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Quantum mechanical calculations of dioctahedral 2:1 phyllosilicates: Effect of octahedral cation distributions in pyrophyllite, illite, and smectite

C. Ignacio Sainz‐Díaz、Vicente Timón、V. Botella 等 5 位作者2002-07-01American Mineralogist

The structure of dioctahedral 2:1 phyllosilicates with different interlayer charge was studied theoretically using ab initio calculations. The standard Kohn-Sham self-consistent density functional method was used in the generalized gradient approximation (GGA), with numerical atomic orbitals as the basis set, by means…

Crystal Structures and PropertiesClay minerals and soil interactionsIron oxide chemistry and applications

Thermal Stability, Phase Evolution, and Crystallization in Si‐B‐C‐N Ceramics Derived from a Polyborosilazane Precursor

Narayanan Janakiraman、Markus Weinmann、Jörg Schuhmacher 等 7 位作者2002-07-01Journal of the American Ceramic Society

Amorphous Si‐B‐C‐N ceramic powder samples obtained by thermolysis of boron‐modified polysilazane, {B[C 2 H 4 Si(H)NH] 3 } n , were isothermally annealed at different temperatures (1400–1800°C) and hold times (3, 10, 30, and 100 h). A qualitative and semiquantitative analysis of the crystallization behavior of the mate…

Advanced ceramic materials synthesisMXene and MAX Phase MaterialsAdvanced materials and composites

Statistical mechanical models with effective potentials: Definitions, applications, and thermodynamic consequences

Frank H. Stillinger、Hajime Sakai、Salvatore Torquato2002-07-01The Journal of Chemical Physics

Realistic interactions that operate in condensed matter systems can exhibit complicated many-particle characteristics. However, it is often useful to seek a more economical description using at most singlet and pair effective interactions that are density dependent, to take advantage of the theoretical and computation…

Phase Equilibria and ThermodynamicsHigh-pressure geophysics and materialsMaterial Dynamics and Properties

Microstructure and Grain‐Boundary Effect on Electrical Properties of Gadolinium‐Doped Ceria

Xiao‐Dong Zhou、Wayne Huebner、Igor Kosacki 等 4 位作者2002-07-01Journal of the American Ceramic Society

The microstructural evolution and grain‐boundary influence on electrical properties of Ce 0.90 Gd 0.10 O 1.95 were studied. The nanoscale powders synthesized from a semibatch reactor exhibited 50% green density and 92% sintering density at 1200°C (∼200°C lower than previous studies). Impedance spectra as a function of…

Catalytic Processes in Materials ScienceAdvancements in Solid Oxide Fuel CellsElectronic and Structural Properties of Oxides

Synthesis, Spectroscopic and Structural Characterization of Novel Diiodine Adducts with the Heterocyclic Thioamides, Thiazolidine-2-thione (tzdtH), Benzothiazole-2-thione (bztzdtH) and Benzimidazole-2-thione (bzimtH)

Vasiliki Daga、S.K. Hadjikakou、Nick Hadjiliadis 等 6 位作者2002-07-01European Journal of Inorganic Chemistry

Direct reaction of thiazolidine-2-thione (tzdtH), an anti-thyroidal agent with diiodine in a molar ratio of 1:2 caused the heterolytic cleavage of diiodine and formation of [{(tzdtH)2I+}·I3−·2I2] (1), whereas the reaction of benzothiazole-2-thione (bztzdtH) with diiodine in a molar ratio of 1:2 and 1:1 resulted in the…

Crystal structures of chemical compoundsNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic Compounds

Characteristics of diffusion in Al-Mg alloys with ultrafine grain sizes

Takeshi Fujita、Zenji Horita、Terence G. Langdon2002-07-01Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties

Equal-channel angular pressing (ECAP) was used to refine the grain sizes of pure Al and an Al-3 wt% Mg alloy containing minor additions of either Sc or Zr. Following ECAP, the grain sizes were in the ultrafine submicrometre range. Diffusion couples were prepared from the fine-grained material produced by ECAP and from…

Microstructure and mechanical propertiesMagnesium Alloys: Properties and ApplicationsHigh Temperature Alloys and Creep

Correlation Between OSL and the Distribution of TL Traps in Al2O3:C

Anna E. Akselrod、M.S. Akselrod2002-07-01Radiation Protection Dosimetry

Al2O3:C single crystals are known to exhibit some variation of their thermoluminescence (TL) glow curve shape from sample to sample. This variation is attributed to the fact that the TL peak in Al2O3:C is produced by the set of several traps. It is important to understand what part of the trap distribution correlates…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesNuclear Materials and Properties

Properties of Some Alkyl Substituted Phthalocyanines and Related Macrocycles

Michael J. Cook2002-07-01The Chemical Record

This report provides an account of research undertaken at the University of East Anglia, United Kingdom, into phthalocyanine derivatives substituted at six or more of the nonperipheral sites by alkyl groups. When first prepared they were only the second series of substituted phthalocyanines known to exhibit columnar l…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistrySurface Chemistry and Catalysis

Modeling of air separation in a LSCF hollow‐fiber membrane module

Xiaoyao Tan、Kang Li2002-07-01AIChE Journal

Abstract Mixed ion‐conducting ceramic membranes are promising in oxygen separation from air due to their infinite permselectivity. Hollow‐fiber‐shaped membranes can provide a high surface area for such an application. A mathematical model for a hollow‐fiber La 0.6 Sr 0.4 Co 0.2 F 0.8 O 3−δ (LSCF) membrane module for a…

Advancements in Solid Oxide Fuel CellsMicrowave Dielectric Ceramics SynthesisThermal Expansion and Ionic Conductivity

Analysis of Reflective Crack Control System Involving Reinforcing Grid over Base-Isolating Interlayer Mixture

Jiwon Kim、William G. Buttlar2002-07-01Journal of Transportation Engineering

To develop a rigorous, mechanistic design method for asphalt overlays, one must have a method to accurately determine the response of the overlay system to various load conditions. This paper presents a cutting-edge nonlinear three-dimensional finite-element modeling approach for asphalt overlay analysis, including a…

Asphalt Pavement Performance EvaluationHigh voltage insulation and dielectric phenomenaGeophysical Methods and Applications

Complex study on chitosan degradability

Maria Mucha、A. Pawlak2002-07-01Polimery

Results of photo- and thermodegradation of chitosan of different degrees of deacetylation (DD) were discussed. On the basis of the results of thermodegradation under isothermal and dynamic conditions thermal stability of chitosan films, also photochemically modified samples (UV irradiated for 1 h), was estimated. Inve…

Nanocomposite Films for Food Packaging

Confined water in the low hydration regime

Paola Gallo、M. Rapinesi、M. Rovere2002-07-01The Journal of Chemical Physics

Molecular dynamics results on water confined in a silica pore in the low hydration regime are presented. Strong layering effects are found due to the hydrophilic character of the substrate. The local properties of water are studied as function of both temperature and hydration level. The interaction of the thin films…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesSpectroscopy and Quantum Chemical Studies

Direct determination of grain sizes, lattice parameters, and mismatch of porous silicon

Raúl J. Martín‐Palma、L. Pascual、Pilar Herrero 等 4 位作者2002-07-01Applied Physics Letters

High-resolution transmission electron microscopy and digital image processing were used to investigate in detail the structure of porous silicon (PS). It was found that PS is composed of rounded Si nanocrystals with characteristic sizes between 21 and 80 Å, embedded into an amorphous matrix and with no preferential or…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Dosimetric Characteristics of Li2B4O7:Cu,Ag,P Solid TL Detectors

M. Proki2002-07-01Radiation Protection Dosimetry

The main dosimetric characteristics are presented of newly prepared tissue-equivalent, highly sensitive thermoluminescent detector, Li,B4O7:Cu,Ag,P in the form of sintered pellets, developed at the Institute of Nuclear Sciences, Vinca. As a result of an advancement in the preparation procedure by the sensitising of ba…

Luminescence Properties of Advanced MaterialsRadiation Detection and Scintillator TechnologiesBoron Compounds in Chemistry

Surface modifications of montmorillonite for tailored interfaces in nanocomposites

Loïc Le Pluart、J. Duchet、H. Sautereau 等 4 位作者2002-07-01The Journal of Adhesion

Different kinds of clays based on sodium montmorillonite have been modified by (1) cationic exchange of alkylammonium ions and (2) covalent grafting of organosilane. We have prepared organophilic clays with different gallery heights (due to alkylammonium ions with alkyl chain length varying from 8 to 18 carbon atoms)…

Polymer Nanocomposites and PropertiesClay minerals and soil interactionsLayered Double Hydroxides Synthesis and Applications

Glass Transition Temperatures of High-Density Poly(methyl methacrylate) Brushes

Shinpei Yamamoto、Yoshinobu Tsujii、Takeshi Fukuda2002-07-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTGlass Transition Temperatures of High-Density Poly(methyl methacrylate) BrushesShinpei Yamamoto, Yoshinobu Tsujii, and Takeshi FukudaView Author Information Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Jap…

Polymer Surface Interaction StudiesForce Microscopy Techniques and ApplicationsAdhesion, Friction, and Surface Interactions

An investigation into the mechanism of flame retardancy and smoke suppression by melamine in flexible polyurethane foam

Dennis Price、Yan Liu、G.J. Milnes 等 6 位作者2002-07-01Fire and Materials

Abstract The mechanism of flame retardancy and smoke suppression by melamine in flexible polyurethane foam has been investigated using cone calorimetry, TG, DSC and pyrolysis/GC/MS. The cone calorimetric results indicate that the addition of melamine into polyurethane foam was very effective at reducing heat release r…

Toxic Organic Pollutants ImpactFire dynamics and safety researchFlame retardant materials and properties

The nature of prolate shape of tactoids in lyotropic inorganic liquid crystals

A. V. Kaznacheev、M. M. Bogdanov、S. A. Taraskin2002-07-01Journal of Experimental and Theoretical Physics

A tactoid phase is obtained, which is an anisotropic mesophase dispersed in an anisotropic solution. A model is constructed that describes the shape of anisotropic regions, i.e., tactoids. It is demonstrated that the prolate shape of tactoids is caused by the competition between the elastic energy of the nematic phase…

Liquid Crystal Research AdvancementsAdvanced Materials and MechanicsMolecular spectroscopy and chirality

Activation of Nitrous Oxide and Selective Epoxidation of Alkenes Catalyzed by the Manganese-Substituted Polyoxometalate, [MnIII2ZnW(Zn2W9O34)2]10-

Revital Ben‐Daniel、Lev Weiner、Ronny Neumann2002-07-01Journal of the American Chemical Society

A manganese(III)-substituted polyoxometalate of the "sandwich" structure, [MnIII2ZnW(ZnW9O34)2]10-, catalyzed the highly selective (>99.9%) epoxidation of alkenes, such as 1-octene, 2-octene, and cyclohexene with nitrous oxide. Reactions occurred in homogeneous media at 150 degrees C under 1 atm N2O. The epoxidation h…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions

Spectroscopy of Tm3+-doped tellurite glasses for 1470 nm fiber amplifier

E.R. Taylor、L.N. Ng、Neil P. Sessions 等 4 位作者2002-07-01Journal of Applied Physics

Three thulium doped tellurite glass compositions have been investigated. The 1470 nm transition is radiative in these tellurite glasses and the radiative lifetimes are in the range of 350 to 470 μs. The 1470 nm fluorescence is broad with a full width at half maximum of 105 nm. Fibers have been drawn from these glasses…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies