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Fullab initiogeometry optimization of all known crystalline phases ofSi3N4

W. Y. Ching、Lizhi Ouyang、Julian D. Gale2000-04-01Physical review. B, Condensed matter

The crystal structures of the four experimentally observed phases of ${\mathrm{Si}}_{3}{\mathrm{N}}_{4}$ with space groups ${P6}_{3}/m,$ ${P6}_{3},$ ${P3}_{1}/c,$ and ${\mathrm{Fd}}_{3}/m$ are fully optimized by means of first-principles total-energy calculations. The relaxation of all internal parameters is achieved…

High-pressure geophysics and materialsBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials

Prediction of the radiation term in the thermal conductivity of crosslinked closed cell polyolefin foams

Ovidio Almanza、M. A. Rodr�guez-P�rez、J.A. de Saja2000-04-01Journal of Polymer Science Part B Polymer Physics

The thermal conductivity and the cellular structure as well as the matrix polymer morphology of a collection of chemically crosslinked low-density closed cell polyolefin foams, manufactured by a high-pressure nitrogen gas solution process, have been studied. With the aid of a useful theoretical model, the relative con…

Nanofluid Flow and Heat TransferHeat and Mass Transfer in Porous MediaPolymer Foaming and Composites

A “Building Block” Approach to Mixed-Colloid Systems Through Electrostatic Self-Organization

Trent H. Galow、Andrew K. Boal、Vincent M. Rotello2000-04-01Advanced Materials

A facile approach to engineering diverse mixed-colloid ensembles is presented here. Various colloid architectures are seen that are controlled by both electrostatic self-assembly and concentration changes (see Figure) regardless of the nature of the nanoparticle core. The methodology should be applicable to the creati…

Iron oxide chemistry and applicationsPickering emulsions and particle stabilizationElectrostatics and Colloid Interactions

Temperature and field dependence of the phase separation, structure, and magnetic ordering inLa1−xCaxMnO3(x=0.47,0.50, and 0.53)

Q. Huang、J. W. Lynn、R. W. Erwin 等 8 位作者2000-04-01Physical review. B, Condensed matter

Neutron-powder-diffraction measurements, combined with magnetization and resistivity data, have been carried out in the doped perovskite ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm{MnO}}_{3}$ $(x=0.47,$ 0.50, and 0.53) to elucidate the structural, magnetic, and electronic properties of the system around…

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

Effects of particle size of Al(OH)3 on electrical properties of EPDM compounds

Cheol Ho Lee、Sang Wook Kim、Jin Ho Nam 等 4 位作者2000-04-01Polymer Engineering and Science

Abstract Effects of particle size of Al(OH) 3 (ATH) filler on electrical properties of ethylene propylene diene terpolymer (EPDM)/ATH compounds were studied. It was found that tracking and erosion resistance of EPDM/ATH compounds decreased while dielectric properties and 90°C water resistance were improved with the in…

High voltage insulation and dielectric phenomenaDielectric materials and actuatorsAerosol Filtration and Electrostatic Precipitation

A model study for the recovery of polymides using the dissolution/reprecipitation technique

C. D. Papaspyrides、C. N. Kartalis2000-04-01Polymer Engineering and Science

Abstract A model dissolution/reprecipitation process is studied for the recycling of both polyϵ‐caprolactam (PA 6) and polyhexamethyleneadipamide (PA 6 6). This process comprises dissolution of each of the aforementioned polyamides in an appropriate solvent, reprecipitation by addition of a nonsolvent and finally reco…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesSynthesis and properties of polymers

Liquid crystalline polymers V. Thermotropic liquid crystalline poly(azomethine-ether)s containing a cycloalkanone moiety in the polymer backbone

Kamal I. Aly、Ragaa A. Ahmed2000-04-01Liquid Crystals

A new homologous series of thermotropic liquid crystalline poly(azomethine-ether)s was synthesized by solution polycondensation of various diformyl-alpha,omega-diphenoxyalkanes, I-VIII with 2,5-bis(m-aminobenzylidene)cyclopentanone, XI and 2,6-bis(m-aminobenzylidene)cyclohexanone, XII. The inherent viscosities of the…

Polymer crystallization and propertiesRheology and Fluid Dynamics StudiesSynthesis and properties of polymers

Polymer bonded magnets. II. Effect of liquid crystal polymer and surface modification on magneto‐mechanical properties

Jun Xiao、Joshua U. Otaigbe2000-04-01Polymer Composites

Abstract We studied the effect of liquid crystal polymer (LCP) and surface modification of neodymium‐iron‐boron (Nd‐Fe‐B) magnetic alloy on the magneto‐mechanical behavior of poly (phenylene sulfide) (PPS) bonded Nd‐Fe‐B magnets to accelerate efforts to develop useful thermoplastic magnets with optimal performance. Th…

Magnetic properties of thin filmsMetallic Glasses and Amorphous AlloysMagnetic Properties of Alloys

Low Thermal Conductivities of Undoped and Various Protonic Acid-Doped Polyaniline Films

Hu Yan、Naonori Ohno、Naoki Toshima2000-04-01Chemistry Letters

Abstract Thermal conductivities of undoped and various protonic acid-doped polyaniline films were measured by combination of a laser flash method and a scanning differential calorimeter. The thermal conductivities thus measured are in the range of conventional organic polymers, indicating that the doped polyaniline fi…

Conducting polymers and applicationsTransition Metal Oxide NanomaterialsAnalytical Chemistry and Sensors

A Conformational Study on Silacyclohexane. Comparison ofab initio (HF, MP2), DFT, and Molecular Mechanics Calculations. Conformational Energy Surface of Silacyclohexane

Ingvar Árnason、Gudjon K. Thorarinsson、E. Matern2000-04-01Zeitschrift für anorganische und allgemeine Chemie

The structures and relative energies for the basic conformations of silacyclohexane 1 have been calculated using HF, RI-MP2, RI-DFT and MM3 methods. All methods predict the chair form to be the dominant conformation and all of them predict structures which are in good agreement with experimental data. The conformation…

Synthesis and characterization of novel inorganic/organometallic compoundsSilicone and Siloxane ChemistryInorganic Fluorides and Related Compounds

Mechanism of dissipation of the excitation energy in garnet oxides doped with rare-earth ions with 4f-5d transitions

Yu. Zorenko2000-04-01Optics and Spectroscopy

Mechanisms of dissipation of the excitation energy in garnet crystal phosphors Y 3 Al 5 O 12 and Y 3 Ga 5 O 12 doped with rare-earth ions with interconfiguration transitions are studied depending on the Ga concentration.

Luminescence Properties of Advanced MaterialsPhotorefractive and Nonlinear OpticsRadiation Detection and Scintillator Technologies

Polymer-metal composite particles: Metal particles on poly(St-co-MAA) microspheres

P. H. Wang、Cai‐Yuan Pan2000-04-01Journal of Applied Polymer Science

Poly(styrene-co-methacrylic acid) P(St-co-MAA) microspheres with a monodisperse size distribution were prepared by emulsifier-free emulsion copolymerization of St and MAA. The effects of MAA content on the polymerization rate and the content of MAA in the copolymer were investigated by gravimetrical and IR methods, re…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresNanomaterials and Printing Technologies

Rfreeand theRfreeratio. II. Calculation of the expected values and variances of cross-validation statistics in macromolecular least-squares refinement

Ian J. Tickle、Roman A. Laskowski、David S. Moss2000-04-01Acta Crystallographica Section D Biological Crystallography

The free R factor is used routinely as a cross-validation tool in macromolecular crystallography. However, without any means of deriving quantitative estimates of its expected value and variance, its application has been rather subjective and its usefulness therefore somewhat limited. In the first part of this series,…

Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function

Properties of Modified Lead Zirconate Titanate Ceramics Prepared at Low Temperature (800°C) by Hot Isostatic Pressing

Jing‐Feng Li、Shinan Wang、Katsuhiro Wakabayashi 等 5 位作者2000-04-01Journal of the American Ceramic Society

High‐density lead zirconate titanate (PZT) ceramics were fabricated for the first time at a temperature as low as 800°C via the hot isostatic pressing (HIP) of a PZT powder with a modified composition of 0.92Pb(Zr 0.53 Ti 0.47 )O 3 —0.05BiFeO 3 —0.03Ba(Cu 0.5 W 0.5 )O 3 that contained 0.5 mass% MnO 2 . The resultant P…

Ferroelectric and Piezoelectric MaterialsAdvanced ceramic materials synthesisMicrowave Dielectric Ceramics Synthesis

Boundary element studies on insulator shape and electric field around HV insulators with or without pollution

S. Chakravorti、H. Steinbigler2000-04-01IEEE Transactions on Dielectrics and Electrical Insulation

Capacitive-resistive field computations are carried out around post-type HV insulators of varying shapes. The boundary element method (BEM) has been employed for electric field computations. Different insulator shapes have been obtained by varying several parameters, which define the shape of the HV insulator contour.…

High voltage insulation and dielectric phenomenaAerosol Filtration and Electrostatic PrecipitationThermal Analysis in Power Transmission

d-Tyrosyl-tRNATyr Metabolism inSaccharomyces cerevisiae

Julie Soutourina、Sylvain Blanquet、Pierre Plateau2000-04-01Journal of Biological Chemistry

The Saccharomyces cerevisiae YDL219w (DTD1) gene, which codes for an amino acid sequence sharing 34% identity with the Escherichia coli D-Tyr-tRNA(Tyr) deacylase, was cloned, and its product was functionally characterized. Overexpression in the yeast of the DTD1 gene from a multicopy plasmid increased D-Tyr-tRNA(Tyr)…

Enzyme Structure and FunctionPolyamine Metabolism and ApplicationsAmino Acid Enzymes and Metabolism

Atomic resolution structure of native porcine pancreatic elastase at 1.1 Å

Martin Würtele、Michael G. Hahn、Kai Hilpert 等 4 位作者2000-04-01Acta Crystallographica Section D Biological Crystallography

A data set from the serine protease porcine pancreatic elastase was collected at atomic resolution (1.1 A) with synchrotron radiation. The improved resolution allows the determination of atom positions with high accuracy, as well as the localization of H atoms. Three residues could be modelled in alternative positions…

Protein Structure and DynamicsEnzyme Structure and FunctionEnzyme Production and Characterization

Corrosion Behavior of Mild Steel in Acetic Acid Solutions

Meena Singh、Archana Gupta2000-04-01CORROSION

The corrosion behavior of mild steel in acetic acid (CH3COOH) solutions was studied by weight loss and potentiostatic polarization techniques. The variation in corrosion rate of mild steel with concentrations of CH3COOH, evaluated by weight loss and electrochemical techniques, showed marked resemblance. From both tech…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability

Experimental investigations of nonlinear acoustic phenomena in polycrystalline zinc

В. Е. Назаров、А. Б. Колпаков2000-04-01The Journal of the Acoustical Society of America

The results of experimental and theoretical investigations of nonlinear acoustic phenomena (nonlinear losses, shift of resonance frequency, generation of the third harmonic, and nonlinear sound-by-sound damping) in polycrystalline zinc nonannealed and annealed resonating rods are presented. The measurements were carri…

Material Properties and ApplicationsEngineering Diagnostics and ReliabilityMaterial Properties and Failure Mechanisms

The role of BaTiO/sub 3/ in modifying the dc breakdown strength of LDPE

M.S. Khalil2000-04-01IEEE Transactions on Dielectrics and Electrical Insulation

In the present paper, the effect of the addition of fine particles 1%wt BaTiO/sub 3/ to plain low-density polyethylene (LDPE) on the short-term dc breakdown strength of LDPE is investigated. The Weibull plots are used to analyze the breakdown test results. This indicates that the addition of BaTiO/sub 3/ to LDPE has r…

High voltage insulation and dielectric phenomenaPower Transformer Diagnostics and InsulationDielectric materials and actuators