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Why are effective potentials soft ?

Sabine H. L. Klapp、D. J. Diestler、Martin Schoen2004-10-02Journal of Physics Condensed Matter

This paper is concerned with effective potentials between interacting supramolecular particles separated by a distance R. We focus on the question of why these potentials are typically 'soft', i.e., remain finite for and vary more weakly with R than the underlying interatomic interaction potentials. On the basis of a…

Material Dynamics and PropertiesTheoretical and Computational PhysicsBlock Copolymer Self-Assembly

Ageing dynamics of translational and rotational diffusion in a colloidal glass

Sara Jabbari‐Farouji、Erika Eiser、G. H. Wegdam 等 4 位作者2004-10-02Journal of Physics Condensed Matter

We study the dynamics of translational and rotational diffusion during the ageing of a colloidal glass of Laponite using polarized and depolarized dynamic light scattering. The dynamics are qualitatively similar between the two degrees of freedom. The short-time diffusion is independent of the time elapsed since the s…

Geological and Geochemical AnalysisMaterial Dynamics and PropertiesMineralogy and Gemology Studies

The fabrication and electrical properties of carbon nanofibre–polystyrene composites

Yonglai Yang、Mool C. Gupta、Kenneth L. Dudley 等 4 位作者2004-10-02Nanotechnology

Carbon nanofibre–polystyrene (PS) composites were fabricated by ultrasonic dispersion in a solution followed by spraying to cast films. These films were then hot-pressed to form thicker structures. Direct current conductivity measurement results show that the conductivity of the composite reaches 2.6 × 10 −5 S m −1 at…

Carbon Nanotubes in CompositesAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Thermo-sensitive Luminescence Based on the Back Energy Transfer in Terbium(III) Complexes

Shinya Katagiri、Yasuchika Hasegawa、Yuji Wada 等 4 位作者2004-10-02Chemistry Letters

Abstract The emission intensities of Tb(hexafluoroacetylacetonato)3(H2O)2 [Tb(HFA)3(H2O)2] and Tb(HFA)3(triphenylphosphine oxide)2 [Tb(HFA)3(TPPO)2] in acetone-d6 dramatically decreased with increasing temperature in contrast to no change observed for Tb(NO3)3. The high thermal sensitivity is attributed to the back en…

Advanced MRI Techniques and ApplicationsMedical Imaging Techniques and ApplicationsLanthanide and Transition Metal Complexes

Spectroscopic Properties and Electronic Structure of Pentammineruthenium(II) Dinitrogen Oxide and Corresponding Nitrosyl Complexes: Binding Mode of N 2 O and Reactivity

Florian Paulat、Torben Kuschel、Christian Näther 等 6 位作者2004-10-02Inorganic Chemistry

The spectroscopic properties and the electronic structure of the only nitrous oxide complex existing in isolated form, [Ru(NH(3))(5)(N(2)O)]X(2) (1, X = Br(-), BF(4)(-)), are investigated in detail in comparison to the nitric oxide precursor, [Ru(NH(3))(5)(NO)]X(3) (2). IR and Raman spectra of 1 and of the correspondi…

Nitric Oxide and Endothelin EffectsMetal complexes synthesis and propertiesMagnetism in coordination complexes

On the conditions of carbon nanotube growth in the arc discharge

Michael Keidar、Anthony M. Waas2004-10-02Nanotechnology

The conditions for single wall carbon nanotube formation in the arc discharge method of nanotube production are described. Carbon nanotube seed formation and charging in the interelectrode gap are found to be very important effects that may alter carbon nanotube formation on the cathode surface. The model predicts tha…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchElectrohydrodynamics and Fluid Dynamics

A reactive empirical bond order (REBO) potential for hydrocarbon–oxygen interactions

Boris Ni、Ki-Ho Lee、Susan B. Sinnott2004-10-02Journal of Physics Condensed Matter

The expansion of the second-generation reactive empirical bond order (REBO) potential for hydrocarbons, as parametrized by Brenner and co-workers, to include oxygen is presented. This involves the explicit inclusion of C–O, H–O, and O–O interactions to the existing C–C, C–H, and H–H interactions in the REBO potential.…

Computational Drug Discovery MethodsForce Microscopy Techniques and ApplicationsThermal and Kinetic Analysis

Intrinsic dielectric response in ferroelectric nano-capacitors

M. Saad、Paul N. W. Baxter、R. M. Bowman 等 6 位作者2004-10-02Journal of Physics Condensed Matter

Measurements on ‘free-standing’ single-crystal barium titanate capacitors with thickness down to 75 nm show a dielectric response typical of large single crystals, rather than conventional thin films. There is a notable absence of any broadening or temperature shift of the dielectric peak or loss tangent. Peak dielect…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Modelling polycrystalline solidification using phase field theory

László Gránásy、Tamás Pusztai、James A. Warren2004-10-02Journal of Physics Condensed Matter

We review recent advances made in the phase field modelling of polycrystalline solidification. Areas covered include the development of theory from early approaches that allow for only a few crystal orientations, to the latest models relying on a continuous orientation field and a free energy functional that is invari…

Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenananoparticles nucleation surface interactions

Photovoltaic Properties of Dye Functionalized Single-Wall Carbon Nanotube/Conjugated Polymer Devices

Shreya Bhattacharyya、Emmanuel Kymakis、G.A.J. Amaratunga2004-10-02Chemistry of Materials

Photovoltaic properties of dye, N -(1-pyrenyl)maleimide (PM), functionalized single-walled carbon nanotubes (SWNT)−conjugated polymer, poly(3-octylthiophene) (P3OT), blend composites are reported. Devices were fabricated by drop or spin cast from the solution of composite onto ITO-coated glass. Improved performance wa…

Organic Electronics and PhotovoltaicsCarbon Nanotubes in CompositesConducting polymers and applications

Controlled synthesis of magnesium hydroxide nanoparticles with different morphological structures and related properties in flame retardant ethylene–vinyl acetate blends

LV Jian-ping、Longzhen Qiu、Baojun Qu2004-10-02Nanotechnology

Magnesium hydroxide nanoparticles with different morphological structures of needle-, lamellar- and rod-like nanocrystals have been synthesized by solution precipitation reactions of alkaline with magnesium chloride in the presence of complex dispersants and characterized in terms of morphology, particle size, crystal…

Flame retardant materials and propertiesLayered Double Hydroxides Synthesis and ApplicationsMagnesium Oxide Properties and Applications

Intrinsic hole localization mechanism in magnetic semiconductors

Hannes Raebiger、A. Ayuela、R. M. Nieminen2004-10-02Journal of Physics Condensed Matter

Abstract. – The interplay between clustering and exchange coupling in magnetic semiconductors for the prototype (Ga1−x,Mnx)As with manganese concentrations x of 1/16 and 1/32 in the interesting experimental range is investigated. For x ∼ 6%, when all possible arrangements of two atoms within a large supercell are cons…

Physics of Superconductivity and MagnetismMagnetic properties of thin filmsZnO doping and properties

Surface-Active and Stimuli-Responsive Polymer−Si(100) Hybrids from Surface-Initiated Atom Transfer Radical Polymerization for Control of Cell Adhesion

Fu‐Jian Xu、S.P. Zhong、Lin Yue Lanry Yung 等 5 位作者2004-10-02Biomacromolecules

A simple two-step method was developed for the covalent immobilization of atom-transfer radical polymerization (ATRP) initiators on the hydrogen-terminated Si(100) (Si-H) surface. Well-defined functional polymer-Si hybrids, consisting of covalently tethered brushes of poly(ethylene glycol) monomethacrylate (PEGMA) pol…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresNanofabrication and Lithography Techniques

NaCl nanodroplet on NaCl(100) at the melting point

T. Zykova-Timan、U. Tartaglino、D. Ceresoli 等 5 位作者2004-10-02arXiv

The self-wetting properties of ionic crystal surfaces are studied, using NaCl(100) as a prototype case. The anomalously large contact angle measured long ago by Mutaftschiev is well reproduced by realistic molecular dynamics simulations. Based on these results, and on independent determinations of the liquid-vapor and…

Materials Science

Coherent Coupling of Molecular Excitons to Electronic Polarizations of Noble Metal Nanoparticles

Gary P. Wiederrecht、Gregory A. Wurtz、Jasmina Hranisavljevic2004-10-02Nano Letters

We report the observation of coherent polarization coupling between the exciton of a molecular J-aggregate and the electronic polarization of noble metal nanoparticles. For Ag nanoparticles, coherent exciton coupling to the conduction band electrons leads to constructive interference and a long-lived exciton. For Au n…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesSpectroscopy and Quantum Chemical Studies

Contact-Angle Hysteresis on Super-Hydrophobic Surfaces

Glen McHale、Neil J. Shirtcliffe、Michael I. Newton2004-10-02OpenAlex

The relationship between perturbations to contact angles on a rough or textured surface and the super-hydrophobic enhancement of the equilibrium contact angle is discussed theoretically. Two models are considered. In the first (Wenzel) case, the super-hydrophobic surface has a very high contact angle and the droplet c…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferAdhesion, Friction, and Surface Interactions

Crystallization of Thin Polymer Films: Crystallinity, Kinetics, and Morphology

Vincent H. Mareau and Robert E. Prud'homme2004-10-01Soft Materials

The mechanisms involved in the crystallization of polymer molecules, in the form of folded chain crystals [1] called lamellae, are now well understood [24]. The lamellar organization of polymers, crystallized both from solution and from the melt, is generally observed when the polymer chains are flexible and linear eno…

Polymer crystallization and properties

Cement Composition Effects on the Rheological Property Evolution in Concentrated Cement–Polyelectrolyte Suspensions

Glen H. Kirby、Jennifer A. Lewis2004-10-01Journal of the American Ceramic Society

We have studied the rheological property evolution and hydration behavior of white and ordinary portland cement (type I) pastes and concentrated cement–polyelectrolyte suspensions. Cement composition had a marked effect on the elastic property evolution ( G ′( t )) and hydration behavior of these suspensions in the pr…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Plan-view and cross-sectional characterization of thiourea-treated phosphorus-added steel surface

Kaoru Sato2004-10-01Journal of Electron Microscopy

The galvanizing reaction is retarded when phosphorus-added steel is used as a substrate. We have found that both the galvanizing and the galvannealing reactions are highly promoted when thiourea solution is coated on the cold-rolled steel surface before the annealing process. Both a plan-view and cross-sectional chara…

Electron and X-Ray Spectroscopy TechniquesAdvanced Materials Characterization Techniques

Adjacent sequence iteration method for designing a diffractive element with function of long focal depth

Zhongyu Chen2004-10-01Optical Engineering

An adjacent sequence iteration method for designing a diffractive element with function of controlling wavefront propagation is presented, and a binary optical element for focusing a diode laser beam in a long focal depth is designed with this method, fabricated by means of photolithography and ion-etching techniques.…

Optical measurement and interference techniquesAdvanced optical system designOptical Coatings and Gratings