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Convergence properties of the supercell approach in the study of local defects in solids

Roberto Dovesi、Roberto Orlando1994-11-01Phase Transitions

The “supercell” scheme is applied to the study of local defects in MgO (Ca substitution, cation and anion vacancies) and bulk silicon (carbon substitution). The trend of the quantities of interest (defect formation energy, geometrical relaxation, charge distribution around the defect) as a function of the supercell si…

High-pressure geophysics and materialsSemiconductor materials and devicesX-ray Diffraction in Crystallography

Magnetoelectric effect and magnetic torque of chromium chlorine boracite Cr3B7O13Cl

Zuo‐Guang Ye、J.‐P. Rivera、Heinz Schmid 等 5 位作者1994-11-01Ferroelectrics

The magnetoelectricity of the boracite Cr3B7O13Cl has been studied by quasistatic and dynamic magnetoelectric (ME) H measurements on (001)cub platelets with a ferroelastic/ferroelectric single domain state, obtained by poling with an electric field of E = 45 kV·cm−1, applied upon cooling through the 42ml′ ⇒ mm21′ phas…

Multiferroics and related materialsCrystal Structures and PropertiesIron oxide chemistry and applications

Analysis of the Neurotoxic Plasticizer n-Butylbenzenesulfonamide by Gas Chromatography Combined with Accurate Mass Selected Ion Monitoring

Pat Duffield、David J. Bourne、Karin Tan 等 5 位作者1994-11-01Journal of Analytical Toxicology

The plasticizer, n-butylbenzenesulfonamide (NBBS), is reported to be neurotoxic when inoculated intracisternally or intraperitoneally into rabbits. Because NBBS is commonly used in the production of polyamide (nylon) plastics and is soluble in water, the disposal of NBBS-containing plastics in landfill sites could res…

biodegradable polymer synthesis and propertiesThermal and Kinetic AnalysisPolymer Science and PVC

Oxygen Transport in Aluminum Nitride Substrates

Héiène Solmon、David A. Robinson、Rüdiger Dieckmann1994-11-01Journal of the American Ceramic Society

The diffusion of oxygen in commercially available aluminum nitride substrates has been studied by performing interdiffusion‐type experiments. The diffusion of oxygen both within AlN grains and along grain boundaries was investigated. By using as‐received AlN substrates and an electron microprobe as an analytical tool,…

Advanced ceramic materials synthesisSemiconductor materials and devicesThermal properties of materials

Biosynthesis of Poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate) from Ethanol and Pentanol by Alcaligenes eutrophus

Chang‐Ho Park、Vijay K. Damodaran1994-11-01Biotechnology Progress

Abstract An alcohol utilizing Alcaligenes eutrophus NCIMB 12080 produced a copolymer, poly‐(hydroxybutyrate–valerate) (PHBV), in a computer‐controlled 7‐L fed‐batch fermentor when the alcohol feed contained pentanol. Pentanol as a sole carbon source was not efficient either for cell growth or for PHBV production. To a…

Enzyme Catalysis and Immobilizationbiodegradable polymer synthesis and propertiesMicrobial Metabolic Engineering and Bioproduction

SHORT COMMUNICATION: Sorption of benzene, toluene, and o-xylene by collagen compared with non-protein organic sorbents

Baoshan Xing、W. B. McGill、M. J. Dudas1994-11-01Canadian Journal of Soil Science

Our previous work has demonstrated a relationship between polarity index and organic carbon referenced partition coefficients (K oc ) of organic chemicals. Here we compare sorption of benzene, toluene, or o-xylene by protein with non-protein organic sorbents. K oc for benzene, toluene, or o-xylene sorption by collagen…

Effects and risks of endocrine disrupting chemicalsOdor and Emission Control TechnologiesCollagen: Extraction and Characterization

Variation of the oxygen content in tetragonal, calcium oxide-doped zirconia

Jiajia Xue、Rüdiger Dieckmann1994-11-01Solid State Ionics

A thermogravimetric study of the oxygen activity dependent variation of the oxygen content in CaO-doped zirconia has been performed at different dopant concentrations within the stability limit of the tetragonal solid solution at temperatures between 1200 and 1300°C. The experimental results are compatible with a simp…

Catalytic Processes in Materials ScienceThermal and Kinetic AnalysisNuclear materials and radiation effects

Cylindrical-wave reflection and antireflection at media interfaces

Yuan Jiang、Jill K. Hacker1994-11-01Applied Optics

A transfer-matrix method is used to study cylindrical-wave reflection at cylindrical media interfaces. We find that the reflection can be total at an interface of small radius but is only partial if the radius is large. This feature is useful for designing optical sources and receivers of small radii. Cylindrical-wave…

Photonic and Optical DevicesPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Electrochemical characterization of a novel organic electrolyte gel

Tal M. Nahir、Yongjian Qiu、Joel L. Williams1994-11-01Electroanalysis

Abstract The fabrication and electrochemical characterization of a variety of self‐supported thermorevrsible organic electrolyte gels prepared using l,3:2,4‐dibenzylidene sorbitol (DBS) as a gelling agent are reported. Impedance analysis and cyclic voltammetry were used to examine these gel systems, which exhibit ioni…

Supercapacitor Materials and FabricationIonic liquids properties and applicationsConducting polymers and applications

Synthesis of New Dilactone-type Fluorescent Dyes and Their Fluorochromic Properties

Katsuhira Yoshida、Yuki Yamanaka、Yasunobu Ueno1994-11-01Chemistry Letters

Abstract New dilactone-type fluorescent dyes have been synthesized starting from 1,4-naphthoquinone and m-(dialkylamino)phenols. Both the fluorescence maxima and intensities of the dyes were drastically changed depending on solvent polarity. The dyes also showed good fluorescent dichroic properties in an ordered nemat…

Liquid Crystal Research AdvancementsPhotochemistry and Electron Transfer StudiesPhotochromic and Fluorescence Chemistry

Optical constants of hydrogenated and unhydrogenated amorphous carbon in the 05–12-eV range

Giuseppe Compagnini1994-11-01Applied Optics

The real and imaginary parts of the refractive index have been obtained in a wide energy range (0.5-12 eV) for films (0.2-0.3 µm thick) of amorphous carbon with different hydrogen contents (0-40 at. %) to obtain more insight into the electronic structure of these materials. Reflectance and transmittance measurements h…

Diamond and Carbon-based Materials ResearchPhase-change materials and chalcogenidesNonlinear Optical Materials Studies

Retinoids and Related Compounds. 17. Conformational Study of Retinochrome Chromophore: Synthesis of 8,18-Ethanoretinal and a New Retinochrome Analog

Akimori Wada、Miho Sakai、Tomoya Kinumi 等 6 位作者1994-11-01The Journal of Organic Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTRetinoids and Related Compounds. 17. Conformational Study of Retinochrome Chromophore: Synthesis of 8,18-Ethanoretinal and a New Retinochrome AnalogAkimori Wada, Miho Sakai, Tomoya Kinumi, Kazuo Tsujimoto, Masashige Yamauchi, and Masayoshi ItoCite this: J. Org. Chem. 1994, 5…

Molecular Sensors and Ion DetectionRetinoids in leukemia and cellular processesPhotochromic and Fluorescence Chemistry

Coatings and hardfacing alloys for corrosion and wear resistance in diesel engines

J.R. Nicholls1994-11-01Materials Science and Technology

The potential for surface engineering solutions to increase the corrosion and wear resistance of diesel valves is examined with regard to operation in residual fuel oil combustion products. The environment in which the exhaust valve operates is discussed. The corrosion test is used to sort the 27 coating treatments an…

Metal and Thin Film MechanicsAdvanced materials and compositesMetal Alloys Wear and Properties

Polymerization of glycolide promoted by ω‐Al‐alkoxide poly(ϵ‐caprolactone) macro‐initiators and formation of stable colloidal dispersions

Ibrahim Barakat、Philippe Dúbois、Robert Jérôme 等 5 位作者1994-11-01Macromolecular Symposia

Abstract Block polymerization of glycolide (GA) and ϵ‐caprolactone (ϵ‐CL) has been initiated with aluminum alkoxides, such as Al(O i Pr) 3 and Et 2 AlOCH 2 X (where X = ‐CH 2 ‐Br and ‐CH 2 O‐C(O)‐C(Me)=CH 2 ), in THF at 40°C. Structure and composition of block copolyesters have been characterized with respect to the m…

Organometallic Complex Synthesis and Catalysisbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Interaction of hydrogen with chemical vapor deposition diamond surfaces: A thermal desorption study

Lye Hing Chua、Richard B. Jackman、John S. Foord 等 6 位作者1994-11-01Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

The interaction of hydrogen with a chemical vapor deposition (CVD) deposited polycrystalline film on Si(100), cleaned by heating to 1500 K, has been examined. No adsorption is observed unless prior activation with a hot filament is carried out. However atomic H thereby created is found to adsorb with a high sticking p…

Metal and Thin Film MechanicsSemiconductor materials and devicesDiamond and Carbon-based Materials Research

The crystal structures of two Mercury Perrhenates

Marietta S. Schriewer‐Pöttgen、Wolfgang Jeitschko1994-11-01Zeitschrift für anorganische und allgemeine Chemie

Abstract The mercury perrhenates with the empirical formulas HgReO 4 and Hg 2 ReO 5 were prepared by annealing powdered mixtures of mercury(II)oxide and mercury(II)metaperrhenate Hg(ReO 4 ) 2 in sealed silica tubes. Their crystal structures were determined from single‐crystal X‐ray data. HgReO 4 crystallizes dimeric w…

Crystallography and molecular interactionsCrystal Structures and PropertiesX-ray Diffraction in Crystallography

Optical properties of zoisite

B. Koziarska、M. Godlewski、A. Suchocki 等 5 位作者1994-11-01Physical review. B, Condensed matter

The optical absorption, luminescence, luminescence excitation, and luminescence decay kinetics of a dopant with a 3${\mathit{d}}^{3}$ shell (most probably ${\mathrm{Cr}}^{3+}$) and ${\mathrm{V}}^{3+}$ ions in natural ${\mathrm{Ca}}_{2}$${\mathrm{Al}}_{3}$${\mathrm{Si}}_{3}$${\mathrm{O}}_{12}$(OH) zoisite crystal have…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsCrystal Structures and Properties

Magnetic field and current distribution in metallized capacitors

Ch. Joubert、Abderrahmane Béroual、G. Rojat1994-11-01Journal of Applied Physics

We attempt to establish the mathematical expression of the current and the magnetic field in a metallized capacitor. The expression of the impedance of this capacitor is also presented. The distribution of the current is discussed through the variation of the capacitor impedance and compared to experimental ones. Ther…

Magnetic Properties and ApplicationsMagnetic Field Sensors Techniques

Metalorganic Chemical Vapor Deposition of Lead Titanate

Warren C. Hendricks、Seshu B. Desu、Chien H. Peng1994-11-01Chemistry of Materials

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMetalorganic Chemical Vapor Deposition of Lead TitanateWarren C. Hendricks, Seshu B. Desu, and Chien H. PengCite this: Chem. Mater. 1994, 6, 11, 1955–1960Publication Date (Print):November 1, 1994Publication History Published online1 May 2002Published inissue 1 November 1994h…

Catalytic Processes in Materials ScienceTitanium Alloys Microstructure and PropertiesCatalysis and Oxidation Reactions

CYCLOTELLA PSEUDOCOMENSISNOV. SP. (BACILLARIOPHYCEAE) AUS NORDDEUTSCHEN SEEN

Wolfram Scheffler1994-11-01Diatom Research

The morphology, systematics and ecology of a new centric diatom, Cyclotella pseudocomensis nov. sp., are presented. The morphological variation and ultrastructure from initial to the smallest cells are described as revealed by light and scanning electron microscopy. This new species is characterized by the transverse…

Marine and coastal ecosystemsAquatic Ecosystems and Phytoplankton DynamicsDiatoms and Algae Research