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Phonons and Lattice Dielectric Properties of Zirconia

Xinyuan Zhao、David Vanderbilt2001-08-29arXiv

We have performed a first-principles study of the structural and vibrational properties of the three low-pressure (cubic, tetragonal, and especially monoclinic) phases of ZrO2, with special attention to the computation of the zone-center phonon modes and related dielectric properties. The calculations have been carrie…

Materials Science

Electron diffraction study of one-dimensional crystals of fullerenes

Kaori Hirahara、Shunji Bandow、Kazu Suenaga 等 7 位作者2001-08-29Physical review. B, Condensed matter

A variety of fullerene molecules are found to be fully packed in the interior space of a single-wall carbon nanotube (SWNT) and form a novel one-dimensional crystal with a regular intermolecular distance. Using electron diffraction, we have successfully measured the ``lattice constants'' for these crystals of various…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Diffraction line profiles from polydisperse crystalline systems

Paolo Scardi、Matteo Leoni2001-08-29Acta Crystallographica Section A Foundations of Crystallography

Diffraction patterns for polydisperse systems of crystalline grains of cubic materials were calculated considering some common grain shapes: sphere, cube, tetrahedron and octahedron. Analytical expressions for the Fourier transforms and corresponding column-length distributions were calculated for the various crystal…

Glass properties and applicationsAdvanced X-ray Imaging TechniquesX-ray Diffraction in Crystallography

Properties of a Ubiquitous 29 kDa Au:SR Cluster Compound

T. Gregory Schaaff、Marat N. Shafigullin、Joseph T. Khoury 等 5 位作者2001-08-29The Journal of Physical Chemistry B

The broad, intense peak found near 29 kDa in the laser-desorption mass-spectral abundances of various aurothiol (Au: SR) cluster compounds has been used to optimize the preferential formation of the species in that mass range. Recrystallization gives enriched fractions, on the 10 mg scale, that in several cases appear…

Quantum Dots Synthesis And PropertiesMolecular Junctions and NanostructuresNanocluster Synthesis and Applications

Self-Assembled Monolayers That Resist the Adsorption of Proteins and the Adhesion of Bacterial and Mammalian Cells

Emanuele Ostuni、Robert Chapman、Michael N. Liang 等 7 位作者2001-08-29OpenAlex

This paper examines the hypothesis that surfaces resistant to protein adsorption should also be resistant to the adhesion of bacteria ( Staphylococcus aureus, Staphylococcus epidermidis ) and the attachment and spreading of mammalian cells (bovine capillary endothelial (BCE) cells). The surfaces tested were those of s…

Lipid Membrane Structure and BehaviorPolymer Surface Interaction StudiesNanofabrication and Lithography Techniques

The physics of manganites: Structure and transport

M. B. Salamon、M. Jaime2001-08-29OpenAlex

The fundamental physical properties of doped ${\mathrm{LaMnO}}_{3},$ generically termed ``manganites,'' and much of the underlying physics, were known more than 40 years ago. This article first reviews progress made at that time, the concept of double exchange in particular, and points out the missing elements that ha…

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

Synthesis of Homo- and Heteroprotected Furcated Units for Modular Chemistry

Adi Dahan、Moshe Portnoy2001-08-28The Journal of Organic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTSynthesis of Homo- and Heteroprotected Furcated Units for Modular ChemistryAdi Dahan and Moshe PortnoyView Author Information School of Chemistry, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel-Aviv University, Tel-Aviv 69978, Israel [email protected]Cite this: J. O…

Chemical Synthesis and AnalysisSynthetic Organic Chemistry MethodsDendrimers and Hyperbranched Polymers

Multiwavelength anomalous diffraction analysis at the M absorption edges of uranium

Yee Liu、Craig M. Ogata、Wayne A. Hendrickson2001-08-28Proceedings of the National Academy of Sciences

The multiwavelength anomalous diffraction (MAD) method for phase evaluation is now widely used in macromolecular crystallography. Successful MAD structure determinations have been carried out at the K or L absorption edges of a variety of elements. In this study, we investigate the anomalous scattering properties of u…

Protein Structure and DynamicsEnzyme Structure and FunctionX-ray Spectroscopy and Fluorescence Analysis

Nanotube Effect on a Liquid-Phase Photoreaction in Mesoporous Silica

Yoshinari Konishi、Masaharu Okazaki、Kazumi Toriyama 等 4 位作者2001-08-28The Journal of Physical Chemistry B

The photoreaction of xanthone in an alcoholic solution flowing through a column reactor filled with the mesoporous silica MCM-41 was performed. It was found that the product yields depend greatly on both the pore size of the filler and the nature of the solvent. The product yields of this reaction, which involves a pa…

Mesoporous Materials and CatalysisPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies

Assessment of efficacy of trivalent lanthanum complex as surface modifier of calcium carbonate

Jiachun Feng、Mingcai Chen、Zhi‐Tang Huang2001-08-28Journal of Applied Polymer Science

Abstract A complex of trivalent lanthanum stearate with stearin (REC) was used as a surface modifier to treat calcium carbonate, and its efficacy was assessed. The measurement of the viscosity of a CaCO 3 /liquid paraffin suspension demonstrated that REC treatment could considerably improve the dispersion of filler in…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Collective dynamics in liquid lead. II. Mode contributions to time correlation functions

Taras Bryk、I. M. Mryglod2001-08-28Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Mode contributions of different collective excitations to the density-density time correlation function in liquid lead are studied within the nine-variable approach of generalized collective modes. It is shown, that a kinetic relaxing mode, caused by slow density fluctuations, defines almost completely the shape of de…

Material Dynamics and PropertiesSpectroscopy and Quantum Chemical StudiesAdvanced Thermodynamics and Statistical Mechanics

A Concise Set of “Large”, Symmetric Molecules for Evaluation of Modern Computational Methods

Robert A. Pascal2001-08-28The Journal of Physical Chemistry A

The structures of a series of strained in -cyclophanes, for which good X-ray data are available, were calculated by using a variety of ab initio and hybrid density functional (HDFT) methods. The HDFT methods were found to overestimate systematically the transannular nonbonded contact distances in these molecules. A co…

Advanced Chemical Physics StudiesProtein Structure and DynamicsMachine Learning in Materials Science

Mooney scorch time and cure index of epoxidized natural rubber in presence of sodium carbonate

B. T. Poh、E.-K. Tan2001-08-28Journal of Applied Polymer Science

Abstract The effect of sodium carbonate on the Mooney scorch time and cure index of epoxidized natural rubber (ENR 50) was studied with concentrations of 0–2 phr and 100–160°C temperatures. A conventional vulcanization system based on an ASTM formulation was used throughout the investigation on the gum and carbon blac…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingSynthesis and properties of polymers

Properties and morphology of poly(ethylene terephthalate) and high‐density polyethylene blends

Carlos Guerrero、Tomás Lozano、Virgilio Ángel González González 等 4 位作者2001-08-28Journal of Applied Polymer Science

Abstract Blends of poly(ethylene terephthalate) (PET) and high‐density polyethylene (HDPE) with and without a compatibilizing agent were studied. Both materials are widely used in the soft drink bottle industry. The compatibilizing agent was a copolymer of ethylene and methacrylic acid partially neutralized with zinc…

Polymer crystallization and propertiesNatural Fiber Reinforced CompositesMaterial Properties and Processing

Colossal magnetoresistance in the layered chromium sulfideCr2S3−x(x=0.08)

Paz Vaqueiro、Anthony V. Powell、A. I. Coldea 等 8 位作者2001-08-28Physical review. B, Condensed matter

We report structural, magnetic, and magnetotransport properties of the two-dimensional chromium sulfide ${\mathrm{Cr}}_{2}{\mathrm{S}}_{2.92},$ which contains both ${\mathrm{Cr}}^{3+}$ and ${\mathrm{Cr}}^{2+}$ ions. Below its magnetic-ordering temperature ${(T}_{N}=118 \mathrm{K}),$ ${\mathrm{Cr}}_{2}{\mathrm{S}}_{2.9…

Magnetic and transport properties of perovskites and related materialsCrystal Structures and PropertiesAdvanced Condensed Matter Physics

Effects of composition drift on the effectiveness of random copolymer reinforcement at polymer–polymer interfaces

Jason J. Benkoski、Glenn H. Fredrickson、Edward J. Krämer2001-08-28Journal of Polymer Science Part B Polymer Physics

Abstract Random copolymer layers are surprisingly effective at reinforcing polymer–polymer interfaces. One hypothesis is that composition drift during synthesis can account for the higher than expected toughening. To test this hypothesis, we polymerized a series of poly( d ‐styrene‐ r ‐2‐vinylpyridine) (dPS f ‐ r ‐PVP…

Asphalt Pavement Performance EvaluationCorrosion Behavior and InhibitionPolymer crystallization and properties

Zero-Magnetization Ferromagnet Proven by Helicity-Switching Compton Scattering

H. Adachi、Hiroshi Kawata、Hiroyuki Hashimoto 等 6 位作者2001-08-28Physical Review Letters

A single crystal of gadolinium-doped SmAl(2) has zero magnetization in the midst of the ordered temperature region, despite the probable ferromagnetic spin ordering. The asymmetry in Compton-scattering intensity when switching between right- and left-handed polarization of incident 150-keV synchrotron radiation provid…

Magnetic properties of thin filmsRare-earth and actinide compoundsMagnetic Properties of Alloys

Brownian Dynamics Simulations of the Growth of Metal Nanocrystal Ensembles on Electrode Surfaces in Solution: 2. The Effect of Deposition Rate on Particle Size Dispersion

Reginald M. Penner2001-08-28The Journal of Physical Chemistry B

An adaptation of the Brownian dynamics simulation method has been used to model the growth of a particular 200-particle ensemble of silver nanoparticles. This ensemble of particles was randomly positioned on an electrode of total area 1.0 × 10 -9 cm 2, and these particles possessed a significant size distribution. The…

Gold and Silver Nanoparticles Synthesis and ApplicationsSpectroscopy and Quantum Chemical Studiesnanoparticles nucleation surface interactions

Multipurpose imaging-plate camera forin situpowder XRD at the GILDA beamline

Carlo Meneghini、Gilberto Artioli、A. Balerna 等 6 位作者2001-08-28Journal of Synchrotron Radiation

An Imaging-Plate (IP) camera for X-ray powder diffraction (XRPD) experiments was installed on the synchrotron radiation beamline GILDA at the ESRF. The IP camera can be used in fixed data-collection mode of the whole diffraction rings, or in translation mode for time-dependent experiments. The apparatus is ideal for c…

Advanced X-ray Imaging TechniquesX-ray Spectroscopy and Fluorescence AnalysisX-ray Diffraction in Crystallography