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X-ray diffraction from inhomogeneous thin films of nanometre thickness: modelling and experiment

François C. Bocquet、Patrice Gergaud、Ο. Thomas2003-01-21Journal of Applied Crystallography

The diffraction of X-rays by a thin layer (of the order of a few nanometres) with a gradient in interplanar spacings is considered. It is shown that optical coherence over the film thickness leads to diffraction peak positions that no longer obey Bragg's law. Although a fitting of the diffracted intensity is indeed st…

Magnetic properties of thin filmsMagnetic Properties and ApplicationsOptical Coatings and Gratings

Polyurethane‐infiltrated carbon foams: A coupling of thermal and mechanical properties

Timothy J. Bunning、Hong Goo Jeon、Ajit K. Roy 等 6 位作者2003-01-21Journal of Applied Polymer Science

Abstract The thermal and mechanical properties of polyurethane‐infiltrated carbon foam of various densities were investigated. By combining the high thermal conductivity of the carbon foam with the mechanical toughness of the pure polyurethane, a mechanically tough composite (relative to the unfilled foam) that could…

Polymer composites and self-healingFlame retardant materials and propertiesPolymer Foaming and Composites

Sulfation of silk fibroin by sulfuric acid and anticoagulant activity

Yasushi Tamada2003-01-21Journal of Applied Polymer Science

Abstract Silk fibroin ( Bombyx mori ) was sulfated with an aqueous sulfuric acid solution. The sulfated fibroin was characterized by Fourier transform infrared spectroscopy (FTIR), amino acid analysis, and gel filtration chromatography (GFC). Maximum yield was obtained at around 2–4 h, and it decreased at 6 h and more…

Polymer Surface Interaction StudiesViral Infectious Diseases and Gene Expression in InsectsSilk-based biomaterials and applications

Ordered Polyelectrolyte Multilayers. Rules Governing Layering in Organic Binary Multilayers

X. Arys、Peter Fischer、Alain M. Jonas 等 7 位作者2003-01-21Journal of the American Chemical Society

We study the growth and internal structure of polyelectrolyte multilayers obtained by combining three polyanions with nine polycations of the ionene family, of systematically varied chemical architecture. We find that, contrary to a generally held belief, ordered organic multilayers are by no way exceptional, provided…

Polymer Surface Interaction StudiesDendrimers and Hyperbranched PolymersMarine Biology and Environmental Chemistry

Nucleation and growth of Ag films on a quasicrystalline AlPdMn surface

V. Fournée、T. Cai、A. R. Ross 等 6 位作者2003-01-21Physical review. B, Condensed matter

Nucleation and growth of thin films of Ag on the fivefold surface of an ${\mathrm{Al}}_{72}{\mathrm{Pd}}_{19.5}{\mathrm{Mn}}_{8.5}$ icosahedral quasicrystal is studied with scanning-tunneling microscopy. For low coverages, flux-independent island nucleation is observed involving adatom capture at ``traps.'' With incre…

Theoretical and Computational PhysicsQuasicrystal Structures and Propertiesnanoparticles nucleation surface interactions

Branching Reactions in Polycarbonate: A Density Functional Study

Jaakko Akola、R. Jones2003-01-21Macromolecules

Branching can have a dramatic effect on the properties of polymers, and bisphenol A polycarbonate (BPA−PC) is no exception. We describe here the results of a density functional (DF) study of branching that can occur during transesterification reactions in BPA−PC in the presence of catalysts. We find that sodium phenox…

Polymer crystallization and propertiesFuel Cells and Related MaterialsPolymer Nanocomposites and Properties

Improved dihedral-angle restraints for protein structure refinement

John P. Priestle2003-01-21Journal of Applied Crystallography

Because of the relatively low-resolution diffraction of typical protein crystals, structure refinement is usually carried out employing stereochemical restraints to increase the effective number of observations. Well defined values for bond lengths and angles are available from small-molecule crystal structures. Such…

Protein Structure and DynamicsMass Spectrometry Techniques and ApplicationsEnzyme Structure and Function

A High-Pressure Iron K-Edge X-ray Absorption Spectral Study of the Spin-State Crossover in {Fe[HC(3,5-(CH3)2pz)3]2}I2and {Fe[HC(3,5-(CH3)2pz)3]2}(BF4)2

C. Piquer、Fernande Grandjean、Olivier Mathon 等 7 位作者2003-01-21Inorganic Chemistry

The room temperature iron K-edge X-ray absorption near edge structure spectra of (Fe[HC(3,5-(CH(3))(2)pz)(3)](2))I(2) and (Fe[HC(3,5-(CH(3))(2)pz)(3)](2))(BF(4))(2) have been measured between ambient and 88 and 94 kbar, respectively, in an opposed diamond anvil cell. The iron(II) in (Fe[HC(3,5-(CH(3))(2)pz)(3)](2))I(2…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesMetal-Catalyzed Oxygenation Mechanisms

Water‐Tolerant Solid Acid Catalysts

Toshio Okuhara2003-01-21ChemInform

Abstract For Abstract see ChemInform Abstract in Full Text.

Metal-Organic Frameworks: Synthesis and ApplicationsMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

DPX: for the analysis of the protein core

Alessandro Pintar、Oliviero Carugo、Sándor Pongor2003-01-21Bioinformatics

SUMMARY: In order to obtain an accurate description of the protein interior, we describe a simple and fast algorithm that measures the depth of each atom in a protein (dpx), defined as its distance (A) from the closest solvent accessible atom. The program reads a PDB file containing the atomic solvent accessibility in…

Protein Structure and DynamicsProtein purification and stabilityEnzyme Structure and Function

Unusual, Vesicle-like Patterned, Mesoscopically Ordered Silica

Anna Lind、Bernd Spliethoff、Mika Lindén2003-01-21Chemistry of Materials

A mixture of cationic and anionic surfactants has been used as structure-directing agents in the synthesis of mesoscopically ordered silica in the presence of toluene. The preferred interfacial curvature was adjusted by varying the anionic/cationic surfactant molar ratio, which allowed for better control of the solubi…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisPorphyrin and Phthalocyanine Chemistry

Phase-field approach to heterogeneous nucleation

Mario Castro2003-01-21Physical review. B, Condensed matter

We consider the problem of heterogeneous nucleation and growth. The system is described by a phase-field model in which the temperature is included through thermal noise. We show that this phase-field approach is suitable to describe homogeneous as well as heterogeneous nucleation starting from several general hypothe…

Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenananoparticles nucleation surface interactions

Evaluation of the free‐volume theory of diffusion

J. S. Vrentas、C. M. Vrentas2003-01-21Journal of Polymer Science Part B Polymer Physics

Abstract General characteristics of the free‐volume theory of diffusion are discussed, and a recent data‐theory comparison involving free‐volume theory is critically evaluated. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 501–507, 2003

Material Dynamics and PropertiesRheology and Fluid Dynamics StudiesComposite Material Mechanics

Dynamic mechanical study on the thermal aging of a hydroxyl‐terminated polybutadiene‐based energetic composite

José de la Fuente、Olga Rodríguez2003-01-21Journal of Applied Polymer Science

Abstract In an attempt to determine the aging behavior of hydroxyl‐terminated polybutadiene‐based composite solid propellants, viscoelastic measurements were used to study the effect of thermal aging on this kind of energetic material. Accelerated‐aging tests at 40, 60, and 80°C were performed for 5000 h. The changes…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesEnergetic Materials and Combustion

Fundamentals of Polymer Engineering, Revised and Expanded

Anil Kumar、Anil Kumar Gupta2003-01-21OpenAlex

Exploring the characterization, thermodynamics and structural, mechanical, thermal and transport behavior of polymers as melts, solutions and solids, this text covers essential concepts and breakthroughs in reactor design and polymer production and processing. It contains modern theories, end-of-chapter problems and r…

Polymer Science and PVC

Photoassisted Selective Catalytic Reduction of NO with Ammonia in the Presence of Oxygen over TiO2

Kentaro Teramura、Tsunehiro Tanaka、Takuzo Funabiki2003-01-21Langmuir

Selective catalytic reduction (SCR) of NO with NH 3 in the presence of O 2 takes place over titanium oxide under photoirradiation at low temperature. The active site of TiO 2 is suggested to be the Ti 4+ Lewis acid site. TiO 2 exhibits the weak Lewis acid property. NH 3 is adsorbed easily on the Lewis acid site as com…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceGas Sensing Nanomaterials and Sensors

A heating stage up to 1173 K for X-ray diffraction studies in the whole orientation space

Roland Resel、E. Tamas、Bernhard Sonderegger 等 5 位作者2003-01-21Journal of Applied Crystallography

A multi-purpose heating attachment designed primarily for X-ray four-circle diffractometers but applicable also for classical powder diffraction is presented. When working in reflection geometry, the air-cooled heating stage allows diffraction studies to be performed on plate-like samples up to 1173 K in the whole ori…

Machine Learning in Materials ScienceThermal and Kinetic AnalysisX-ray Diffraction in Crystallography

Atomic positional disorder in fcc metal nanocrystalline grain boundaries

P. M. Derlet、H. Van Swygenhoven2003-01-21Physical review. B, Condensed matter

We investigate the degree of grain boundary positional disorder in computer generated fcc nc-Ni samples, as a function of grain size. We find that these grain boundary atoms display a lack of a second peak in the pair distribution function by virtue of their classification, and find further that such a class of atoms…

Microstructure and mechanical propertiesFusion materials and technologiesIon-surface interactions and analysis

Primary Alkyl Amines as Latent Gelators and Their Organogel Adducts with Neutral Triatomic Molecules

M. V. George、Richard G. Weiss2003-01-21Langmuir

A series of organogelator salts has been prepared from n -alkylamines by the rapid in situ and isothermal (at room temperature) uptake of a neutral triatomic molecule, CO 2, NO 2, SO 2, or CS 2 . The organogels have been examined by differential scanning calorimetry, optical microscopy, and X-ray diffraction methods.…

Supramolecular Self-Assembly in MaterialsPhotochromic and Fluorescence ChemistryPolydiacetylene-based materials and applications

Polymeric Complexes with “Piperazine−Pyridine” Building Blocks: Synthesis, Network Structures, and Third-Order Nonlinear Optical Properties

Hongwei Hou、Yinglin Song、Hong Xu 等 8 位作者2003-01-21Macromolecules

A new bidentate “building block”, N,N ‘ -bis(3-pyridylformyl)piperazine (bpfp), was synthesized. X-ray diffraction studies reveal that the piperazine ring in bpfp forms a chairlike structure conformation. bpfp self-assembled into two-dimensional layered rhombohedral grid polymers {[Mn(H 2 O) 2 (SO 4 )(bpfp)](H 2 O) 3…

Metal-Organic Frameworks: Synthesis and ApplicationsCrystal structures of chemical compoundsNonlinear Optical Materials Research