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TWINLAWandHKLF5: two programs for the handling of non-merohedral twins

Michael Bolte2004-01-17Journal of Applied Crystallography

The program TWINLAW reads two orientation matrices obtained from a non-merohedrally twinned crystal and evaluates the twin law. In a second step, the program HKLF 5 uses this twin law to generate a reflection file for refinement with the HKLF5 option of the SHELXL program. The use of both programs is demonstrated by m…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyInorganic Fluorides and Related Compounds

Automatic determination of the morphotropic phase boundary in lead magnesium niobate titanate Pb(Mg1/3Nb2/3)(1−x)TixO3within a single crystal using birefringence imaging

D. Zekria、A. M. Glazer2004-01-17Journal of Applied Crystallography

A detailed phase diagram of Pb(Mg 1/3 Nb 2/3 ) (1− x ) Ti x O 3 , conventionally abbreviated to PMN-PT, has been constructed around the morphotropic phase boundary from measurements taken from one single crystal possessing a composition gradient. Optical birefringence imaging was employed as a function of temperature…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

Characterization of dislocations in protein crystals by means of synchrotron double-crystal topography

B. Capelle、Y. Epelboin、J. Härtwig 等 6 位作者2004-01-17Journal of Applied Crystallography

Hen egg-white lysozyme (HEWL) crystals have been studied by means of double-crystal synchrotron topography. The crystals reveal a number of features that are quite well known in hydrothermally grown inorganic crystals: dislocations, growth bands and growth sector boundaries. Dislocations in the 〈110〉 sectors have been…

Microstructure and mechanical propertiesEnzyme Structure and FunctionCrystallization and Solubility Studies

Development of Al/Al2O3-Coated Wire-Mesh Honeycombs for Catalytic Combustion of Volatile Organic Compounds in Air

Kyung Shik Yang、Jin Seong Choi、Soo Hyun Lee 等 4 位作者2004-01-17Industrial & Engineering Chemistry Research

A wire-mesh honeycomb (WMH) catalyst was constructed from alternating layers of flat and corrugated wire-mesh sheets packed within a frame. The wire-mesh sheets were first coated with aluminum particles using an electrophoretic deposition method. The coated layer was suitably porous and showed a good adherence to the…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceElectrophoretic Deposition in Materials Science

Rapid and accurate quantitative phase analysis using a fast detector

Alessandro F. Gualtieri、G. Brignoli2004-01-17Journal of Applied Crystallography

The accuracy of the weight fractions calculated with the Rietveld method for various polycrystalline systems using data collected for very short times (5–45 min) with an RTMS (real-time multiple strip) detector was verified. The weight estimates were compared with those obtained using the same conventional Bragg–Brent…

Cultural Heritage Materials AnalysisNuclear Physics and ApplicationsX-ray Diffraction in Crystallography

Diffraction line broadening due to lattice-parameter variations caused by a spatially varying scalar variable: its orientation dependence caused by locally varying nitrogen content in ∊-FeN0.433

Andreas Leineweber、E. J. Mittemeijer2004-01-17Journal of Applied Crystallography

The diffraction line broadening due to lattice-parameter variations caused by a position-dependent (spatial) scalar variable ( e.g. the composition) was analysed theoretically. It was shown that the anisotropy of the resulting microstrain-like line broadening depends on the symmetry of the crystal system of the phase…

X-ray Spectroscopy and Fluorescence AnalysisMachine Learning in Materials ScienceX-ray Diffraction in Crystallography

Protein crystallography with spallation neutrons: the user facility at Los Alamos Neutron Science Center

Paul Langan、G. L. Greene、B. P. Schoenborn2004-01-17Journal of Applied Crystallography

In this report a neutron protein crystallography station (PCS) is described that has been built at Los Alamos National Laboratory for the study of proteins using the wavelength-resolved Laue technique. This user facility is the first of its kind to be built at a spallation neutron source and the first to use the wavel…

Protein Structure and DynamicsEnzyme Structure and FunctionNuclear Physics and Applications

Self-Diffusion and Viscosity of Low Molecular Weight Polystyrene over a Wide Temperature Range

Osamu Urakawa、Stephen F. Swallen、M. D. Ediger 等 4 位作者2004-01-17Macromolecules

The self-diffusion coefficient D and the viscosity η of low molecular weight polystyrene (1.9 × 10 3 g/mol) have been measured from T g + 3 °C to T g + 160 °C. Forward recoil spectrometry (FReS) and pulsed-gradient spin-echo NMR methods were combined to determine D values covering more than 10 orders of magnitude. Ove…

Material Dynamics and PropertiesTheoretical and Computational PhysicsNMR spectroscopy and applications

Simultaneous refinement of structure and microstructure of layered materials

Matteo Leoni、Alessandro F. Gualtieri、Norberto Roveri2004-01-17Journal of Applied Crystallography

The recursive description of stacking in layered crystals, originally developed by Treacy et al. [ Proc. R. Soc. London Ser. A (1991), 433 , 499–520] and implemented in the DIFFaX code, is enclosed in a non-linear least-squares minimization routine and combined with additional models (of specimen-related broadening an…

Geological and Geochemical AnalysisHigh-pressure geophysics and materialsX-ray Diffraction in Crystallography

Reciprocal-space instrumental effects on the real-space neutron atomic pair distribution function

Xiangyun Qiu、Emil S. Božin、Pavol Juhás 等 5 位作者2004-01-17Journal of Applied Crystallography

An atomic pair distribution function (PDF) neutron powder diffraction round-robin experiment was performed on six diffractometers at three spallation sources. Instrument-specific effects on the real-space PDF were investigated, such as finite measurement range, the instrument resolution and the asymmetric shape of dif…

Machine Learning in Materials ScienceNuclear Physics and ApplicationsX-ray Diffraction in Crystallography

Mechanical Behavior of Alumina/Poly(methyl methacrylate) Nanocomposites

Benjamin J. Ash、Richard W. Siegel、Linda S. Schadler2004-01-17Macromolecules

Alumina/poly(methyl methacrylate) (PMMA) nanocomposites were synthesized using 38 and 17 nm alumina nanoparticles. At an optimum weight fraction, the resulting nanocomposites display a room-temperature brittle-to-ductile transition in uniaxial tension with an increase in the strain-to-failure that averages 40% strain…

Concrete and Cement Materials ResearchPolymer crystallization and propertiesPolymer Nanocomposites and Properties

Organic Polymeric Electrochromic Devices: Polychromism with Very High Coloration Efficiency

Gürsel Sönmez、Hong Meng、Fred Wudl2004-01-17Chemistry of Materials

The electrochromic properties of electrodeposited poly(1,4-bis(2-[3‘,4‘-ethylenedioxy]thienyl)-2-methoxy-5-2‘ ‘-ethylhexyloxybenzene) (P(BEDOT-MEHB)), a material for polymer electrochromic displays, are reported in detail. While the polymer is transparent in the fully oxidized state, two absorption bands obtained in t…

Perovskite Materials and ApplicationsConducting polymers and applicationsTransition Metal Oxide Nanomaterials

Magnetism and magnetoresistance of Dy1 xSmxMn6Ge6(x= 0.2–1.0) compounds

Ru-wu Wang、Ligang Zhang、Shao-ying Zhang 等 6 位作者2004-01-16Journal of Physics D Applied Physics

The magnetic and transport properties of Dy 1− x Sm x Mn 6 Ge 6 ( x = 0.2–1.0) have been investigated using x-ray diffraction (XRD) and magnetization measurements. Analysis of the XRD patterns indicates that the samples with x ⩽ 0.4 mainly consist of the HfFe 6 Ge 6 -type phase and the samples with 0.6 ⩽ x ⩽ 1.0 mainl…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsMagnetic Properties of Alloys

Compatibility of Elastomeric Materials with Gasohol

I. Nihalani、R. D. A. Paulmer、Yujian Rao2004-01-16SAE technical papers on CD-ROM/SAE technical paper series

<div class="htmlview paragraph">Considering the benefits associated with use of Gasoline doped with Ethanol, viz, cleaner environment, energy security, boost to agrarian economy, opening of new avenues of employment in rural sector, Government of India mandated the use of 5% Ethanol blended Gasoline (henceforth…

Structural Analysis of Composite MaterialsMaterial Properties and Applications

Pattern formation in microphase-separating copolymer gels

Nariya Uchida2004-01-16Journal of Physics Condensed Matter

Microphase separation in crosslinked diblock copolymers is investigated with a time-dependent Ginzburg–Landau model. Upon separation, polymers originally crosslinked in the homogeneous phase elongate parallel to the composition gradient. We take into account this elastic coupling as well as the random stress caused by…

Liquid Crystal Research AdvancementsTheoretical and Computational PhysicsBlock Copolymer Self-Assembly

Photoluminescence properties of Pb2+centres in CaS:Pb thin films

Yong Shin Kim、Sun Jin Yun2004-01-16Journal of Physics Condensed Matter

The emission and excitation spectra of CaS:Pb thin films have been obtained at 10 K together with the emission decay curves. The CaS:Pb samples were prepared with the variation of the concentration and the spatial uniformity of active Pb 2+ ions within the CaS host matrix using atomic layer deposition (ALD) and tetrae…

Luminescence Properties of Advanced MaterialsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Structure, mechanical, and thermal behavior of nylon 6‐polyisoprene block copolymers obtained via anionic polymerization

R. Mateva、R. Filyanova、R. Dimitrov 等 4 位作者2004-01-16Journal of Applied Polymer Science

Abstract The structure and physicomechanical properties of nylon 6 (N‐6) modified with polyethylene oxide–polyisoprene–polyethylene oxide (PEO‐PI‐PEO) copolymers via activated anionic polymerization have been investigated by using differential scanning calorimetry (DSC), wide‐angle X‐ray diffraction (WAXD), thermograv…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

The effect of annealing on magnetic and transport properties of La0.5Sr0.5CoO3 thin films

Y. M. Xiong、X H Chen、X. Luo 等 7 位作者2004-01-16Journal of Physics Condensed Matter

The effect of annealing on magnetic and transport properties in La 0.5 Sr 0.5 CoO 3−δ thin films is studied. The samples were prepared by annealing amorphous films at different temperatures. With increase in annealing temperature, the resistivity decreases, and the Curie temperature ( T c ) and negative magnetoresista…

Physics of Superconductivity and MagnetismMagnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter Physics

Extended x-ray absorption fine structure, x-ray diffraction and reverse Monte Carlo studies of an amorphous Ga50Se50alloy produced by mechanical alloying

K.D. Machado、P. Jóvári、J.C. de Lima 等 5 位作者2004-01-16Journal of Physics Condensed Matter

The local atomic order of an amorphous Ga50Se50 alloy produced by mechanical alloying (MA) was studied by the extended x-ray absorption fine structure (EXAFS) and x-ray diffraction (XRD) techniques and by reverse Monte Carlo (RMC) simulations of its total x-ray structure factor. The coordination numbers and interatomi…

Glass properties and applicationsPhase-change materials and chalcogenidesX-ray Diffraction in Crystallography

Structural Analysis of Polyoxymethylene Whisker Single Crystal by the Electron Diffraction Method

Kohji Tashiro、Toshiya Kamae、Hitoshi Asanaga 等 4 位作者2004-01-16Macromolecules

The whisker of polyoxymethylene produced in the cationic polymerization process of trioxane is a single crystal of extended chain crystal morphology. Since it has a quite small size of several microns in radius and several tens of microns in length, the crystal structure analysis of POM whisker had been tried by using…

Cultural Heritage Materials AnalysisMachine Learning in Materials ScienceElectron and X-Ray Spectroscopy Techniques