure. A strain redistribution with a s…

Carbon Nanotubes in CompositesGraphene research and applicationsFiber-reinforced polymer composites

Properties of polystyrene and polymethyl methacrylate copolymers of polyhedral oligomeric silsesquioxanes: A molecular dynamics study

Reena R. Patel、Rajendran Mohanraj、Charles U. Pittman2005-11-21Journal of Polymer Science Part B Polymer Physics

Abstract Molecular dynamics simulations were carried out on copolymers of both styrene and methyl methacrylate with polyhedral oligomeric silsesquioxane (POSS) derivatives to identify the origin of the property changes imparted upon the chemical incorporation of POSS. Simulations were carried out on these hybrid copol…

Advanced ceramic materials synthesisPolymer Nanocomposites and PropertiesSilicone and Siloxane Chemistry

Conducting polymer and hydrogenated amorphous silicon hybrid solar cells

Evan L. Williams、Ghassan E. Jabbour、Qi Wang 等 6 位作者2005-11-21Applied Physics Letters

An organic-inorganic hybrid solar cell with a p-i-n stack structure has been investigated. The p-layer was a spin coated film of PEDOT:PSS [poly(3,4-ethylenedioxythiophene) poly (styrenesulfonate)]. The i-layer was hydrogenated amorphous silicon (a-Si:H), and the n-layer was microcrystalline silicon (μc-Si). The inorg…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsNanowire Synthesis and Applications

Directed integration of ZnO nanobridge devices on a Si substrate

John F. Conley、Lisa Stecker、Y. Ono2005-11-21Applied Physics Letters

We demonstrate the directed assembly and integration of ZnO nanobridges into working devices on silicon-on-insulator substrates. The “pick and place” method of nanowire integration is avoided and metal catalysts are not used. ZnO nanowires (NWs) were grown selectively via a vapor-solid method using a patterned ZnO thi…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsNanowire Synthesis and Applications

Structure–property relationship in chitosan‐based biopolymer/montmorillonite nanocomposites

Shaofeng Wang、Ling Chen、Yuejin Tong2005-11-21Journal of Polymer Science Part A Polymer Chemistry

Three kinds of chitosan-based biopolymer/montmorillonite (MMT) nanocomposites have been prepared by an exfoliation–adsorption method. The structure of MMT is tailored by the functional groups of the polymer matrix. Chitosan/MMT nanocomposites form intercalated-and-flocculated structures, whereas with the introduction…

Polymer Nanocomposites and PropertiesConducting polymers and applicationsbiodegradable polymer synthesis and properties

Hole‐Doped Single‐Walled Carbon Nanotubes: Ornamenting with Gold Nanoparticles in Water

Dong‐Sik Kim、Takhee Lee、Kurt E. Geckeler2005-11-21Angewandte Chemie International Edition

A simple and facile method has been developed that allows water-soluble hybrid materials of Au nanoparticles and hole-doped single-walled carbon nanotubes (SWNTs) to be prepared. Uniformly arranged Au nanoparticles (see TEM image) were obtained by the addition of metal salts to surfactant-suspended SWNTs in water usin…

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Controlled Electrodissolution of Polyelectrolyte Multilayers: A Platform Technology Towards the Surface‐Initiated Delivery of Drugs

Fouzia Boulmedais、Chen Tang、Beat Keller 等 4 位作者2005-11-21Advanced Functional Materials

Abstract A novel method for the electrochemical dissolution of polyelectrolyte multilayers from the surface of an electrode for applications in controlled drug delivery is reported. Biodegradable and biocompatible multilayer films based on poly( L ‐lysine) and heparin have been selected as a model system, and have bee…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresNanofabrication and Lithography Techniques

Atomistic formulation of a multiscale field theory for nano/micro solids

Yaobin Chen、J. Lee2005-11-21The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics

This paper aims to formulate a field theory for the solution of classical N-body problem. In this paper, multi-length and time scale material behaviour is addressed from the viewpoint of lattice dynamics. A multiscale field theory that can work as an alternative to molecular dynamics simulation in studying statistical…

Composite Structure Analysis and OptimizationComposite Material MechanicsNonlocal and gradient elasticity in micro/nano structures