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Eigenstates and transmission coefficients of finite-sized carbon nanotubes

Steven Compernolle、Liviu F. Chibotaru、Arnout Ceulemans2003-07-17The Journal of Chemical Physics

The tight-binding eigenstates of isolated finite-sized zigzag and armchair nanotubes are obtained analytically using the transfer matrix method. Edge states are encountered for zigzag tubes but not for armchair tubes. Inclusion of curvature leads to a decaying-oscillating behavior of the highest occupied and lowest un…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Water’s Tg-endotherm, sub-Tg peak of glasses and Tg of water

G. P. Johari2003-07-17The Journal of Chemical Physics

In our studies of Tg of amorphous forms of water, it had been ascertained that the observed endotherm had the characteristics of glass softening and not those of a sub-Tg peak, but an explicit discussion was not provided. To prevent this Tg-endotherm from being mistaken as part of a sub-Tg peak, we use our earlier dat…

Material Dynamics and PropertiesGlass properties and applicationsTheoretical and Computational Physics

Large coercivity in nanocrystalline TbMn6Sn6permanent magnets prepared by mechanical milling

Hongwei Zhang、Tongyun Zhao、Jian Zhang 等 8 位作者2003-07-17Journal of Physics D Applied Physics

Isotropic TbMn 6 Sn 6 was prepared by mechanical milling and subsequent annealing. Although the crystalline grain size was a little larger than 15 nm, no remanence enhancement resulting from intergrain exchange coupling was observed. The coercivity μ 0 H c = 0.96 T at 293 K was much larger than that expected from magn…

Magnetic properties of thin filmsHydrogen Storage and MaterialsMagnetic Properties of Alloys

Characterization of the interaction of poly(ethylene oxide) with nanosize fumed silica: Surface effects on crystallization

Jiang Ding、Prithwiraj Maitra、Stephanie L. Wunder2003-07-17Journal of Polymer Science Part B Polymer Physics

Abstract Poly(ethylene oxide) (PEO) of 4600 molar mass (PEO‐4600) was crystallized from methanol in the presence of hydrophilic fumed silicas (A380, A200, and OX50) with nominal surface areas of 380, 200, and 50 m 2 /g and a hydrophobic fumed silica (R812s) modified with methyl groups. The composites were characterize…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Effect of the Sixth Axial Ligand in CS-Ligated Iron(II)octaethylporphyrinates: Structural and Mössbauer Studies

Changsheng Cao、Sanjay Dahal、Mayou Shang 等 7 位作者2003-07-17Inorganic Chemistry

The effect of a sixth ligand in a series of low-spin thiocarbonyl-ligated iron(II)octaethylporphyrinates has been investigated. Six-coordinate complexes have been synthesized and characterized by Mössbauer and infrared spectroscopy and single-crystal X-ray structure determinations. The results are compared with the fi…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsPorphyrin Metabolism and Disorders

Dependence on sphere size of the phase behavior of mixtures of rods and spheres

Naohito Urakami、Masayuki Imai2003-07-17The Journal of Chemical Physics

By the addition of chondroitin sulfate (Chs) to the aqueous suspension of tobacco mosaic virus (TMV), the aggregation of TMV occurs at very dilute TMV concentration compared with the addition of polyethylene oxide (PEO). The difference of physical behavior between Chs and PEO is the chain conformation in solution. The…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsPolysaccharides and Plant Cell Walls

Large magnetic entropy change and magnetic properties in La (Fe 1- x Mn x ) 11.7 Si 1.3 H y compounds

Wang Fang、Chen Yuan-Fu、Guangjun Wang 等 5 位作者2003-07-17Chinese Physics

Magnetic properties and magnetic entropy change in La (Fe 1- x Mn x ) 11.7 Si 1.3 H y compounds have been investigated. A significant increase of the Curie temperature T C and a small increase of the saturation magnetizations µ S have been observed after the introduction of interstitial H, which caused a slight volume…

Advanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds

High-pressure x-ray diffraction studies of the nanostructured transparent vitroceramic mediumK2O−SiO2−Ga2O3

K.E. Lipinska-Kalita、Bin Chen、Michael Krüger 等 6 位作者2003-07-17Physical review. B, Condensed matter

Synchrotron-radiation-based, energy-dispersive x-ray-diffraction studies have been performed on a composite containing nanometer-size aggregates embedded in an amorphous matrix, in the pressure range from ambient up to 15 GPa. The optically transparent material containing $\ensuremath{\beta}\ensuremath{-}{\mathrm{Ga}}…

Luminescence Properties of Advanced MaterialsFerroelectric and Piezoelectric MaterialsGa2O3 and related materials

Insights into Structure and Mechanical Behavior of α and γ Crystal Forms of Nylon-6 at Low Strain by Infrared Studies

Leslie S. Loo、Karen K. Gleason2003-07-17Macromolecules

Stress-induced frequency shifts of spun-cast nylon-6 films with α and γ crystals are studied at low strains with particular emphasis on vibrations related to hydrogen bonding and to the methylene chains. With increasing stress in the α films, there is a frequency increase of the NH stretching mode in the crystals wher…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesCrystallography and molecular interactions

Characterization of cellular carriers for use in injectable tissue‐engineering composites

Jonathan B. McGlohorn、Larry Grimes、Shannon S. Webster 等 4 位作者2003-07-17Journal of Biomedical Materials Research Part A

Injectable composite tissue-engineering scaffolds are systems that incorporate individual cell carriers within a gel delivery matrix. This study assessed low-temperature casting as a possible method to produce synthetic cell-carrier beads. Porous poly-L-lactide beads were manufactured by low-temperature casting. Two p…

biodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative Medicine

Silylation Reaction of Dextran: Effect of Experimental Conditions on Silylation Yield, Regioselectivity, and Chemical Stability of Silylated Dextrans

Cécile Nouvel、Philippe Dúbois、Edith Dellacherie 等 4 位作者2003-07-17Biomacromolecules

The controlled synthesis of biodegradable copolymers of dextran grafted with aliphatic polyesters first requires the preparation of polysaccharide derivatives soluble in organic solvents. Silylation of dextran can thus lead to such organosoluble derivatives and allows the polymerization of cyclic esters initiated from…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMuon and positron interactions and applications

General features of the energy landscape in Lennard-Jones-like model liquids

Luca Angelani、Giancarlo Ruocco、M. Sampoli 等 4 位作者2003-07-17The Journal of Chemical Physics

Features of the energy landscape sampled by supercooled liquids are numerically analyzed for several Lennard-Jones-like model systems. The properties of quasisaddles (minima of the square gradient of potential energy W=|∇V|2), are shown to have a direct relationship with the dynamical behavior, confirming that the qua…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesAdvanced Thermodynamics and Statistical Mechanics

Visualization of Active Surface Molecular Motion in Polystyrene Film by Scanning Viscoelasticity Microscopy

Keiji Tanaka、K. Hashimoto、Tisato Kajiyama 等 4 位作者2003-07-17Langmuir

A monodisperse polystyrene (PS) film was spin-coated on a silicon wafer with native oxide layer and was in part scratched by a blade. Then, the surface modulus on a given area, in which PS and bared silicon were present, was two-dimensionally mapped as a function of temperature by scanning viscoelasticity microscopy.…

Material Dynamics and PropertiesForce Microscopy Techniques and ApplicationsAdhesion, Friction, and Surface Interactions

Sharp Polyelectrolyte Adsorption Cutoff Induced by a Monovalent Salt

Nanthiya Hansupalak、Maria M. Santore2003-07-17Langmuir

This work documents a sharp adsorption cutoff for a cationic polymer (poly(dimethylamino ethyl methacrylate)) adsorbing onto a negative surface (silica) from buffered aqueous solution, as a function of ionic strength. In this system, electrostatic attractions drive adsorption, without contribution from chemical or hyd…

Polymer Surface Interaction StudiesAnalytical Chemistry and SensorsElectrostatics and Colloid Interactions

Electro-optic properties of potassium hydrogen phthalate crystal and its application as modulators

N. Kejalakshmy、K. Srinivasan2003-07-17Journal of Physics D Applied Physics

Potassium hydrogen phthalate crystal is a good nonlinear optical system. Its electro-optic coefficient r 131 is measured for a wavelength of 670 nm and it is found to be of the order of that of urea crystal (1.06 pm V −1 ). The dispersion study for the effective Pockels coefficients r eff = r 113 − r 112 , is carried…

Nonlinear Optical Materials ResearchSolid-state spectroscopy and crystallographyOptical and Acousto-Optic Technologies

Synthesis, Characterization, and Catalytic Activity of Mesostructured Titanosilicates Assembled from Polymer Surfactants with Preformed Titanosilicate Precursors in Strongly Acidic Media

Xiangju Meng、Defeng Li、Xiaoyu Yang 等 9 位作者2003-07-17The Journal of Physical Chemistry B

Novel mesostructured titanosilicates designated as MTS-9 have been successfully synthesized from assembly of preformed nanosized titanosilicate precursors with polymer surfactants. Mesoporous MTS-9 shows highly hydrothermal stability in boiling water (over 120 h) as compared with that of Ti−MCM-41 and SBA-15. In pheno…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

Deformation of Nanoscopic Polymer Structures in Response to Well‐Defined Capillary Forces

Mark P. Stoykovich、Hongnan Cao、Kenji Yoshimoto 等 5 位作者2003-07-17Advanced Materials

The development of strategies to measure the properties of materials with nanoscopic dimensions is a necessary but challenging topic in nanoscale science and technology. Here, combinatorial arrays of specially designed test structures are used to quantify the deformation of micro‐ and nanoscale polymer beams in respon…

Carbon Nanotubes in CompositesSurface Modification and SuperhydrophobicityPolymer Surface Interaction Studies

Molecular Structures, Bond Energies, and Bonding Analysis of Group 11 Cyanides TM(CN) and Isocyanides TM(NC) (TM = Cu, Ag, Au)

Oliver Dietz、Víctor M. Rayón、Gernot Frenking2003-07-17Inorganic Chemistry

We report on quantum chemical calculations at the DFT (BP86/TZP) and ab initio (CCSD(T)/III+) levels of the title compounds. The geometries, vibrational spectra, heats of formation, and homolytic and heterolytic bond dissociation energies are given. The calculated bond length of Cu-CN is in reasonable agreement with e…

Advanced Chemical Physics StudiesMagnetism in coordination complexesOrganic and Molecular Conductors Research

Mineralization of Carbon from Sewage Sludge in Three Soils of the Argentine Pampas

Silvana Irene Torri、Roberto Álvarez、Raúl S. Lavado2003-07-17Communications in Soil Science and Plant Analysis

The mineralization of carbon from sewage sludge was studied in a pot experiment during an aerobic incubation with three representative soils of the Pampean Region of Argentina. Surface horizons (0–15 cm) from a Typic Hapludoll, a Typic Natraquoll and a Typic Argiudoll were used. Samples were collected a year after slu…

Soil Carbon and Nitrogen DynamicsSoil and Unsaturated FlowClay minerals and soil interactions

Numerical simulation of mold filling in foam reaction injection molding

Dongjin Seo、Jae Ryoun Youn、Charles L. Tucker2003-07-17International Journal for Numerical Methods in Fluids

Abstract A numerical simulation of reaction injection molding (RIM) of polymeric foam is developed, using a finite volume method (FVM). In this study we predict mold filling with a variable‐density fluid that fills a mold by self‐expansion. We deal with two‐dimensional, isothermal cases. With the assumptions of ideal…

Rheology and Fluid Dynamics StudiesInjection Molding Process and PropertiesPolymer Foaming and Composites