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Comparison of molecular dynamics with hybrid continuum–molecular dynamics for a single tethered polymer in a solvent

Sandra Barsky、Rafael Delgado‐Buscalioni、Peter V. Coveney2004-07-14The Journal of Chemical Physics

We compare a newly developed hybrid simulation method which combines classical molecular dynamics (MD) and computational fluid dynamics (CFD) to a simulation consisting only of molecular dynamics. The hybrid code is composed of three regions: a classical MD region, a continuum domain where the dynamical equations are…

Material Dynamics and PropertiesSurfactants and Colloidal SystemsRheology and Fluid Dynamics Studies

Evidence of strong nanotube alignment and for iron preferential growth axis in multiwalled carbon nanotube carpets

Vincent Pichot、Pascale Launois、Mathieu Pinault 等 5 位作者2004-07-14Applied Physics Letters

This letter reports structural results obtained from x-ray scattering measurements performed on individual carbon nanotube carpets. Carpets of aligned multiwalled nanotubes are synthesized by the aerosol pyrolysis method using liquid hydrocarbon∕metallocene aerosols. Nanotube alignment of ±5.5° with respect to the ave…

Carbon Nanotubes in CompositesGraphene research and applicationsSupercapacitor Materials and Fabrication

Ferroelectric domain reversal in LiNbO3 crystals using high-voltage atomic force microscopy

A. Agronin、Y. Rosenwaks、G. Rosenman2004-07-14Applied Physics Letters

High-voltage atomic force microscopy is used for nanoscale polarization reversal in LiNbO3 single crystals. The tailored domain patterns have been observed using piezoelectric force microscopy and etching techniques. A variety of domain shapes preserving the elementary crystallographic symmetry have been obtained. It…

Ferroelectric and Piezoelectric MaterialsPhotorefractive and Nonlinear OpticsAcoustic Wave Resonator Technologies

Probing carbon nanoparticles inCNxthin films using Raman spectroscopy

Debdulal Roy、Manish Chhowalla、Niklas Hellgren 等 5 位作者2004-07-14Physical Review B

Carbon nitride films prepared by magnetron sputtering were studied by multiwavelength Raman spectroscopy. The low/intermediate wavenumber features observed near 400 and $700\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$ are addressed, and the relaxation of the Raman selection rule due to curvature of the…

Graphene research and applicationsMetal and Thin Film MechanicsDiamond and Carbon-based Materials Research

Highly Conjugated (Polypyridyl)metal−(Porphinato)zinc(II) Compounds: Long-Lived, High Oscillator Strength, Excited-State Absorbers Having Exceptional Spectral Coverage of the Near-Infrared

Timothy V. Duncan、Igor V. Rubtsov、H. Tetsuo Uyeda 等 4 位作者2004-07-14Journal of the American Chemical Society

Transient dynamical studies of ruthenium(II) [5-(4'-ethynyl-(2,2';6',2' '-terpyridinyl))-10,20-bis(2',6'-bis(3,3-dimethyl-1-butyloxy)phenyl)porphinato]zinc(II)-(2,2';6',2' '-terpyridine)2+ bis-hexafluorophosphate (Ru-PZn), osmium(II) [5-(4'-ethynyl-(2,2';6',2' '-terpyridinyl))-10,20-bis(2',6'-bis(3,3-dimethyl-1-butylo…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistryNonlinear Optical Materials Studies

A SPR and AFM study of the effect of surface heterogeneity on adsorption of proteins

Yu-Wen Huang、Vinay Gupta2004-07-14The Journal of Chemical Physics

The effect of chemical heterogeneity of surfaces on the adsorption of proteins was investigated using model surfaces prepared by self-assembly of omega-functionalized alkanethiols on gold substrates. Surface plasmon resonance was used to monitor the adsorption kinetics of bovine serum albumin (BSA) and the morphology…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresForce Microscopy Techniques and Applications

Single-crystalline gallium-doped indium oxide nanowires

Hye Jin Chun、Young Sang Choi、Seung Yong Bae 等 5 位作者2004-07-14Applied Physics Letters

High-density gallium (Ga)-doped indium oxide (In2O3) nanowires whose Ga content [Ga∕(In+Ga) atomic ratio] is 0%, 7%, and 45%, were synthesized by thermal evaporation. They have an average diameter of 50nm and consist of nearly single-crystalline cubic In2O3 structure with the [010] growth direction. High-resolution x-…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

The structural and optical behaviors of K-doped ZnO∕Al2O3(0001) films

Sung‐Kyu Kim、Shin Ae Kim、Changhee Lee 等 6 位作者2004-07-14Applied Physics Letters

K-doped ZnO films were prepared on Al2O3(0001) substrates by solution deposition. For the prepared thin films of Zn1−xKxO (x=0.002, 0.01, 0.02, 0.05, 0.1), we carried out x-ray diffraction, transmittance spectroscopy, photoluminescence, Hall measurement and x-ray photoemission spectroscopy study, and found that proper…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

Composite elastic magnet films with hard magnetic feature

Weisong Wang、Zhongmei Yao、Jackie C Chen 等 4 位作者2004-07-14Journal of Micromechanics and Microengineering

Hard magnetic materials with high remnant magnetic moment, M r , have unique advantages that can achieve bi-directional (push–pull) movement in an external magnetic field. This paper presents the results on the fabrication and testing of novel composite elastic permanent magnet films. The microsize hard barium ferrite…

Vibration Control and Rheological FluidsMagnetic Properties of AlloysCharacterization and Applications of Magnetic Nanoparticles

Die-upset hybrid Pr–Fe–B nanocomposite magnets

A.M. Gabay、Y. Zhang、G. C. Hadjipanayis2004-07-14Applied Physics Letters

Anisotropic nanocomposite R–Fe–B/Fe magnets (R=Pr, Tb) were synthesized by hot pressing and subsequent die upsetting blends of R-rich and R-lean melt-spun ribbons. The magnets have a layered structure, in which alternating layers of the two starting alloys lay perpendicularly to the pressing direction. A crystallograp…

Magnetic properties of thin filmsMagnetic Properties and ApplicationsMagnetic Properties of Alloys

Removal of a model protein foulant from metal surfaces

Hong Xin、Xiao Dong Chen、Necati Özkan2004-07-14AIChE Journal

Abstract Using precoated whey protein concentrate gel films as a model milk protein fouling material, the removal kinetics from the inner surface of a stainless steel tube were determined continuously and noninvasively by a rapid UV spectrophotometric method. The influences of temperature, flow velocity, and the amoun…

Polymer Surface Interaction StudiesCalcium Carbonate Crystallization and InhibitionRheology and Fluid Dynamics Studies

A Highly Luminescent Europium Complex Showing Visible‐Light‐Sensitized Red Emission: Direct Observation of the Singlet Pathway

Chi Yang、Li‐Min Fu、Yuan Wang 等 9 位作者2004-07-14Angewandte Chemie

Rotes Leuchten bei Tageslicht …︁ zur Freude des Chemikers! Effizient wird Anregungsenergie vom angeregten Singulettzustand des Liganden auf die lumineszierenden Zustände des koordinierten EuIII-Ions in 1 übertragen. Nach Anregung mit sichtbarem Licht zeigt der Komplex die charakteristische hellrote Eu-Emission mit ein…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesLanthanide and Transition Metal Complexes

One Pot Synthesis of Nanoparticles of Aqueous Colloidal Polyaniline and Its Au−Nanoparticle Composite from Monomer Vapor

Tridib K. Sarma、Arun Chattopadhyay2004-07-14The Journal of Physical Chemistry A

In this paper, we report a single pot synthesis of polyaniline nanoparticles and Au nanoparticle−polyaniline composite nanoparticles using vapor phase introduction of aniline monomer. The synthesis was carried out in a micellar medium using sodium dodecyl sulfate as the micelles. Also, H 2 O 2 was used both to reduce…

Organic Electronics and PhotovoltaicsElectrochemical sensors and biosensorsConducting polymers and applications

Remarkable differences in photoluminescent properties between LaPO4:Eu one-dimensional nanowires and zero-dimensional nanoparticles

Hongwei Song、Lixin Yu、Shaozhe Lü 等 6 位作者2004-07-14Applied Physics Letters

Photoluminescent properties of zero-dimensional LaPO4:Eu nanoparticles (NPs) and one-dimensional nanowires (NWs) prepared by the same wet-chemical synthesis technique were studied and compared. The results indicate that in NP Eu3+ occupied only one site, A, while in NW Eu3+ occupied the same site, A and an additional…

Luminescence Properties of Advanced MaterialsPerovskite Materials and ApplicationsElectronic and Structural Properties of Oxides

A DSC Study of α- and β-Relaxations in a PS−Clay System

Sergey Vyazovkin、Ion Dranca2004-07-14The Journal of Physical Chemistry B

Differential scanning calorimetry has been used to study the α -relaxation (glass transition) as well as β -relaxation (sub- T g relaxation) in both virgin polystyrene (PS) and PS−clay nanocomposite. The β -relaxations have been measured as a small endothermic peak that appears on heating of the samples previously ann…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties

Air-induced fluorescence bursts from single semiconductor nanocrystals

Johannes R. Soltwedel、John M. Lupton、Andrey L. Rogach 等 6 位作者2004-07-14Applied Physics Letters

We observe a dramatic enhancement of the fluorescence intensity from single core∕shell CdSe∕ZnS nanocrystals upon sudden exposure to air from an evacuated surrounding. Both the number of particles contributing to emission increases as well as the average emission intensity from a single particle, leading to an overall…

Quantum Dots Synthesis And PropertiesCarbon and Quantum Dots ApplicationsNanocluster Synthesis and Applications

The use of high aspect ratio photoresist (SU-8) for super-hydrophobic pattern prototyping

Neil J. Shirtcliffe、Sanaa Aqil、Carl Evans 等 7 位作者2004-07-14Journal of Micromechanics and Microengineering

In this work we present a reliable technique for the production of large areas of high aspect-ratio patterns and describe their use as model super-hydrophobic systems. The high thickness and straight sidewalls possible with SU-8 were used to generate dense patterns of small pillars. These photoresist patterns could be…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferElectrowetting and Microfluidic Technologies

An ab-initio theoretical investigation of the soft-magnetic properties of permalloys

S. Ostanin、J. B. Staunton、S. S. A. Razee 等 5 位作者2004-07-14arXiv

We study Ni80Fe20-based permalloys with the relativistic spin-polarized Korringa-Kohn-Rostoker electronic structure method. Treating the compositional disorder with the coherent potential approximation, we investigate how the magnetocrystalline anisotropy, K, and magnetostriction, lambda, of Ni-rich Ni-Fe alloys vary…

Materials Science

Numerical study of discrete models in the class of the nonlinear molecular beam epitaxy equation

Fabio D A Aarao Reis2004-07-14arXiv

We study numerically some discrete growth models belonging to the class of the nonlinear molecular beam epitaxy equation, or Villain-Lai-Das Sarma (VLDS) equation. The conserved restricted solid-on-solid model (CRSOS) with maximum heights differences H_m=1 and H_m=2 was analyzed in substrate dimensions d=1 and d=2. Th…

Materials Sciencecond-mat.stat-mech