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Static Properties of Homopolymer Melts in Confined Geometries Determined by Monte Carlo Simulation

R. S. Pai-Panandiker、John R. Dorgan、Tadeusz Pakuła1997-10-01Macromolecules

The static properties of a homopolymer melt between energetically neutral walls are studied as a function of the degree of confinement (plate spacing) and polymer molecular weight. The cooperative motion lattice model is used and allows all calculations to be performed at full occupancy (i.e., at a volume fraction of…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesRheology and Fluid Dynamics Studies

Catalytic Decomposition of Ammonium Nitrate in Superheated Aqueous Solutions

Joseph H. MacNeil、Haitao Zhang、Polly A. Berseth 等 4 位作者1997-10-01Journal of the American Chemical Society

The decomposition of aqueous ammonium nitrate at elevated temperatures and pressures is examined as a function of chloride, nitrate, and total acidity. Catalysis requiring both chloride and acid was observed in solutions containing 20% (w/w) NH 4 NO 3 at 180 °C. Nitrous oxide and dinitrogen were generated in a 4:1 rat…

Atmospheric chemistry and aerosolsCatalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen Reduction

X-ray Photoelectron Spectroscopic Characterization of Au Collected with Atom Trapping on Silica for Atomic Absorption Spectrometry

Şefik Süzer、Nusret Ertaş、Suat Kumser 等 4 位作者1997-10-01Applied Spectroscopy

The nature of analyte species collected on a cooled silica tube for atom-trapping atomic absorption spectrometric determination was investigated with the use of X-ray photoelctron spectroscopy (XPS). An XPS spectrum of gold deposited on atom-trapping silica tubes reveals a Au 4f 7/2 peak with a binding energy of 84.8…

Analytical chemistry methods developmentX-ray Spectroscopy and Fluorescence AnalysisElectron and X-Ray Spectroscopy Techniques

Electron–phonon interactions in CsCdBr3:Yb3+

Markus P. Hehlen、A. Kuditcher、Stephen C. Rand 等 4 位作者1997-10-01The Journal of Chemical Physics

Pronounced electron–phonon coupling is observed for the F7/22↔F5/22 4f transitions of Yb3+ doped into CsCdBr3. A comparison of the Raman spectrum and the luminescence excitation sideband accompanying the F7/22(0)→2F5/2(2′) crystal-field transition reveals vibrational properties of the [YbBr6] coordination unit that di…

Luminescence Properties of Advanced MaterialsSolid State Laser TechnologiesOptical properties and cooling technologies in crystalline materials

Synergistic, antagonistic and biocidal effects of amino (trimethylene phosphonic acid), polyacrylamide and Zn2+ on the inhibition of corrosion of mild steel in neutral aqueous environment

S. Rajendran、B.V. Apparao、N. Palaniswamy1997-10-01Anti-Corrosion Methods and Materials

The corrosion rates of mild steel in a neutral aqueous environment containing 60 ppm C1 ‐ in the absence and presence of the sodium salt of amino (trimethylene phosphonic acid) (ATMP), polyacrylamide (PAA) and Zn 2+ have been evaluated by the classical weight‐loss method. The formulation consisting of 50 ppm PAA and 5…

Corrosion Behavior and InhibitionAnalytical Chemistry and SensorsIron oxide chemistry and applications

First-principles calculations on the atomic and electronic structure ofκ−Al2O3

Yashar Yourdshahyan、C. Ruberto、Lennart Bengtsson 等 4 位作者1997-10-01Physical review. B, Condensed matter

The atomic and electronic structure and other structural properties of the metastable \ensuremath{\kappa} phase of ${\mathrm{Al}}_{2}{\mathrm{O}}_{3}$ have been investigated with a first-principles total-energy method based on density-functional theory at the local-density-approximation level, plane waves, and pseudop…

Ferroelectric and Piezoelectric MaterialsNuclear materials and radiation effectsX-ray Diffraction in Crystallography

Copolymerization of elemental sulfur with cyclic(arylene disulfide) oligomers

Yong Ding、Allan S. Hay1997-10-01Journal of Polymer Science Part A Polymer Chemistry

Copolymerization reactions between cyclic(arylene disulfide) oligomers were studied. The cyclic disulfide oligomers derived from 4,4′-isopropylidene bisbenzenethiol gave soluble polysulfanes via copolymerization with S8. The copolymerization reactions were studied both in solution and melt by GPC and NMR. Solution cop…

Organic Electronics and PhotovoltaicsFiber-reinforced polymer compositesSynthesis and properties of polymers

Conversion of Diaspore to Corundum: A New α‐Alumina Transformation Sequence

A. H. Carim、Gregory S. Rohrer、Neal R. Dando 等 6 位作者1997-10-01Journal of the American Ceramic Society

A new two‐step transformation sequence has been identified for the conversion of diaspore (α‐AlOOH) to corundum (alpha‐Al 2 O 3 ). The powder X‐ray diffraction pattern of the intermediate phase, designated alpha'‐Al 2 O 3 , has been indexed to a monoclinic (P2) cell, with a = 9.566(5) Å, b = 5.124(2) Å, c = 9.156(4) Å…

Glass properties and applicationsClay minerals and soil interactionsMineralogy and Gemology Studies

Structures and Energetics Study of Tetrathiafulvalene-Based Donors of Organic Superconductors

Ersan Demiralp、William A. Goddard1997-10-01The Journal of Physical Chemistry A

The donors of the best organic superconductors are all based on organic donor molecules (X) containing a core of tetrathiafulvalene (TTF) or a Se-substituted derivative. In this paper, we present ab initio quantum mechanical calculations (HF, MP2, and DFT using the 6-31G** basis) for the optimized structures and other…

Physics of Superconductivity and MagnetismMagnetism in coordination complexesOrganic and Molecular Conductors Research

Localized Fracture in Inelastic Polycrystalline Solids under Dynamic Loading Processes

Tomasz Łodygowski、P. Perzyna1997-10-01International Journal of Damage Mechanics

The main objective of the paper is the investigation of adiabatic shear band localized fracture phenomenon in inelastic solids during dynamic loading processes. This kind of fracture can occur as a result of an adiabatic shear band localization generally attributed to a plastic instability implied by micro-damage and…

High-Velocity Impact and Material BehaviorGeotechnical and Geomechanical EngineeringMaterial Properties and Failure Mechanisms

Metal Propionate Synthesis of Magnetoresistive La 1−x (Ca,Sr) x MnO 3 Thin Films

Ulrich Hasenkox、Carsten Mitze、Rainer Waser1997-10-01Journal of the American Ceramic Society

A flexible chemical solution deposition (CSD) method for the preparation of magnetoresistive La 1−x (Ca,Sr)x MnO 3 thin films based completely on metal propionates is pre‐sented.A number of polycrystalline thin films with varying stoichiometries were deposited on different substrate ma‐terials at temperatures between…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsAdvanced Condensed Matter Physics

ADMET Modeling of Branching in Polyethylene. The Effect of a Perfectly-Spaced Methyl Group

Kenneth B. Wagener、Dominick J. Valenti、Stephen F. Hahn1997-10-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTADMET Modeling of Branching in Polyethylene. The Effect of a Perfectly-Spaced Methyl GroupKenneth B. Wagener, Dominick Valenti, and Stephen F. HahnView Author Information Department of Chemistry, The George and Josephine Butler Poly…

Polymer crystallization and propertiesTheoretical and Computational PhysicsRheology and Fluid Dynamics Studies

Entropy-driven phase separation in mixtures of small colloidal particles and semidilute polymers

Richard P. Sear1997-10-01Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

We study mixtures of polymer solutions with particles whose diameter is much smaller than the radius of gyration of the polymer. They are found to demix when the polymer is semidilute and its correlation length is approximately equal to the particle's diameter. Protein purification using polymer solutions is shown not…

Material Dynamics and PropertiesSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Electrical and mechanical properties of ferroelectric thin films laser ablated from a Pb0.97Nd0.02(Zr0.55Ti0.45)O3 target

Jyrki Lappalainen、Johannes Frantti、V. Lantto1997-10-01Journal of Applied Physics

Ferroelectric Nd-modified lead-zirconate-titanate (PZT) thin films were fabricated as capacitor structures with platinum electrodes using pulsed laser ablation deposition. Single-crystal MgO (100) and thermally oxidized Si (100) were used as substrates. The ablation processes were carried out at room temperature in a…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesElectronic and Structural Properties of Oxides

Microstructure and Phase Stability of Yttria‐Doped Tetragonal Zirconia Polycrystals Heat Treated in Nitrogen Atmosphere

Tai‐Joo Chung、Huesup Song、Gyeungho Kim 等 4 位作者1997-10-01Journal of the American Ceramic Society

The low‐temperature degradation of zirconia (ZrO 2 ) that was doped with 3 mol% yttria (Y 2 O 3 ) (3Y‐TZP) was prevented by the heat treatment of sintered specimens in nitrogen. The heat treatment of sintered specimens resulted in a surface layer that was stabilized by nitrogen ions, whereas the interior was only slig…

Advanced ceramic materials synthesisAdvancements in Solid Oxide Fuel CellsNuclear materials and radiation effects

An optoelectronic control of arc gap during formation of fullerenes and carbon nanotubes

H. Lange、Piotr Baranowski、A. Huczko 等 4 位作者1997-10-01Review of Scientific Instruments

An automated system for controlling the interelectrode gap of the carbon arc and positioning the plasma, constructed from commercially available components, is described. The core components of the system are the linear photodetector array, analog, and digital integrated circuits, and two direct current motors. It all…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchFullerene Chemistry and Applications

On the flexoelectric effect in nematics

Per Rudquist、S. T. Lagerwall1997-10-01Liquid Crystals

Flexoelectricity is a general and fundamental phenomenon in liquid crystals. It describes the linear coupling between an applied electric field and gradients in the director field. Whereas flexoelectricity has for decades been regarded as only of academic interest, we think it is time to point out its considerable app…

Liquid Crystal Research AdvancementsForce Microscopy Techniques and ApplicationsAdvanced Materials and Mechanics

New Chitin-Based Polymer Hybrids. 2. Improved Miscibility of Chitin Derivatives Having Monodisperse Poly(2-methyl-2-oxazoline) Side Chains with Poly(vinyl chloride) and Poly(vinyl alcohol)

Keigo Aoi、Akinori Takasu、Masahiko Okada1997-10-01Macromolecules

A chitin derivative having monodisperse 1 poly(2-alkyl-2-oxazoline) side chains, i.e., chitin- graft -poly(2-methyl-2-oxazoline) ( 1 ), was examined for miscibility with the commodity polymers poly(vinyl chloride) (PVC) and poly(vinyl alcohol) (PVA). The miscibility of the blends was investigated by differential scann…

Polymer Nanocomposites and PropertiesAdvanced Physical and Chemical Molecular InteractionsMaterial Properties and Processing

Microstructure transformation and stress‐strain behavior of isotactic polypropylene under large plastic deformation

C. G’Sell、V. Favier、J.M. Hiver 等 6 位作者1997-10-01Polymer Engineering and Science

Abstract The macroscopic stress‐strain behavior of monoclinic polypropylene samples was investigated at 70°C under uniaxial tension and simple shear by means of a special videometric testing system that gives access to the constitutive equation of plastic behavior at constant strain rate up to large deformation. At se…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesNatural Fiber Reinforced Composites

Particle Growth during Calcination of Polycation Oxides Synthesized by the Polymeric Precursors Method

Edson R. Leite、Marcos A.L. Nobre、Marinalva Cerqueira 等 5 位作者1997-10-01Journal of the American Ceramic Society

The particle‐growth kinetics of sodium niobate and zirconium titanate powders that were processed by the polymeric precursors method were studied. The growth kinetics that were studied for the particle, in the final stage of crystallization, showed that the growth process occurs in two different stages. For temperatur…

Catalytic Processes in Materials ScienceThermal and Kinetic AnalysisPigment Synthesis and Properties