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Ab initiostudy of the phase diagram of epitaxialBaTiO3

Oswaldo Diéguez、Silvia Tinte、A. Antons 等 7 位作者2004-06-08Physical Review B

Using a combination of first-principles and effective-Hamiltonian approaches, we map out the structure of ${\text{BaTiO}}_{3}$ under epitaxial constraints applicable to growth on perovskite substrates. We obtain a phase diagram in temperature and misfit strain that is qualitatively different from that reported by Pert…

Ferroelectric and Piezoelectric MaterialsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Structures of Human Cytosolic NADP-dependent Isocitrate Dehydrogenase Reveal a Novel Self-regulatory Mechanism of Activity

Xiang Xu、Jingyue Zhao、Zhen Xu 等 7 位作者2004-06-08OpenAlex

Isocitrate dehydrogenases (IDHs) catalyze the oxidative decarboxylation of isocitrate to alpha-ketoglutarate, and regulation of the enzymatic activity of IDHs is crucial for their biological functions. Bacterial IDHs are reversibly regulated by phosphorylation of a strictly conserved serine residue at the active site.…

Metabolism and Genetic DisordersEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Zinc oxide nanostructures: growth, properties and applications

Zhong Lin Wang2004-06-08OpenAlex

Zinc oxide is a unique material that exhibits semiconducting and piezoelectric dual properties. Using a solid–vapour phase thermal sublimation technique, nanocombs, nanorings, nanohelixes/nanosprings, nanobelts, nanowires and nanocages of ZnO have been synthesized under specific growth conditions. These unique nanostr…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsNanowire Synthesis and Applications

White micas with mixed interlayer occupancy: a possible cause of pitfalls in applying illite Kubler index ("crystallinity") for the determination of metamorphic grade

Péter Árkai、Kenneth J. T. Livi、Martin Frey 等 5 位作者2004-06-07European Journal of Mineralogy

Integrated microstructural observations, X-ray powder diffractometric (XRPD) modal composition, illite Kubler index and chlorite “crystallinity” determinations and vitrinite reflectance measurements were carried out on marly slates from selected profiles of the Helvetic zone of the Central Alps, Switzerland. The studi…

Geological and Geochemical AnalysisCrystal Structures and PropertiesClay minerals and soil interactions

Morphogenesis and Nonequilibrium Pattern Formation in two-dimensional Polymer Crystallization

Jens‐Uwe Sommer、Günter Reiter2004-06-07Phase Transitions

Polymer crystallization is discussed in the context of nonequilibrium structure formation. In particular, we focus on the morphogenesis of polymer crystals during growth and annealing processes. We combine observations on quasi-two-dimensional polymer films, mainly obtained with atomic force microscopy, with computer…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesBlock Copolymer Self-Assembly

A Facile Synthesis of CdSe and CdTe Nanorods Assisted by Myristic Acid

Wei Nie、Lijia An、Bingzheng Jiang 等 4 位作者2004-06-07Chemistry Letters

Abstract A simple, productive, low-cost route has been developed to synthesize the high-quality 1-D nanorods of CdE (E = Se, Te) with 3–8 nm in diameter and 5–40 nm in length using myristic acid as a complexing agent. Moreover, the reaction is performed under mild conditions and relatively low temperatures. The X-ray…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsNanowire Synthesis and Applications

Reversible Optical Rotation Change According to the Enantiospecific Photochromic Reaction of [2.2]Metacyclophan-1-ene

Michinori Takeshita、Takehiko Yamato2004-06-07Chemistry Letters

Abstract Chiral [2.2]metacyclophan-1-ene undergoes an enantiospecific photochromic reaction along with a photoreversible optical rotation change at the wavelength where both photoisomers never absorb. This enables us to carry out a non-destructive read-out of the photomemory made by the photochromic [2.2]metacyclophan…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

Crystal structure of filatovite, K(Al,Zn)2(As,Si)2O8, the first arsenate of the feldspar group

С. К. Филатов、Sergey V. Krivovichev、Peter C. Burns 等 4 位作者2004-06-07European Journal of Mineralogy

The crystal structure of filatovite, K[(Al,Zn) 2 (As,Si) 2 O 8 ] (monoclinic, I 2/ c , a = 8.772(1), b = 13.370(2), c = 14.690(2) A, β = 115.944(6)°, V = 1549.1(4) A 3 ) has been solved by direct methods and refined to R 1 = 0.033 on the basis of 1959 unique observed reflections with | F o | ≥ 4σ F . It is isotypic wi…

Crystal Structures and PropertiesClay minerals and soil interactionsChemical Synthesis and Characterization

Preparation of Water-soluble PEGylated Semiconductor Nanocrystals

Eui-Chul Kang、Atsuhiko Ogura、Kazunori Kataoka 等 4 位作者2004-06-07Chemistry Letters

Abstract We describe the synthesis of water-soluble PEGylated semiconductor nanocrystals and the characterization of their optical properties and colloidal stability by fluorescence and UV spectrometers. The fluorescence intensity of PEGylated CdSe/ZnS in PBS buffer was observed to be 75% of the initial values of conv…

ZnO doping and propertiesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Filatovite, K(Al, Zn)2(As, Si)2O8, a new mineral species from the Tolbachik volcano, Kamchatka peninsula, Russia

L. P. Vergasova、Sergey V. Krivovichev、Sergey N. Britvin 等 5 位作者2004-06-07European Journal of Mineralogy

Filatovite, ideally K((Al,Zn)2(As,Si)2O8), has been found in products of fumarolic activity on the second cinder cone of the North breach of the great fissure Tolbachik eruption (1975-76, Kamchatka peninsula, Russia). The mineral occurs as pris- matic crystals up to 0.3 mm and as intergrowths of crystals, in associati…

Geological and Geochemical AnalysisCrystal Structures and PropertiesMineralogy and Gemology Studies

Mathematical modeling and kinetic parameter estimation in batch crystallization

P.A. Quintana-Hernández、E. Bolaños‐Reynoso、B. Miranda‐Castro 等 4 位作者2004-06-07AIChE Journal

Abstract A dynamic model of a batch crystallizer was used to estimate the kinetic parameters in a sugar cane crystallization process. The mathematical model included mass, energy, and population balance differential equations, and empirical relationships (power‐law–type) for nucleation, growth, and production–reductio…

Process Optimization and IntegrationCrystallization and Solubility StudiesFreezing and Crystallization Processes

Reliability-driven layout decompaction for electromigration failure avoidance in complex mixed-signal IC designs

Göran Jerke、Jens Lienig、Jürgen Scheible2004-06-07OpenAlex

The negative effect of electromigration on signal and power line lifetime and functional reliability is an increasingly important problem for the physical design of integrated circuits. We present a new approach that addresses this electromigration issue by considering current density and inhomogeneous current-flow wi…

Electronic Packaging and Soldering TechnologiesSemiconductor materials and devicesCopper Interconnects and Reliability

Excitonic and defect related transitions in ZnO-SiO2 nanocomposites synthesized by sol-gel technique

Supriya Chakrabarti、Dibyendu Ganguli、Sandeep K. Chaudhuri2004-06-07physica status solidi (a)

ZnO–SiO2 nanocomposite films with ZnO nanoparticles dispersed in a silica matrix (molar ratio of ZnO:SiO2 is 25:75) were deposited on quartz glass substrates by the sol-gel method. The optical, microstructural and photoluminescence properties of the films were studied. The films were annealed in air at different tempe…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsGa2O3 and related materials

PARALLEL COMPUTATION OF THE BOLTZMANN TRANSPORT EQUATION FOR MICROSCALE HEAT TRANSFER IN MULTILAYERED THIN FILMS

Srikant Srinivasan、Richard S. Miller、E. Marotta2004-06-07Numerical Heat Transfer Part B Fundamentals

Results are presented from parallel computations of one-dimensional (1-D) and twodimensional (2-D) microscale heat conduction in multilayered films involving the materials silicon (Si) and silicon dioxide (SiO2). The equation of phonon radiative transport (ERPT), in its spectral as well as frequency-independent form,…

Thermal properties of materialsComposite Material MechanicsThermal Radiation and Cooling Technologies

Aliphatic–aromatic copolyesters derived from 2,2,4,4‐tetramethyl‐1,3‐cyclobutanediol

Nathan C. Hoppens、Todd W. Hudnall、Adam S. Foster 等 4 位作者2004-06-07Journal of Polymer Science Part A Polymer Chemistry

Abstract With the massive changes taking place in the world today, the development of new thermally and mechanically stable polymeric materials is of utmost importance. This article focuses on the synthesis and thermal characterization of a new series of copolyesters that incorporate both aromatic as well as aliphatic…

Zeolite Catalysis and SynthesisCarbon dioxide utilization in catalysisSynthesis and properties of polymers

Poly(anhydride‐ester) fibers: Role of copolymer composition on hydrolytic degradation and mechanical properties

Kenya Whitaker‐Brothers、Kathryn E. Uhrich2004-06-07Journal of Biomedical Materials Research Part A

Poly(anhydride-esters), based on carboxyphenoxydecanoate (CPD), are biocompatible polymers that hydrolytically degrade. The mechanical properties of the poly(anhydride-esters) can be altered by copolymerization with para-carboxyphenoxyhexane (pCPH). Mechanical properties of three CPD:pCPH compositions (30:70, 40:60, a…

Orthopaedic implants and arthroplastybiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Secondary electron emission of an insulating target induced by a well-focused electron beam - Monte Carlo simulation study

Raphaël Renoud、Franck Mady、C. Attard 等 5 位作者2004-06-07physica status solidi (a)

The secondary electron emission of an insulating target bombarded by an electronic beam varies as the sample charges up. This evolution is most often described via the conventional approach. However this latter is far from being entirely satisfactory and several observations obviously take it at fault. One can then wo…

Semiconductor materials and devicesX-ray Spectroscopy and Fluorescence AnalysisElectron and X-Ray Spectroscopy Techniques

Novel flame‐retardant thermosets: Phosphine oxide‐containing diglycidylether as curing agent of phenolic novolac resins

M. A. Espinosa、Marina Galià、Virgínia Cádiz2004-06-07Journal of Polymer Science Part A Polymer Chemistry

Abstract Phosphorus‐containing novolac–epoxy systems were prepared from novolac resins and isobutyl bis(glycidylpropylether) phosphine oxide (IHPOGly) as crosslinking agent. Their curing behavior was studied and the thermal, thermomechanical, and flame‐retardant properties of the cured materials were measured. The T g…

Flame retardant materials and propertiesSilicone and Siloxane ChemistryPhotopolymerization techniques and applications

Morphology control of polypropylene by crystallization under carbon dioxide

Gensei Teramoto、Takafumi Oda、Hiromu Saito 等 5 位作者2004-06-07Journal of Polymer Science Part B Polymer Physics

Abstract We investigated the crystalline morphology of isotactic polypropylene obtained by melt crystallization under carbon dioxide (CO 2 ) at various pressures. Spherulites consisting of regularly arranged fibrils without subsidiary lamellae were obtained by crystallization under CO 2 below 2 MPa, whereas large sphe…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesPolymer Foaming and Composites

Cobalt Ferrite Nanoparticles Prepared by Coprecipitation/Mechanochemical Treatment

Huaming Yang、Xiangchao Zhang、Aidong Tang 等 4 位作者2004-06-07Chemistry Letters

Abstract Cobalt ferrite (CoFe2O4) nanoparticles have been prepared by chemical coprecipitation, mechanical milling and subsequent thermal treatment. Sodium chloride was added as a diluent during mechanical milling to avoid agglomeration of the particles. Thermal treatment of the as-milled powder at 600 °C produces wel…

Magnetic Properties and Synthesis of FerritesIron oxide chemistry and applicationsPigment Synthesis and Properties