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Sample records for high-resolution powder diffraction

  1. High-resolution neutron powder-diffraction in CMR manganates

    Energy Technology Data Exchange (ETDEWEB)

    Suard, E.; Radaelli, P.G. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    Manganese-oxide materials have recently been the subject of renewed attention, due to the `colossal` magnetoresistance (CMR) displayed near the spin-ordering temperature T{sub c} by some of these compounds. CMR has been evidenced in at least three families of manganese oxides. In most cases, the CMR compounds behave as paramagnetic semiconductors at high temperatures, and as ferromagnetic metals below T{sub c}. The study of this metallization process has lead some theorists to challenge its traditional interpretation in terms of the so-called double-exchange mechanism, and to propose alternative scenarios in which the coupling of the charge carriers with the lattice plays a paramount role. Powder diffraction method, being at the forefront of CMR research is presented. (author). 4 refs.

  2. Structure determination of two metal-organic complexes from high-resolution synchotron powder diffraction dztz

    NARCIS (Netherlands)

    Dova, E.; Goubitz, K.; van Langevelde, A.; Driessen, R.; Mahabiersing, T.; Blaauw, R.; Peschar, R.; Schenk, H.

    2001-01-01

    The crystal structures of [1,2-bis(2,6-diisopropylphenylimino)acenaphthene-N,N′] carbonylchlororhodium(I) (1) and [N,N′-ethylene-nis(3-methylsalicylideneiminato)-O, N, N′, O′](tetrahydrofurfuryl)-cobalt(II) (2) have been determined from high-resolution synchrotron X-ray powder diffraction data.

  3. Beamline I11 at Diamond: a new instrument for high resolution powder diffraction.

    Science.gov (United States)

    Thompson, S P; Parker, J E; Potter, J; Hill, T P; Birt, A; Cobb, T M; Yuan, F; Tang, C C

    2009-07-01

    The performance characteristics of a new synchrotron x-ray powder diffraction beamline (I11) at the Diamond Light Source are presented. Using an in-vacuum undulator for photon production and deploying simple x-ray optics centered around a double-crystal monochromator and a pair of harmonic rejection mirrors, a high brightness and low bandpass x-ray beam is delivered at the sample. To provide fast data collection, 45 Si(111) analyzing crystals and detectors are installed onto a large and high precision diffractometer. High resolution powder diffraction data from standard reference materials of Si, alpha-quartz, and LaB6 are used to characterize instrumental performance.

  4. Structure determination of two metal-organic complexes from high-resolution synchrotron powder diffraction data.

    Science.gov (United States)

    Dova, E; Goubitz, K; van Langevelde, A; Driessen, R; Mahabiersing, T; Blaauw, R; Peschar, R; Schenk, H

    2001-11-01

    The crystal structures of [1,2-bis(2,6-diisopropylphenylimino)acenaphthene-N,N']carbonylchlororhodium(I) (1) and [N,N'-ethylene-bis(3-methylsalicylideneiminato)-O,N,N',O'](tetrahydrofurfuryl)-cobalt(II) (2) have been determined from high-resolution synchrotron X-ray powder diffraction data. Compound 1 is the first neutral Rh complex, in contrast with findings in the literature, containing a bidentate nitrogen ligand, and compound 2 is the first three-dimensional structure of a (five-coordinated) tetrahydrofurfurylcobalt(III) complex. Grid-search and Rietveld refinement have been used to determine and refine the structures, respectively. Crystals of 1 are orthorhombic, space group Pbca, Z = 8, with cell parameters a = 21.729 (2), b = 27.376 (3), c = 11.580 (1) A. Crystals of 2 are monoclinic, space group P2(1)/n, Z = 4, a = 16.6701 (6), b = 9.4170 (4), c = 13.7088 (7) A and beta = 96.520 (3) degrees. Chemical diagrams for the two compounds are given. Soft restraints were applied during Rietveld refinement; for 1 converging to R(p) = 8.4%, R(w) = 11.0%, GoF = 2.3, and for 2 converging to R(p) = 8.5%, R(w) = 11.4%, GoF = 7.6.

  5. Beamline P02.1 at PETRA III for high-resolution and high-energy powder diffraction.

    Science.gov (United States)

    Dippel, Ann-Christin; Liermann, Hanns-Peter; Delitz, Jan Torben; Walter, Peter; Schulte-Schrepping, Horst; Seeck, Oliver H; Franz, Hermann

    2015-05-01

    Powder X-ray diffraction techniques largely benefit from the superior beam quality provided by high-brilliance synchrotron light sources in terms of photon flux and angular resolution. The High Resolution Powder Diffraction Beamline P02.1 at the storage ring PETRA III (DESY, Hamburg, Germany) combines these strengths with the power of high-energy X-rays for materials research. The beamline is operated at a fixed photon energy of 60 keV (0.207 Å wavelength). A high-resolution monochromator generates the highly collimated X-ray beam of narrow energy bandwidth. Classic crystal structure determination in reciprocal space at standard and non-ambient conditions are an essential part of the scientific scope as well as total scattering analysis using the real space information of the pair distribution function. Both methods are complemented by in situ capabilities with time-resolution in the sub-second regime owing to the high beam intensity and the advanced detector technology for high-energy X-rays. P02.1's efficiency in solving chemical and crystallographic problems is illustrated by presenting key experiments that were carried out within these fields during the early stage of beamline operation.

  6. Powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Hart, M.

    1995-12-31

    the importance of x-ray powder diffraction as an analytical tool for phase identification of materials was first pointed out by Debye and Scherrer in Germany and, quite independently, by Hull in the US. Three distinct periods of evolution lead to ubiquitous application in many fields of science and technology. In the first period, until the mid-1940`s, applications were and developed covering broad categories of materials including inorganic materials, minerals, ceramics, metals, alloys, organic materials and polymers. During this formative period, the concept of quantitative phase analysis was demonstrated. In the second period there followed the blossoming of technology and commercial instruments became widely used. The history is well summarized by Parrish and by Langford and Loueer. By 1980 there were probably 10,000 powder diffractometers in routine use, making it the most widely used of all x-ray crystallographic instruments. In the third, present, period data bases became firmly established and sophisticated pattern fitting and recognition software made many aspects of powder diffraction analysis routine. High resolution, tunable powder diffractometers were developed at sources of synchrotron radiation. The tunability of the spectrum made it possible to exploit all the subtleties of x-ray spectroscopy in diffraction experiments.

  7. High-resolution inelastic neutron scattering and neutron powder diffraction study of the adsorption of dihydrogen by the Cu(II) metal-organic framework material HKUST-1

    Science.gov (United States)

    Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Millange, Franck; Walton, Richard I.

    2013-12-01

    We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal-organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal-organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host.

  8. Powder diffraction at ALBA synchrotron

    OpenAIRE

    Aranda, Miguel A. G.

    2017-01-01

    This talk is devoted to explain the uses of powder diffraction at MSPD (material science and powder diffraction) of ALBA synchrotron light source. General characteristics of the beamline are: Station 1 - High Pressure Diffraction on powders with diamond anvil cell (DAC) and CCD detector. Microdiffraction; and Station 2 - High Resolution Powder Diffraction with Multicrystal- and Silicon-Strip detector. Energy Range: 8-50keV; Typical beam size: 4x1mm; all typical sample geometries possible: cap...

  9. High-resolution inelastic neutron scattering and neutron powder diffraction study of the adsorption of dihydrogen by the Cu(II) metal–organic framework material HKUST-1

    Energy Technology Data Exchange (ETDEWEB)

    Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I.F. [ISIS Facility, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, OX11 0QX (United Kingdom); Millange, Franck [Institut Lavoisier Versailles (CNRS UMR 8180), Université de Versailles, 78035 Versailles (France); Walton, Richard I., E-mail: r.i.walton@warwick.ac.uk [Department of Chemistry, University of Warwick, CV4 7AL, Coventry (United Kingdom)

    2013-12-12

    Highlights: • Binding sites for dihydrogen in a metal–organic framework have been identified. • The combination of diffraction and spectroscopy shows competitive filling of various adsorption sites. • Inelastic neutron scattering over wide-momentum transfer reveals new models for hydrogen-framework interactions. - Abstract: We present new high-resolution inelastic neutron scattering (INS) spectra (measured using the TOSCA and MARI instruments at ISIS) and powder neutron diffraction data (measured on the diffractometer WISH at ISIS) from the interaction of the prototypical metal–organic framework HKUST-1 with various dosages of dihydrogen gas. The INS spectra show direct evidence for the sequential occupation of various distinct sites for dihydrogen in the metal–organic framework, whose population is adjusted during increasing loading of the guest. The superior resolution of TOSCA reveals subtle features in the spectra, not previously reported, including evidence for split signals, while complementary spectra recorded on MARI present full information in energy and momentum transfer. The analysis of the powder neutron patterns using the Rietveld method shows a consistent picture, allowing the crystallographic indenisation of binding sites for dihydrogen, thus building a comprehensive picture of the interaction of the guest with the nanoporous host.

  10. High resolution powder blast micromachining

    NARCIS (Netherlands)

    Wensink, H.; Berenschot, Johan W.; Jansen, Henricus V.; Elwenspoek, Michael Curt

    2000-01-01

    Powder blasting, or Abrasive Jet Machining (AJM), is a technique in which a particle jet is directed towards a target for mechanical material removal. It is a fast, cheap and accurate directional etch technique for brittle materials like glass, silicon and ceramics. By introducing electroplated

  11. Crystal-structure analysis of four mineral samples of anhydrite, CaSO[subscript 4], using synchrotron high-resolution powder X-ray diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Antao, Sytle M. (Calgary)

    2014-05-28

    The crystal structures of four samples of anhydrite, CaSO{sub 4}, were obtained by Rietveld refinements using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data and space group Amma. As an example, for one sample of anhydrite from Hants County, Nova Scotia, the unit-cell parameters are a = 7.00032(2), b = 6.99234(1), c = 6.24097(1) {angstrom}, and V = 305.487(1) {angstrom}{sup 3} with a > b. The eight-coordinated Ca atom has an average distance of 2.4667(4) {angstrom}. The tetrahedral SO{sub 4} group has two independent S-O distances of 1.484(1) to O1 and 1.478(1) {angstrom} to O2 and an average distance of 1.4810(5) {angstrom}. The three independent O-S-O angles [108.99(8) x 1, 110.38(3) x 4, 106.34(9){sup o} x 1; average [6] = 109.47(2){sup o}] and S-O distances indicate that the geometry of the SO{sub 4} group is quite distorted in anhydrite. The four anhydrite samples have structural trends where the a, b, and c unit-cell parameters increase linearly with increasing unit-cell volume, V, and their average and distances are nearly constant. The grand mean = 2.4660(2) {angstrom}, and grand mean = 1.4848(3) {angstrom}, the latter is longer than 1.480(1) {angstrom} in celestite, SrSO{sub 4}, as expected.

  12. Structural studies of a non-stoichiometric channel hydrate using high resolution X-ray powder diffraction, solid-state nuclear magnetic resonance, and moisture sorption methods.

    Science.gov (United States)

    Kiang, Y-H; Cheung, Eugene; Stephens, Peter W; Nagapudi, Karthik

    2014-09-01

    Structural investigations of a nonstoichiometric hydrate, AMG 222 tosylate, a DPP-IV inhibitor in clinical development for type II diabetes, were performed using a multitechnique approach. The moisture sorption isotherm is in good agreement with a simple Langmuir model, suggesting that the hydrate water is located in well-defined crystallographic sites, which become vacant during dehydration. Crystal structures of AMG 222 tosylate at ambient and dry conditions were determined from high-resolution X-ray diffraction using the direct space method. On the basis of these crystal structures, hydrated water is located in channels formed by the drug framework. Upon dehydration, an isostructural dehydrate is formed with the channels remaining void and accessible to water for rehydration. Kitaigorodskii packing coefficients of the solid between relative humidity of 0% and 90% indicate that the equilibrium form of AMG 222 tosylate is the fully hydrated monohydrate. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  13. A combined approach for characterisation of fresh and brined vine leaves by X-ray powder diffraction, NMR spectroscopy and direct infusion high resolution mass spectrometry.

    Science.gov (United States)

    Rizzuti, Antonino; Caliandro, Rocco; Gallo, Vito; Mastrorilli, Piero; Chita, Giuseppe; Latronico, Mario

    2013-12-01

    X-ray powder diffraction was combined, for the first time, with Nuclear Magnetic Resonance spectroscopy and direct infusion mass spectrometry to characterise fresh and brined grape leaves. Covariance analysis of data generated by the three techniques was performed with the aim to correlate information deriving from the solid part with those obtained for soluble metabolites. The results obtained indicate that crystalline components can be correlated to the metabolites contained in the grape leaves, paving the way to the use of X-ray diffraction analysis for food fingerprinting purposes. Moreover it was ascertained that, differently from most of the metabolites present in the fresh vine leaves, linolenic acid (an omega-3-fatty acid) and quercetin-3-O-glucuronide (a polyphenol metabolite) do not undergo sensible degradation during the brining process, which is used as preservative method for the grape leaves. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. X-ray photoelectron spectroscopy, high-resolution X-ray diffraction ...

    Indian Academy of Sciences (India)

    Powder X-ray diffraction studies were carried out on doped lithium niobate for phase identification. High-resolution X-ray diffraction technique was used to study the crystalline quality through full-width at half-maximum values. The refractive index values are more for doped samples than for pure sample as determined by ...

  15. High resolution X-ray diffraction studies on unirradiated and ...

    Indian Academy of Sciences (India)

    High-resolution X-ray diffraction technique, employing a three-crystal monochromator–collimator ... observed by high-resolution electron microscopy in both ..... 1988 Nucl. Instrum. Meth. B34 228. Kato N 1992 J. Acta Crystallogr. A48 834. Kaur B, Bhat M, Licci F, Kumar R, Kotru P N and Bamzai K K. 2004 Nucl. Instrum. Meth ...

  16. High-resolution X-ray diffraction studies of multilayers

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; Hornstrup, Allan; Schnopper, H. W.

    1988-01-01

    High-resolution X-ray diffraction studies of the perfection of state-of-the-art multilayers are presented. Data were obtained using a triple-axis perfect-crystal X-ray diffractometer. Measurements reveal large-scale figure errors in the substrate. A high-resolution triple-axis set up is required...

  17. Powder Diffraction: By Decades

    Science.gov (United States)

    David, William I. F.

    This introductory chapter reviews the first 100 years of powder diffraction, decade by decade, from the earliest X-ray powder diffraction measurements of the crystal structure of graphite through to the diversity and complexity of twenty-first century powder diffraction. Carbon features as an illustrative example throughout the discussion of these ten decades from graphite and the disorder of carbon black through to lonsdaleite, the elusive hexagonal polymorph of diamond, and C60, the most symmetrical of molecules. Electronics and computing have played a leading role in the development of powder diffraction, particularly over the past 60 years, and the Moore's Law decade-by-decade rise in computing power is clear in the increasing complexity of powder diffraction experiments and material systems that can be studied. The chapter concludes with a final discussion of decades - the four decades of length-scale from the ångstrom to the micron that not only represent the domain of powder diffraction but are also the distances that will dominate twenty-first century science and technology.

  18. Neutron Powder Diffraction Measurements of the Spinel MgGa 2 O 4 :Cr 3+ - A Comparative Study between the High Flux Diffractometer D2B at the ILL and the High Resolution Powder Diffractometer Aurora at IPEN

    DEFF Research Database (Denmark)

    Silva, M A F M da; Sosman, L P; Yokaichiya, F

    2012-01-01

    and MgGa 2 O 4 and relate structural changes observed in MgGa 2 O 4 -Ga 2 O 3 system to the optical properties, and secondly, to compare the neutron powder diffraction results obtained using two diffractometers: D2B located at the ILL (Grenoble, France) and Aurora located at IPEN (São Paulo, Brazil......). In the configuration chosen, Aurora shows an improved resolution, which is related to the design of its silicon focusing monochromator....

  19. High resolution X-ray diffraction studies on unirradiated and ...

    Indian Academy of Sciences (India)

    High-resolution X-ray diffraction technique, employing a three-crystal monochromator–collimator combination is used to study the irradiation induced defects in flux grown Sr-hexaferrite crystals irradiated with 50 MeV Li3+ ion beams at room temperature with a fluence value of 1 × 1014 ions/cm2. The diffraction curves of the ...

  20. A high resolution powder diffractometer using focusing optics

    Indian Academy of Sciences (India)

    Research Centre, Mumbai 400 085, India. *Corresponding author. E-mail: siruguri@csr.ernet.in. Abstract. In this paper, we describe the design, construction and performance of a new high resolution neutron powder diffractometer that has been installed at the Dhruva reactor, Trombay, India. The instrument employs novel ...

  1. Neutron Powder Diffraction Measurements of the Spinel MgGa2O4:Cr3+ - A Comparative Study between the High Flux Diffractometer D2B at the ILL and the High Resolution Powder Diffractometer Aurora at IPEN

    Science.gov (United States)

    da Silva, M. A. F. M.; Sosman, L. P.; Yokaichiya, F.; Mazzocchi, V. L.; Parente, C. B. R.; Mestnik-Filho, J.; Henry, P. F.; Bordallo, H. N.

    2012-02-01

    Optical materials that emit from the visible to the near-infrared spectral region are of great interest due to their possible application as tunable radiation sources, as signal transmission, display, optoelectronics signal storage, cellulose industry as well as in dosimetry. One important family of such systems are the spinel compounds doped with Cr3+, in which the physical the properties are related to the insertion of punctual defects in the crystalline structure. The purpose of our work is two fold. First, we compare the luminescence of the MgGa2O4-Ga2O3 system with the single phase Ga2O3 and MgGa2O4 and relate structural changes observed in MgGa2O4-Ga2O3 system to the optical properties, and secondly, to compare the neutron powder diffraction results obtained using two diffractometers: D2B located at the ILL (Grenoble, France) and Aurora located at IPEN (São Paulo, Brazil). In the configuration chosen, Aurora shows an improved resolution, which is related to the design of its silicon focusing monochromator.

  2. Optical diffraction tomography for high resolution live cell imaging

    Science.gov (United States)

    Sung, Yongjin; Choi, Wonshik; Fang-Yen, Christopher; Badizadegan, Kamran; Dasari, Ramachandra R.; Feld, Michael S.

    2009-01-01

    We report the experimental implementation of optical diffraction tomography for quantitative 3D mapping of refractive index in live biological cells. Using a heterodyne Mach-Zehnder interferometer, we record complex field images of light transmitted through a sample with varying directions of illumination. To quantitatively reconstruct the 3D map of complex refractive index in live cells, we apply optical diffraction tomography based on the Rytov approximation. In this way, the effect of diffraction is taken into account in the reconstruction process and diffraction-free high resolution 3D images are obtained throughout the entire sample volume. The quantitative refractive index map can potentially serve as an intrinsic assay to provide the molecular concentrations without the addition of exogenous agents and also to provide a method for studying the light scattering properties of single cells. PMID:19129896

  3. High-resolution diffraction grating interferometric transducer of linear displacements

    Science.gov (United States)

    Shang, Ping; Xia, Haojie; Fei, Yetai

    2016-01-01

    A high-resolution transducer of linear displacements is presented. The system is based on semiconductor laser illumination and a diffraction grating applied as a length master. The theory of the optical method is formulated using Doppler description. The relationship model among the interference strips, measurement errors, grating deflection around the X, Y and Z axes and translation along the Z axis is built. The grating interference strips' direction and space is not changed with movement along the X (direction of grating movement), Y (direction of grating line), Z axis, and the direction and space has a great effect when rotating around the X axis. Moreover the space is little affected by deflection around the Z axis however the direction is changed dramatically. In addition, the strips' position shifted rightward or downwards respectively for deflection around the X or Y axis. Because the emitted beams are separated on the grating plane, the tilt around the X axis error of the stage during motion will lead to the optical path difference of the two beams resulting in phase shift. This study investigates the influence of the tilt around the X axis error. Experiments show that after yaw error compensation, the high-resolution diffraction grating interferometric transducer readings can be significantly improved. The error can be reduced from +/-80 nm to +/-30 nm in maximum.

  4. High-resolution structure of viruses from random diffraction snapshots

    CERN Document Server

    Hosseinizadeh, A; Dashti, A; Fung, R; D'Souza, R M; Ourmazd, A

    2014-01-01

    The advent of the X-ray Free Electron Laser (XFEL) has made it possible to record diffraction snapshots of biological entities injected into the X-ray beam before the onset of radiation damage. Algorithmic means must then be used to determine the snapshot orientations and thence the three-dimensional structure of the object. Existing Bayesian approaches are limited in reconstruction resolution typically to 1/10 of the object diameter, with the computational expense increasing as the eighth power of the ratio of diameter to resolution. We present an approach capable of exploiting object symmetries to recover three-dimensional structure to high resolution, and thus reconstruct the structure of the satellite tobacco necrosis virus to atomic level. Our approach offers the highest reconstruction resolution for XFEL snapshots to date, and provides a potentially powerful alternative route for analysis of data from crystalline and nanocrystalline objects.

  5. A compact high-resolution X-ray powder diffractometer.

    Science.gov (United States)

    Fewster, Paul F; Trout, David R D

    2013-12-01

    A new powder diffractometer operating in transmission mode is described. It can work as a rapid very compact instrument or as a high-resolution instrument, and the sample preparation is simplified. The incident beam optics create pure Cu K α 1 radiation, giving rise to peak widths of ∼0.1° in 2θ in compact form with a sample-to-detector minimum radius of 55 mm, reducing to peak widths of advantage of this geometry is that the resolution of the diffractometer can be calculated precisely and the instrumental artefacts can be analysed easily without a sample present. The performance is demonstrated with LaB 6 and paracetamol, and a critical appraisal of the uncertainties in the measurements is presented. The instantaneous data collection offers possibilities in dynamic experiments.

  6. Phonons from neutron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Dimitrov, D.A.; Louca, D.; Roeder, H. (Los Alamos National Laboratory, Los Alamos, New Mexico 87544 (United States))

    1999-09-01

    The spherically averaged structure function S([vert bar][bold q][vert bar]) obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of S([vert bar][bold q][vert bar]) to real space, as is done in the pair density function (PDF) analysis, regularizes the data, i.e., it accentuates the diffuse scattering. We present a technique which enables the extraction of off-center ([vert bar][bold q][vert bar][ne]0) phonon information from powder diffraction experiments by comparing the experimental PDF with theoretical calculations based on standard interatomic potentials and the crystal symmetry. This procedure [dynamics from powder diffraction] has been [ital successfully] implemented as demonstrated here for two systems, a simple metal fcc Ni and an ionic crystal CaF[sub 2]. Although computationally intensive, this data analysis allows for a phonon based modeling of the PDF, and additionally provides off-center phonon information from neutron powder diffraction. [copyright] [ital 1999] [ital The American Physical Society

  7. Electron Diffraction and High-Resolution Electron Microscopy of Mineral Structures

    Science.gov (United States)

    Nord, Gordon L., Jr.

    This book is a well-written English translation of the original 1981 Russian edition, Strukturnoye issledovaniye mineralov metodami mikrodifraktsii i elechtronnoi mikroskopii vysokogo razresheniya. The 1987 English version has been extensively updated and includes references up to 1986. The book is essentially a text on the theoretical and experimental aspects of transmission electron microscopy and has chapters on the reciprocal lattice, electron diffraction (both kinematic and dynamic), and high-resolution electron microscopy.Electron diffraction is emphasized, especially its use for structure analysis of poorly crystalline and fine-grained phases not readily determined by the more exact X ray diffraction method. Two methods of electron diffraction are discussed: selected area electron diffraction (SAED) and oblique-texture electron diffraction (OTED); the latter technique is rarely used in the west and is never discussed in western electron microscopy texts. A SAED pattern is formed by isolating a small micrometer-size area with an aperture and obtaining single-crystal patterns from the diffracted beams. By tilting the sample and obtaining many patterns, a complete picture of the reciprocal lattice can be taken. An OTED pattern is formed when the incident electron beam passes through an inclined preparation consisting of a great number of thin platy crystals lying normal to the texture axis (axis normal to the support grid). To form an OTED pattern, the plates must all lie on a common face, such as a basal plane in phyllosilicates. Upon tilting the plates, an elliptical powder diffraction pattern is formed. Intensities measured from these patterns are used for a structural analysis of the platy minerals.

  8. High-Resolution Single-Grain Diffraction of Polycrystalline Materials

    DEFF Research Database (Denmark)

    Lienert, Ulrich; Ribárik, Gábor; Ungar, Tamas

    2017-01-01

    . The microstructure usually influences the materials properties critically. It has been demonstrated that, by using high-energy synchrotron radiation, diffraction peaks off individual grains can be recorded in-situ during processing. Important information such as the orientation, average strain, and size...... of individual grains can be obtained, even if the peak shapes are commonly not analyzed. However, it is also well-known that the shape of diffraction peaks, if observed with sufficient resolution, contains significant information about the microstructure. While the intensity distribution in reciprocal space......). Conventional radial profile (line shape) analysis techniques average over many grains with possibly significantly different microstructure. Under conditions of single-grain diffraction, these limitations are overcome and the intensity distributions along all three directions of reciprocal space are accessible....

  9. A high-resolution neutron powder diffraction investigation of galena (PbS) between 10 K and 350 K: no evidence for anomalies in the lattice parameters or atomic displacement parameters in galena or altaite (PbTe) at temperatures corresponding to the saturation of cation disorder.

    Science.gov (United States)

    Knight, K S

    2014-09-24

    The temperature dependences of the unit cell parameter and the atomic displacement parameters (adp) for galena (PbS) have been measured using high resolution neutron powder diffraction in the temperature interval 10-350 K. No evidence has been found for the anomalous behaviour recently reported in a total scattering study of galena, in which the temperature variation of both the unit cell and the adp for lead are reported to undergo a dramatic reduction at a temperature of ~250 K. The linear thermal expansion coefficient calculated from the powder diffraction study is found to be in excellent agreement with literature values over the entire temperature interval studied, and approximately 25% greater at room temperature than that determined by analysis of the pair distribution function (pdf) derived from the total scattering data. This discrepancy is shown to be attributable to a linear, temperature-dependent offset from the published temperatures in the total scattering study, and has arisen from the sample temperature being significantly lower than the experimental set point temperature. Applying this correction to the adps of the lead cation removes the anomalous temperature dependence and shows the pdf results are in agreement with the neutron powder diffraction results. Application of the identical temperature offsets to the results of the pdf analysis of data collected on altaite (PbTe) eliminates the anomalous behaviour in the unit cell and the adp for lead, bringing them in line with literature values. Contrary to the conclusions of the pdf analysis, adps for the lead cation in both galena and altaite can be described in terms of Debye-like behaviour and are consistent with the partial phonon density of states.

  10. Characterization of high-resolution diffractive X-ray optics by ptychographic coherent diffractive imaging.

    Science.gov (United States)

    Vila-Comamala, Joan; Diaz, Ana; Guizar-Sicairos, Manuel; Mantion, Alexandre; Kewish, Cameron M; Menzel, Andreas; Bunk, Oliver; David, Christian

    2011-10-24

    We have employed ptychographic coherent diffractive imaging to completely characterize the focal spot wavefield and wavefront aberrations of a high-resolution diffractive X-ray lens. The ptychographic data from a strongly scattering object was acquired using the radiation cone emanating from a coherently illuminated Fresnel zone plate at a photon energy of 6.2 keV. Reconstructed images of the object were retrieved with a spatial resolution of 8 nm by combining the difference-map phase retrieval algorithm with a non-linear optimization refinement. By numerically propagating the reconstructed illumination function, we have obtained the X-ray wavefield profile of the 23 nm round focus of the Fresnel zone plate (outermost zone width, Δr = 20 nm) as well as the X-ray wavefront at the exit pupil of the lens. The measurements of the wavefront aberrations were repeatable to within a root mean square error of 0.006 waves, and we demonstrate that they can be related to manufacturing aspects of the diffractive optical element and to errors on the incident X-ray wavefront introduced by the upstream beamline optics. © 2011 Optical Society of America

  11. Synchrotron powder diffraction on Aztec blue pigments

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez del Rio, M. [European Synchrotron Radiation Facility, B.P. 220, Grenoble Cedex (France); Gutierrez-Leon, A.; Castro, G.R.; Rubio-Zuazo, J. [Spanish CRG Beamline at the European Synchrotron Radiation Facility, SpLine, B.P. 220, Grenoble Cedex (France); Solis, C. [Universidad Nacional Autonoma de Mexico, Instituto de Fisica, Mexico, D.F. (Mexico); Sanchez-Hernandez, R. [INAH Subdireccion de Laboratorios y Apoyo Academico, Mexico, D.F. (Mexico); Robles-Camacho, J. [INAH Centro Regional Michoacan, Morelia, Michoacan (Mexico); Rojas-Gaytan, J. [INAH Direccion de Salvamento Arqueologico, Naucalpan de Juarez (Mexico)

    2008-01-15

    Some samples of raw blue pigments coming from an archaeological rescue mission in downtown Mexico City have been characterized using different techniques. The samples, some recovered as a part of a ritual offering, could be assigned to the late Aztec period (XVth century). The striking characteristic of these samples is that they seem to be raw pigments prior to any use in artworks, and it was possible to collect a few {mu}g of pigment after manual grain selection under a microscopy monitoring. All pigments are made of indigo, an organic colorant locally known as anil or xiuhquilitl. The colorant is always found in combination with an inorganic matrix, studied by powder diffraction. In one case the mineral base is palygorskite, a rare clay mineral featuring micro-channels in its structure, well known as the main ingredient of the Maya blue pigment. However, other samples present the minerals sepiolite (a clay mineral of the palygorskite family) and calcite. Another sample contains barite, a mineral never reported in prehispanic paints. We present the results of characterization using high resolution powder diffraction recorded at the European Synchrotron Radiation Facility (BM25A, SpLine beamline) complemented with other techniques. All of them gave consistent results on the composition. A chemical test on resistance to acids was done, showing a high resistance for the palygorskite and eventually sepiolite compounds, in good agreement with the excellent resistance of the Maya blue. (orig.)

  12. Study on High Resolution Membrane-Based Diffractive Optical Imaging on Geostationary Orbit

    Science.gov (United States)

    Jiao, J.; Wang, B.; Wang, C.; Zhang, Y.; Jin, J.; Liu, Z.; Su, Y.; Ruan, N.

    2017-05-01

    Diffractive optical imaging technology provides a new way to realize high resolution earth observation on geostationary orbit. There are a lot of benefits to use the membrane-based diffractive optical element in ultra-large aperture optical imaging system, including loose tolerance, light weight, easy folding and unfolding, which make it easy to realize high resolution earth observation on geostationary orbit. The implementation of this technology also faces some challenges, including the configuration of the diffractive primary lens, the development of high diffraction efficiency membrane-based diffractive optical elements, and the correction of the chromatic aberration of the diffractive optical elements. Aiming at the configuration of the diffractive primary lens, the "6+1" petal-type unfold scheme is proposed, which consider the compression ratio, the blocking rate and the development complexity. For high diffraction efficiency membrane-based diffractive optical element, a self-collimating method is proposed. The diffraction efficiency is more than 90 % of the theoretical value. For the chromatic aberration correction problem, an optimization method based on schupmann is proposed to make the imaging spectral bandwidth in visible light band reach 100 nm. The above conclusions have reference significance for the development of ultra-large aperture diffractive optical imaging system.

  13. High-resolution neutron diffraction studies of biological and industrial fibres

    Energy Technology Data Exchange (ETDEWEB)

    Langan, P.; Mason, S.A. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France); Fuller, W.; Forsyth, V.T.; Mahendrasingam, A.; Shotton, M.; Simpson, L. [Keele Univ. (United Kingdom); Grimm, H. [FZ, Juelich (Germany); Leberman, R. [EMBL, (Country Unknown)

    1997-04-01

    Neutron diffraction is becoming an important tool for studying fibres due to its complementarity to X-ray diffraction. Unlike X-rays, scattering of neutrons by polymer atoms is not a function of their atomic number. In high-resolution studies (1.5-3 A) on D19 deuteration (replacing H by D) is being used to change the relative scattering power of chosen groups making them easier to locate. Recent studies on DNA and cellulose are described. (author). 6 refs.

  14. Pulsed Neutron Powder Diffraction for Materials Science

    Science.gov (United States)

    Kamiyama, T.

    2008-03-01

    The accelerator-based neutron diffraction began in the end of 60's at Tohoku University which was succeeded by the four spallation neutron facilities with proton accelerators at the High Energy Accelerator Research Organization (Japan), Argonne National Laboratory and Los Alamos Laboratory (USA), and Rutherford Appleton Laboratory (UK). Since then, the next generation source has been pursued for 20 years, and 1MW-class spallation neutron sources will be appeared in about three years at the three parts of the world: Japan, UK and USA. The joint proton accelerator project (J-PARC), a collaborative project between KEK and JAEA, is one of them. The aim of the talk is to describe about J-PARC and the neutron diffractometers being installed at the materials and life science facility of J-PARC. The materials and life science facility of J-PARC has 23 neutron beam ports and will start delivering the first neutron beam of 25 Hz from 2008 May. Until now, more than 20 proposals have been reviewed by the review committee, and accepted proposal groups have started to get fund. Those proposals include five polycrystalline diffractometers: a super high resolution powder diffractometer (SHRPD), a 0.2%-resolution powder diffractometer of Ibaraki prefecture (IPD), an engineering diffractometers (Takumi), a high intensity S(Q) diffractometer (VSD), and a high-pressure dedicated diffractometer. SHRPD, Takumi and IPD are being designed and constructed by the joint team of KEK, JAEA and Ibaraki University, whose member are originally from the KEK powder group. These three instruments are expected to start in 2008. VSD is a super high intensity diffractometer with the highest resolution of Δd/d = 0.3%. VSD can measure rapid time-dependent phenomena of crystalline materials as well as glass, liquid and amorphous materials. The pair distribution function will be routinely obtained by the Fourier transiformation of S(Q) data. Q range of VSD will be as wide as 0.01 Å-1science and

  15. Ultra-high aspect ratio high-resolution nanofabrication for hard X-ray diffractive optics

    Science.gov (United States)

    Chang, Chieh; Sakdinawat, Anne

    2014-06-01

    Although diffractive optics have played a major role in nanoscale soft X-ray imaging, high-resolution and high-efficiency diffractive optics have largely been unavailable for hard X-rays where many scientific, technological and biomedical applications exist. This is owing to the long-standing challenge of fabricating ultra-high aspect ratio high-resolution dense nanostructures. Here we report significant progress in ultra-high aspect ratio nanofabrication of high-resolution, dense silicon nanostructures using vertical directionality controlled metal-assisted chemical etching. The resulting structures have very smooth sidewalls and can be used to pattern arbitrary features, not limited to linear or circular. We focus on the application of X-ray zone plate fabrication for high-efficiency, high-resolution diffractive optics, and demonstrate the process with linear, circular, and spiral zone plates. X-ray measurements demonstrate high efficiency in the critical outer layers. This method has broad applications including patterning for thermoelectric materials, battery anodes and sensors among others.

  16. Uniting Electron Crystallography and Powder Diffraction

    CERN Document Server

    Shankland, Kenneth; Meshi, Louisa; Avilov, Anatoly; David, William

    2012-01-01

    The polycrystalline and nanocrystalline states play an increasingly important role in exploiting the properties of materials, encompassing applications as diverse as pharmaceuticals, catalysts, solar cells and energy storage. A knowledge of the three-dimensional atomic and molecular structure of materials is essential for understanding and controlling their properties, yet traditional single-crystal X-ray diffraction methods lose their power when only polycrystalline and nanocrystalline samples are available. It is here that powder diffraction and single-crystal electron diffraction techniques take over, substantially extending the range of applicability of the crystallographic principles of structure determination.  This volume, a collection of teaching contributions presented at the Crystallographic Course in Erice in 2011, clearly describes the fundamentals and the state-of-the-art of powder diffraction and electron diffraction methods in materials characterisation, encompassing a diverse range of discipl...

  17. High resolution Transmission Electron Microscopy characterization of a milled oxide dispersion strengthened steel powder

    Energy Technology Data Exchange (ETDEWEB)

    Loyer-Prost, M., E-mail: marie.loyer-prost@cea.fr [DEN-Service de Recherches de Métallurgie Physique, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France); Merot, J.-S. [Laboratoire d’Etudes des Microstructures – UMR 104, CNRS/ONERA, BP72-29, Avenue de la Division Leclerc, 92 322, Châtillon (France); Ribis, J. [DEN-Service de Recherches de Métallurgie Appliquée, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France); Le Bouar, Y. [Laboratoire d’Etudes des Microstructures – UMR 104, CNRS/ONERA, BP72-29, Avenue de la Division Leclerc, 92 322, Châtillon (France); Chaffron, L. [DEN-Service de Recherches de Métallurgie Appliquée, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France); Legendre, F. [DEN-Service de la Corrosion et du Comportement des Matériaux dans leur Environnement, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France)

    2016-10-15

    Oxide Dispersion Strengthened (ODS) steels are promising materials for generation IV fuel claddings as their dense nano-oxide dispersion provides good creep and irradiation resistance. Even if they have been studied for years, the formation mechanism of these nano-oxides is still unclear. Here we report for the first time a High Resolution Transmission Electron Microscopy and Energy Filtered Transmission Electron Microscopy characterization of an ODS milled powder. It provides clear evidence of the presence of small crystalline nanoclusters (NCs) enriched in titanium directly after milling. Small NCs (<5 nm) have a crystalline structure and seem partly coherent with the matrix. They have an interplanar spacing close to the (011) {sub bcc} iron structure. They coexist with larger crystalline spherical precipitates of 15–20 nm in size. Their crystalline structure may be metastable as they are not consistent with any Y-Ti-O or Ti-O structure. Such detailed observations in the as-milled grain powder confirm a mechanism of Y, Ti, O dissolution in the ferritic matrix followed by a NC precipitation during the mechanical alloying process of ODS materials. - Highlights: • We observed an ODS ball-milled powder by high resolution transmission microscopy. • The ODS ball-milled powder exhibits a lamellar microstructure. • Small crystalline nanoclusters were detected in the milled ODS powder. • The nanoclusters in the ODS milled powder are enriched in titanium. • Larger NCs of 15–20 nm in size are, at least, partly coherent with the matrix.

  18. High resolution x-ray and gamma ray imaging using diffraction lenses with mechanically bent crystals

    Science.gov (United States)

    Smither, Robert K [Hinsdale, IL

    2008-12-23

    A method for high spatial resolution imaging of a plurality of sources of x-ray and gamma-ray radiation is provided. High quality mechanically bent diffracting crystals of 0.1 mm radial width are used for focusing the radiation and directing the radiation to an array of detectors which is used for analyzing their addition to collect data as to the location of the source of radiation. A computer is used for converting the data to an image. The invention also provides for the use of a multi-component high resolution detector array and for narrow source and detector apertures.

  19. A curved image-plate detector system for high-resolution synchrotron X-ray diffraction.

    Science.gov (United States)

    Sarin, P; Haggerty, R P; Yoon, W; Knapp, M; Berghaeuser, A; Zschack, P; Karapetrova, E; Yang, N; Kriven, W M

    2009-03-01

    The developed curved image plate (CIP) is a one-dimensional detector which simultaneously records high-resolution X-ray diffraction (XRD) patterns over a 38.7 degrees 2theta range. In addition, an on-site reader enables rapid extraction, transfer and storage of X-ray intensity information in response is not compromised in the unsaturated regions of the image plate, regardless of saturation in another region. The speed of XRD data acquisition together with excellent resolution afforded by the CIP detector is unique and opens up wide possibilities in materials research accessible through X-ray diffraction. This article presents details of the basic features, operation and performance of the CIP detector along with some examples of applications, including high-temperature XRD.

  20. Neutron Powder Diffraction and Constrained Refinement

    DEFF Research Database (Denmark)

    Pawley, G. S.; Mackenzie, Gordon A.; Dietrich, O. W.

    1977-01-01

    The first use of a new program, EDINP, is reported. This program allows the constrained refinement of molecules in a crystal structure with neutron diffraction powder data. The structures of p-C6F4Br2 and p-C6F4I2 are determined by packing considerations and then refined with EDINP. Refinement...

  1. Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.

    Science.gov (United States)

    Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa

    2009-05-11

    High resolution synchrotron X-ray fiber diffraction data recorded from crab tendon chitin have been used to describe the crystal structure of alpha-chitin. Crystal structures at 100 and 300 K have been solved using restrained crystallographic refinement against diffraction intensities measured from the fiber diffraction patterns. The unit cell contains two polymer chains in a 2(1) helix conformation and in the antiparallel orientation. The best agreement between predicated and observed X-ray diffraction intensities is obtained for a model that includes two distinctive conformations of C6-O6 hydroxymethl group. Those conformations are different from what is proposed in the generally accepted alpha-chitin crystal structure (J. Mol. Biol. 1978, 120, 167-181). Based on refined positions of the O6 atoms, a network of hydrogen bonds involving O6 is proposed. This network of hydrogen bonds can explain the main features of the polarized FTIR spectra of alpha-chitin and sheds some light on the origin of splitting of the amide I band observed on alpha-chitin IR spectra.

  2. Solving Crystal Structures from Powder Diffraction Data

    DEFF Research Database (Denmark)

    Christensen, A. Nørlund; Lehmann, M. S.; Nielsen, Mogens

    1985-01-01

    High resolution powder data from both neutron and X-ray (synchrotron) sources have been used to estimate the possibility of direct structure determination from powder data. Two known structures were resolved by direct methods with neutron and X-ray data. With synchrotron X-ray data, the measured...... range of data was insufficient for a structure analysis, but the R-factor calculations showed the intensities extracted from the profile data to be of acceptable quality. The results were used to estimate the largest structure that might be solved using routine techniques. It was found that the limit...... would be near twenty atoms in the asymmetric part of a centro-symmetric structure....

  3. Coherent X-ray beam metrology using 2D high-resolution Fresnel-diffraction analysis.

    Science.gov (United States)

    Ruiz-Lopez, M; Faenov, A; Pikuz, T; Ozaki, N; Mitrofanov, A; Albertazzi, B; Hartley, N; Matsuoka, T; Ochante, Y; Tange, Y; Yabuuchi, T; Habara, T; Tanaka, K A; Inubushi, Y; Yabashi, M; Nishikino, M; Kawachi, T; Pikuz, S; Ishikawa, T; Kodama, R; Bleiner, D

    2017-01-01

    Direct metrology of coherent short-wavelength beamlines is important for obtaining operational beam characteristics at the experimental site. However, since beam-time limitation imposes fast metrology procedures, a multi-parametric metrology from as low as a single shot is desirable. Here a two-dimensional (2D) procedure based on high-resolution Fresnel diffraction analysis is discussed and applied, which allowed an efficient and detailed beamline characterization at the SACLA XFEL. So far, the potential of Fresnel diffraction for beamline metrology has not been fully exploited because its high-frequency fringes could be only partly resolved with ordinary pixel-limited detectors. Using the high-spatial-frequency imaging capability of an irradiated LiF crystal, 2D information of the coherence degree, beam divergence and beam quality factor M2 were retrieved from simple diffraction patterns. The developed beam metrology was validated with a laboratory reference laser, and then successfully applied at a beamline facility, in agreement with the source specifications.

  4. High-resolution X-ray diffraction with no sample preparation.

    Science.gov (United States)

    Hansford, G M; Turner, S M R; Degryse, P; Shortland, A J

    2017-07-01

    It is shown that energy-dispersive X-ray diffraction (EDXRD) implemented in a back-reflection geometry is extremely insensitive to sample morphology and positioning even in a high-resolution configuration. This technique allows high-quality X-ray diffraction analysis of samples that have not been prepared and is therefore completely non-destructive. The experimental technique was implemented on beamline B18 at the Diamond Light Source synchrotron in Oxfordshire, UK. The majority of the experiments in this study were performed with pre-characterized geological materials in order to elucidate the characteristics of this novel technique and to develop the analysis methods. Results are presented that demonstrate phase identification, the derivation of precise unit-cell parameters and extraction of microstructural information on unprepared rock samples and other sample types. A particular highlight was the identification of a specific polytype of a muscovite in an unprepared mica schist sample, avoiding the time-consuming and difficult preparation steps normally required to make this type of identification. The technique was also demonstrated in application to a small number of fossil and archaeological samples. Back-reflection EDXRD implemented in a high-resolution configuration shows great potential in the crystallographic analysis of cultural heritage artefacts for the purposes of scientific research such as provenancing, as well as contributing to the formulation of conservation strategies. Possibilities for moving the technique from the synchrotron into museums are discussed. The avoidance of the need to extract samples from high-value and rare objects is a highly significant advantage, applicable also in other potential research areas such as palaeontology, and the study of meteorites and planetary materials brought to Earth by sample-return missions.

  5. High-Resolution, Quantitative, and Three-Dimensional Coherent Diffractive Imaging with a Tabletop EUV Source

    Science.gov (United States)

    Shanblatt, Elisabeth Rose

    Imaging is a critical tool used across a broad range of applications in science, technology, medicine, and manufacturing. Microscopy, the type of imaging which allows us to access the elusive yet rich world of what is smaller than we can naturally see--makes it possible to observe and design the nano-world of biological, material, and nanofabricated systems. In this thesis, I describe the development of a new type of microscopy that combines two powerful tools: coherent extreme ultraviolet (EUV) light sources produced by high harmonic generation, and ptychographic coherent diffractive imaging. This microscope produces high-resolution, chemically-specific, phase- and amplitude-contrast images with large fields of view on the order of hundreds of microns, while preserving a high spatial resolution on the scale of tens of nanometers. Recently, we extended this new tabletop microscopy technique to image reflective samples, periodic samples, and to image dynamic nano-scale elastic and thermal processes. I will discuss these advances and in particular demonstrate two new capabilities: first, a new imaging technique with high compositionally- and morphologically-sensitive quantitative information, capable of imaging reactions and diffusion at a buried interface. This capability will open up a new, exquisitely sensitive layer-by-layer imaging that has many applications in nanoscience and nanotechnology, including surface and materials science and metrology. Secondly, I will demonstrate imaging of a thick sample in three dimensions. By accounting for diffraction within a thick sample, it is possible to obtain high-resolution three-dimensional images of biological and meta-material samples non-invasively, and without the use of staining or labeling.

  6. Ampicillin Trihydrate from Synchrotron Powder Diffraction Data

    Energy Technology Data Exchange (ETDEWEB)

    Burley,J.; van de Streek, J.; Stephens, P.

    2006-01-01

    The crystal structure of ampicillin trihydrate {l_brace}systematic name: 6-[D(-)-{alpha}-aminophenylacetamido]penicillanic acid trihydrate{r_brace}, C{sub 16}H{sub 19}N{sub 3}O{sub 4}S{center_dot}3H{sub 2}O, a broad-spectrum {beta}-lactam antibiotic of the aminopenicillin type, has been determined from synchrotron X-ray powder diffraction data. The three water molecules form an infinite hydrogen-bonded chain through the crystal structure, with hydrogen bonds to the NH{sub 3}{sup +}, COO{sup -}, C{double_bond}O and NH groups of the ampicillin molecules.

  7. Metrology of Epitaxial Thin Films and Periodic Nanostructures using High Resolution X-Ray Diffraction Techniques

    Science.gov (United States)

    Medikonda, Manasa

    The continued scaling of device size to achieve higher performance and/or lower power operation at lower cost is driving research and development into new, 3D transistor structures such as the FinFET. This research and development effort is highlighting the need for new, advanced measurement capability that is highly accurate, reliable, rapid, and nondestructive. Periodic arrays of fin structures enable process monitoring at each level of fabrication and the maintenance of overall device yield. High resolution x-ray diffraction (HR XRD) has been shown to provide unique capability of characterizing blanket thin films and structural parameters of periodic arrays of fins fabricated in single crystal materials. Application of HR XRD techniques to characterize fin structures with critical dimensions of 1x-2x nm has been very limited. The main objective of my research is to develop and apply HR XRD techniques that analyze critical parameters such as the lithographic pitch, pitch walking, sidewall slope, and fin top width in arrays of advanced fin structures. This research also investigates the stress state of initially pseudomorphic epilayers at the top of the fin, and identification of defects. The results for non-patterned epitaxial fully strained SiGe and GeSn alloys are presented and the methods of detecting periodicity, strain state and shape of arrays of lithographically patterned silicon and silicon-germanium fins are demonstrated using synchrotron source and laboratory x-ray diffractometers.

  8. Carbonado revisited: Insights from neutron diffraction, high resolution orientation mapping and numerical simulations

    Science.gov (United States)

    Piazolo, Sandra; Kaminsky, Felix V.; Trimby, Patrick; Evans, Lynn; Luzin, V.

    2016-11-01

    One of the most controversial diamond types is carbonado, as its origin and geological history are still under debate. Here, we investigate selected carbonado samples using neutron diffraction and high resolution orientation mapping in combination with numerical simulations. Neutron diffraction analyses show that fine grained carbonado samples exhibit a distinct lack of crystallographic preferred orientation. Quantitative crystallographic orientation analyses performed on transmission electron microscope (TEM) sections reveal that the 2-10 μm grains exhibit locally significant internal deformation. Such features are consistent with crystal plastic deformation of a grain aggregate that initially formed by rapid nucleation, characterized by a high number of nucleation sites and no crystallographic preferred orientation. Crystal plastic deformation resulted in high stress heterogeneities close to grain boundaries, even at low bulk strains, inducing a high degree of lattice distortion without significant grain size reduction and the development of a crystallographic preferred orientation. Observed differences in the character of the grain boundary network and internal deformation structures can be explained by significant post-deformation annealing occurring to variable degrees in the carbonado samples. Differences in intensity of crystal bending and subgrain boundary sharpness can be explained by dislocation annihilation and rearrangement, respectively. During annealing grain energy is reduced resulting in distinct changes to the grain boundary geometry. Grain scale numerical modelling shows that anisotropic grain growth, where grain boundary energy is determined by the orientation of a boundary segment relative to the crystallographic orientation of adjacent grains results in straight boundary segments with abrupt changes in orientation even if the boundary is occurring between two triple junctions forming a ;zigzag; pattern. In addition, in diamond anisotropic

  9. Acemetacin cocrystal structures by powder X-ray diffraction

    Directory of Open Access Journals (Sweden)

    Geetha Bolla

    2017-05-01

    Full Text Available Cocrystals of acemetacin drug (ACM with nicotinamide (NAM, p-aminobenzoic acid (PABA, valerolactam (VLM and 2-pyridone (2HP were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM–NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form. The carboxylic acid group of ACM forms theacid–amide dimer three-point synthon R32(9R22(8R32(9 with three different syn amides (VLM, 2HP and caprolactam. The conformations of the ACM molecule observed in the crystal structures differ mainly in the mutual orientation of chlorobenzene fragment and the neighboring methyl group, being anti (type I or syn (type II. ACM hydrate, ACM—NAM, ACM–NAM-hydrate and the piperazine salt of ACM exhibit the type I conformation, whereas ACM polymorphs and other cocrystals adopt the ACM type II conformation. Hydrogen-bond interactions in all the crystal structures were quantified by calculating their molecular electrostatic potential (MEP surfaces. Hirshfeld surface analysis of the cocrystal surfaces shows that about 50% of the contribution is due to a combination of strong and weak O...H, N...H, Cl...H and C...H interactions. The physicochemical properties of these cocrystals are under study.

  10. Powder diffraction studies using anomalous dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Cox, D.E. (Brookhaven National Lab., Upton, NY (United States)); Wilkinson, A.P. (California Univ., Santa Barbara, CA (United States). Dept. of Materials)

    1993-01-01

    With the increasing availability and accessibility of high resolution powder diffractometers at many synchrotron radiation sources throughout the world, there is rapidly-growing interest in the exploitation of anomalous dispersion techniques for structural studies of polycrystalline materials. In conjunction with the Rietveld profile method for structure refinement, such studies are especially useful for the determination of the site distributions of two or more atoms which are near neighbors in the periodic table, or atoms which are distributed among partially occupied sites. Additionally, it is possible to (1) determine the mean-square displacements associated with different kinds of atoms distributed over a single set of sites, (2) distinguish between different oxidation states and coordination geometries of a particular atom in a compound and (3) to determine f' for a wide range of atomic species as a function of energy in the vicinity of an absorption edge. Experimental methods for making anomalous dispersion measurements are described in some detail, including data collection strategies, data analysis and correlation problems, possible systematic errors, and the accuracy of the results. Recent work in the field is reviewed, including cation site-distribution studies (e.g. doped high [Tc] superconductors, ternary alloys, FeCo[sub 2](PO[sub 4])[sub 3], FeNi[sub 2]BO[sub 5]), oxidation-state contrast (e.g. YBa[sub 2]Cu[sub 3]O[sub 6+x], Eu[sub 3]O[sub 4], GaCl[sub 2], Fe[sub 2]PO[sub 5]), and the effect of coordination geometry (e.g. Y[sub 3]Ga[sub 5]O[sub l2]).

  11. Powder diffraction studies using anomalous dispersion

    Energy Technology Data Exchange (ETDEWEB)

    Cox, D.E. [Brookhaven National Lab., Upton, NY (United States); Wilkinson, A.P. [California Univ., Santa Barbara, CA (United States). Dept. of Materials

    1993-05-01

    With the increasing availability and accessibility of high resolution powder diffractometers at many synchrotron radiation sources throughout the world, there is rapidly-growing interest in the exploitation of anomalous dispersion techniques for structural studies of polycrystalline materials. In conjunction with the Rietveld profile method for structure refinement, such studies are especially useful for the determination of the site distributions of two or more atoms which are near neighbors in the periodic table, or atoms which are distributed among partially occupied sites. Additionally, it is possible to (1) determine the mean-square displacements associated with different kinds of atoms distributed over a single set of sites, (2) distinguish between different oxidation states and coordination geometries of a particular atom in a compound and (3) to determine f` for a wide range of atomic species as a function of energy in the vicinity of an absorption edge. Experimental methods for making anomalous dispersion measurements are described in some detail, including data collection strategies, data analysis and correlation problems, possible systematic errors, and the accuracy of the results. Recent work in the field is reviewed, including cation site-distribution studies (e.g. doped high {Tc} superconductors, ternary alloys, FeCo{sub 2}(PO{sub 4}){sub 3}, FeNi{sub 2}BO{sub 5}), oxidation-state contrast (e.g. YBa{sub 2}Cu{sub 3}O{sub 6+x}, Eu{sub 3}O{sub 4}, GaCl{sub 2}, Fe{sub 2}PO{sub 5}), and the effect of coordination geometry (e.g. Y{sub 3}Ga{sub 5}O{sub l2}).

  12. Development and directions of powder diffraction on proteins

    Energy Technology Data Exchange (ETDEWEB)

    Von Dreele, R.B.; Besnard, C.; Basso, S.; Camus, F.; Pattison, P.; Schiltz, M.; Wright, J.P.; Margiolaki, R.; Fitch, A.N.; Fox, G.C.; Prugoveeki, S.; Beckers, D.; Helliwell, J.R.; Helliwell, M.; Jones, R.H.; Roberts, M.A.; Miura, K.; Kahn, R.; Giacovazzo, C.; Altomare, A.; Caliandro, R.; Camalli, M.; Cuocci, C.; Moliterni, A.G.G.; Rizzi, R.; Hinrichsen, B.; Kern, A.; Coelho, A.A.; Degen, T.; Kokkinidis, M.; Fadouloglou, V.; Gazi, A.; Panopoulos, N.; Pinotsis, N.; Wilmanns, M.; Norrman, M.; Schluckebier, G.; Prugoveeki, B.; Dilovic, J.; Matkovic-Calogovic, D.; Bill, David; Markvardsen, A.; Grosse-Kunstleve, R.; Rius, J.; Glykos Nicholas, M.; Murshudov, G.N

    2007-07-01

    X-ray diffraction is one of the most important method for obtaining information about the structure of proteins and thereby for gaining insight into fundamental biological and biochemical mechanisms. This seminar was dedicated to X-ray powder diffraction and was organized around 6 sessions: 1) what can powder diffraction do for proteins?, 2) adapting experimentally to proteins, 3) interpreting powder data, 4) the world of protein crystallography, 5) advancing methods for powder data analysis, and 6) transferable methods from single crystals. This document gathers the abstracts of the 23 papers presented. (A.C.)

  13. Geophysical diffraction tomography and waveform inversion: Applications to high resolution seismic data

    Science.gov (United States)

    Gao, F.; Shen, P.; Symes, W. W.; Zelt, C. A.; Levander, A.

    2001-12-01

    We apply two different techniques to analyze high resolution seismic data from surface and borehole measurements made at a groundwater contamination site at Hill Air Force Base, Ogden, Utah. Two vertical seismic profiles and surface data were recorded simultaneously in and between two 15m deep boreholes separated by 21m. The seismic source was a 223 rifle fired on the surface between the two boreholes, generating signals with energy up to ~300Hz. The size of the target area is roughly the order of a few mean wavelengths in the dataset. The relatively large ratio of mean wavelength ( ~5m) to the scale of structural detail in this high-resolution experiment (projecting misfits in the data space into velocity corrections in the model space. In theory, multiple-frequencies and non-uniform data sampling can be handled easily. In the second technique, full waveform inversion, the inverse problem is posed as nonlinear data fitting where the unknown parameters are solved by minimizing the misfit between the predicted data and the observed data. A gradient-type approach is applied to solve these problems in which the Jacobian and its adjoint are calculated for given model and data vectors. We present an explicit finite difference time stepping scheme to compute the forward model and its adjoint. Waveform data fitting driven by finite difference simulations can be based on different physical modeling assumptions, from acoustic to viscoelastic propagation. Our finite difference class defines an operator in the sense of the Hilbert Class Library (HCL), a C++ software package for optimization (Cockenback, and Symes, 1996). A wide range of gradient type inversion algorithms using HCL as a platform can be tested.

  14. Intensive structural investigation of R{sub 2}Fe{sub 17-x}M{sub x} intermetallic compounds using high resolution powder neutron diffractometer

    Energy Technology Data Exchange (ETDEWEB)

    Mujamilah; Ridwan [Materials Science Research Center, National Atomic Energy Agency of Indonesia, Jakarta (Indonesia)

    1998-10-01

    The crystallographic and magnetic structure of R{sub 2}Fe{sub 17-x}M{sub x} intermetallic compounds system were refined by Rietveld analyses of the high resolution neutron powder diffraction data. The analyses results show that the substituent atoms were not distributed randomly over the Fe sites, but preferentially occupied some Fe sites. More further, it was also found that the substituent atoms which atomic radius smaller than Fe tend to avoid the 6c site at low concentration while the larger substituent atom tend to replace the Fe atom at this 6c site corresponding to their concentration. From these crystallographic data, it was suggested that the change of magnetic ordering temperature Tc, is not mainly determined by the change of short bond distance between this `dumb-bell` atoms, but it was also influenced by the nearest coordinated atoms to this site. (author)

  15. Pinhole diffraction holography for fabrication of high-resolution Fresnel zone plates.

    Science.gov (United States)

    Sarkar, Sankha S; Solak, Harun H; David, Christian; van der Veen, J Friso

    2014-01-27

    Fresnel zone plates (FZPs) play an essential role in high spatial resolution x-ray imaging and analysis of materials in many fields. These diffractive lenses are commonly made by serial writing techniques such as electron beam or focused ion beam lithography. Here we show that pinhole diffraction holography has potential to generate FZP patterns that are free from aberrations and imperfections that may be present in alternative fabrication techniques. In this presented method, FZPs are fabricated by recording interference pattern of a spherical wave generated by diffraction through a pinhole, illuminated with coherent plane wave at extreme ultraviolet (EUV) wavelength. Fundamental and practical issues involved in formation and recording of the interference pattern are considered. It is found that resolution of the produced FZP is directly related to the diameter of the pinhole used and the pinhole size cannot be made arbitrarily small as the transmission of EUV or x-ray light through small pinholes diminishes due to poor refractive index contrast found between materials in these spectral ranges. We also find that the practical restrictions on exposure time due to the light intensity available from current sources directly imposes a limit on the number of zones that can be printed with this method. Therefore a trade-off between the resolution and the FZP diameter exists. Overall, we find that this method can be used to fabricate aberration free FZPs down to a resolution of about 10 nm.

  16. Calculated x-ray powder diffraction patterns of plutonium

    Energy Technology Data Exchange (ETDEWEB)

    Roof, R.B.

    1977-10-01

    The X-ray powder diffraction patterns of the six phases of plutonium were calculated for Cu K..cap alpha../sub 1/ (lambda = 1.540598 A.) The results listed are 2 theta, sin/sup 2/ theta, d values, integrated intensities, and diffraction indices hkl.

  17. Development of an ultra-high resolution diffraction grating forsoft x-rays

    Energy Technology Data Exchange (ETDEWEB)

    Voronov, Dmitriy L.; Cambie, Rossana; Feshchenko, Ruslan M.; Gullikson, Eric M.; Padmore, Howard A.; Vinogradov, Alexander V.; Yashchuk, Valeriy V.

    2007-08-21

    Resonant Inelastic X-ray Scattering (RIXS) is the one of themost powerful methods for investigation of the electronic structure ofmaterials, specifically of excitations in correlated electron systems.However the potential of the RIXS technique has not been fully exploitedbecause conventional grating spectrometers have not been capable ofachieving the extreme resolving powers that RIXS can utilize. State ofthe art spectrometers in the soft x-ray energy range achieve ~;0.25 eVresolution, compared to the energy scales of soft excitations andsuperconducting gap openings down to a few meV. Development ofdiffraction gratings with super high resolving power is necessary tosolve this problem. In this paper we study the possibilities offabrication of gratings of resolving power of up to 106 for the 0.5 1.5KeV energy range. This energy range corresponds to all or most of theuseful dipole transitions for elements of interest in most correlatedelectronic systems, i.e., oxygen K-edge of relevance to all oxides, thetransition metal L2,3 edges, and the M4,5 edges of the rare earths.Various approaches based on different kinds of diffraction gratings suchas deep-etched multilayer gratings, and multilayer coated echelettes arediscussed. We also present simulations of diffraction efficiency for suchgratings, and investigate the necessary fabricationtolerances.

  18. High resolution electron diffraction analysis of structural changes associated with the photocycle of bacteriorhodopsin

    Energy Technology Data Exchange (ETDEWEB)

    Han, B. -G. [Lawrence Berkeley Lab., CA (United States). Life Sciences Div.; Univ. of California, Berkeley, CA (United States). Dept. of Biophysics

    1994-04-01

    Changes in protein structure that occur during the formation of the M photointermediate of bacteriorhodopsin can be directly visualized by electron diffraction techniques. Samples containing a high percentage of the M intermediate were trapped by rapidly cooling the crystals with liquid nitrogen following illumination with filtered green light at 240K and 260K respectively. Difference Fourier projection maps for M minus bR at two temperatures and for M{sub 260K} minus M{sub 240K} are presented. While it is likely that a unique M-substate is trapped when illuminated at 260K produces a mixture of the M{sub 240K} substate and a second M-substate which may have a protein structure similar to the N-intermediate. The diffraction data clearly show that statistically significant structural changes occur upon formation of the M{sub 240K} specimen and then further upon formation of the second substate which is present in the mixture that is produced at 260K. A preliminary 3-D difference map, based on data collected with samples tilted up to 30{degree}, has been constructed at a resolution of 3.5{angstrom} parallel to the membrane plane and a resolution of 8.5{angstrom} perpendicular to the membrane. The data have been analyzed by a number of different criteria to ensure that the differences seen reflect real conformation changes at a level which is significantly above the noise in the map. Furthermore, a comparison of the positions of specific backbone and side-chain groups relative to significant difference peaks suggests that it will be necessary to further refine the atomic resolution model before it will be possible to interpret the changes in chemical structure that occur in the protein at this stage of the photocycle.

  19. Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.

    Science.gov (United States)

    Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M; Hadermann, Joke

    2015-04-01

    The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy).

  20. A simple method for indexing powder diffraction patterns of cubic ...

    African Journals Online (AJOL)

    A simple method for indexing powder diffraction patterns of cubic materials:(1) using the θ-values of reference. ... Tanzania Journal of Science ... Alternatively, you can download the PDF file directly to your computer, from where it can be ...

  1. High resolution diffraction studies with synchrotron radiation on the structure of Li{sub 0.95}Mn{sub 2.05}O{sub 4} spinel

    Energy Technology Data Exchange (ETDEWEB)

    Nowicki, W. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland)]. E-mail: waldek@amu.edu.pl; Darul, J. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland); Piszora, P. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland); Baehtz, C. [Institute of Materials Science, Darmstadt University of Technology, Petersenstr. 32, D-64287 Darmstadt (Germany); Wolska, E. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland)

    2005-09-29

    Investigations of the structure transformations of lithium deficient Li{sub 0.95}Mn{sub 2.05}O{sub 4}, in the temperature range of 10-1173 K, have been undertaken with X-ray powder diffraction, using synchrotron radiation, at the HASYLAB high-resolution diffractometer (beamline B2). Single phase spinel-like oxide was obtained by a solid state reaction between {alpha}-Mn{sub 2}O{sub 3} and Li{sub 2}CO{sub 3} at 1073 K, followed by rapid quenching of the sample in the solid CO{sub 2}. At the room temperature, the lithium deficient sample (with x = 0.95 in Li {sub x}Mn{sub 3-x}O{sub 4}) shows a tetragonally distorted spinel lattice, with c/a = 0.98. No phase transition has been observed when temperature decreased and the sample remained tetragonal in the range 300-10 K. A reversible phase transition appears, however, during very mild heating of Li{sub 0.95}Mn{sub 2.05}O{sub 4} above the room temperature. The tetragonal spinel structure (F4{sub 1}/ddm) undergoes a transition into cubic form (Fd3m) at 393 K. A thermal treatment above 573 K causes a partial decomposition of the sample, resulting in a formation of a nearly stoichiometric LiMn{sub 2}O{sub 4}, with the admixture of manganese oxides.

  2. Comparison between powder and slices diffraction methods in teeth samples

    Energy Technology Data Exchange (ETDEWEB)

    Colaco, Marcos V.; Barroso, Regina C. [Universidade do Estado do Rio de Janeiro (IF/UERJ), RJ (Brazil). Inst. de Fisica. Dept. de Fisica Aplicada; Porto, Isabel M. [Universidade Estadual de Campinas (FOP/UNICAMP), Piracicaba, SP (Brazil). Fac. de Odontologia. Dept. de Morfologia; Gerlach, Raquel F. [Universidade de Sao Paulo (FORP/USP), Rieirao Preto, SP (Brazil). Fac. de Odontologia. Dept. de Morfologia, Estomatologia e Fisiologia; Costa, Fanny N. [Coordenacao dos Programas de Pos-Graduacao de Engenharia (LIN/COPPE/UFRJ), RJ (Brazil). Lab. de Instrumentacao Nuclear

    2011-07-01

    Propose different methods to obtain crystallographic information about biological materials are important since powder method is a nondestructive method. Slices are an approximation of what would be an in vivo analysis. Effects of samples preparation cause differences in scattering profiles compared with powder method. The main inorganic component of bones and teeth is a calcium phosphate mineral whose structure closely resembles hydroxyapatite (HAp). The hexagonal symmetry, however, seems to work well with the powder diffraction data, and the crystal structure of HAp is usually described in space group P63/m. Were analyzed ten third molar teeth. Five teeth were separated in enamel, detin and circumpulpal detin powder and five in slices. All the scattering profile measurements were carried out at the X-ray diffraction beamline (XRD1) at the National Synchrotron Light Laboratory - LNLS, Campinas, Brazil. The LNLS synchrotron light source is composed of a 1.37 GeV electron storage ring, delivering approximately 4x10{sup -1}0 photons/s at 8 keV. A double-crystal Si(111) pre-monochromator, upstream of the beamline, was used to select a small energy bandwidth at 11 keV . Scattering signatures were obtained at intervals of 0.04 deg for angles from 24 deg to 52 deg. The human enamel experimental crystallite size obtained in this work were 30(3)nm (112 reflection) and 30(3)nm (300 reflection). These values were obtained from measurements of powdered enamel. When comparing the slice obtained 58(8)nm (112 reflection) and 37(7)nm (300 reflection) enamel diffraction patterns with those generated by the powder specimens, a few differences emerge. This work shows differences between powder and slices methods, separating characteristics of sample of the method's influence. (author)

  3. In Situ High Resolution Synchrotron X-Ray Powder Diffraction Studies of Lithium Batteries

    DEFF Research Database (Denmark)

    Amri, Mahrez; Fitch, Andy; Norby, Poul

    2015-01-01

    Lithium ion battery technology is the heart in operating modern technology devices such as mobile phones and laptops. However, as our society is moving towards the utilization of sustainable energy sources, batteries can be foreseen to become an even more important part of the energy infrastructure...... the obtainable power density and battery life time. A challenging and important task is to obtain in situ information about the formation and evolution of interfaces in an operating battery system. This work addresses these challenges and for this purpose we have developed a special microcapillary battery cell...

  4. PMT electronics for high-resolution powder diffraction of CRISTAL and MARS beamlines

    Science.gov (United States)

    Bordessoule, M.; Bucaille, T.; Elkaïm, E.; Sitaud, B.

    2013-03-01

    The design and performance characterization of a multi-crystal X-ray scintillation detector are presented. These set-ups are used on the CRISTAL and MARS beam-lines of SOLEIL. Main topics, such as the measurement of the dead-time of the amplifier, the compromise between the energy resolution and the dead-time, are addressed in this article.

  5. A high-resolution neutron powder diffraction study of neodymium doping in barium cerate

    DEFF Research Database (Denmark)

    Knight, K.S.; Bonanos, N.

    1995-01-01

    -model-free fits due to increased line broadening present in this sample. The smaller number of reflections in space group Pmcn favours this space group for x=0.2. The deviation from cubic symmetry has been determined from a calculation of the scalar spontaneous strain, assuming that the dopant-dependent effects...

  6. In situ MEMS testing: correlation of high-resolution X-ray diffraction with mechanical experiments and finite element analysis.

    Science.gov (United States)

    Schifferle, Andreas; Dommann, Alex; Neels, Antonia

    2017-01-01

    New methods are needed in microsystems technology for evaluating microelectromechanical systems (MEMS) because of their reduced size. The assessment and characterization of mechanical and structural relations of MEMS are essential to assure the long-term functioning of devices, and have a significant impact on design and fabrication. Within this study a concept for the investigation of mechanically loaded MEMS materials on an atomic level is introduced, combining high-resolution X-ray diffraction (HRXRD) measurements with finite element analysis (FEA) and mechanical testing. In situ HRXRD measurements were performed on tensile loaded single crystal silicon (SCSi) specimens by means of profile scans and reciprocal space mapping (RSM) on symmetrical (004) and (440) reflections. A comprehensive evaluation of the rather complex XRD patterns and features was enabled by the correlation of measured with simulated, 'theoretical' patterns. Latter were calculated by a specifically developed, simple and fast approach on the basis of continuum mechanical relations. Qualitative and quantitative analysis confirmed the admissibility and accuracy of the presented method. In this context [001] Poisson's ratio was determined providing an error of less than 1.5% with respect to analytical prediction. Consequently, the introduced procedure contributes to further going investigations of weak scattering being related to strain and defects in crystalline structures and therefore supports investigations on materials and devices failure mechanisms.

  7. Strain and crystalline defects in epitaxial GaN layers studied by high-resolution X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Chierchia, Rosa

    2007-07-01

    )6H SiC substrates have been studied by high resolution X-ray diffraction at both symmetrical and asymmetrical reflections. An inhomogeneous Al distribution was found in the film at the substrate interface. The Al fluctuations disappear at a film thickness of 100 nm. In the second part of the Chapter the X-ray reflectivity technique has been utilized for the characterization of AlGaN/GaN superlattices. The fundamental parameters of the superlattices, i.e. period and individual layer thicknesses could be determined for ideally flat surface. (orig.)

  8. Determination of organic crystal structures by X ray powder diffraction

    CERN Document Server

    McBride, L

    2000-01-01

    The crystal structure of Ibuprofen has been solved from synchrotron X-ray powder diffraction data using a genetic algorithm (GA). The performance of the GA is improved by incorporating prior chemical information in the form of hard limits on the values that can be taken by the flexible torsion angles within the molecule. Powder X-ray diffraction data were collected for the anti-convulsant compounds remacemide, remacemide nitrate and remacemide acetate at 130 K on BM 16 at the X-ray European Synchrotron Radiation Facility (ESRF) at Grenoble. High quality crystal structures were obtained using data collected to a resolution of typically 1.5 A. The structure determinations were performed using a simulated annealing (SA) method and constrained Rietveld refinements for the structures converged to chi sup 2 values of 1.64, 1.84 and 1.76 for the free base, nitrate and acetate respectively. The previously unknown crystal structure of the drug famotidine Form B has been solved using X-ray powder diffraction data colle...

  9. New synchrotron powder diffraction facility for long-duration experiments.

    Science.gov (United States)

    Murray, Claire A; Potter, Jonathan; Day, Sarah J; Baker, Annabelle R; Thompson, Stephen P; Kelly, Jon; Morris, Christopher G; Yang, Sihai; Tang, Chiu C

    2017-02-01

    A new synchrotron X-ray powder diffraction instrument has been built and commissioned for long-duration experiments on beamline I11 at Diamond Light Source. The concept is unique, with design features to house multiple experiments running in parallel, in particular with specific stages for sample environments to study slow kinetic systems or processes. The instrument benefits from a high-brightness X-ray beam and a large area detector. Diffraction data from the commissioning work have shown that the objectives and criteria are met. Supported by two case studies, the results from months of measurements have demonstrated the viability of this large-scale instrument, which is the world's first dedicated facility for long-term studies (weeks to years) using synchrotron radiation.

  10. Cross-correlation based high resolution electron backscatter diffraction and electron channelling contrast imaging for strain mapping and dislocation distributions in InAlN thin films

    OpenAIRE

    Vilalta-Clemente, A.; Naresh-Kumar, G; Nouf-Allehiani, M.; Gamarra, P.; di Forte-Poisson, M. A.; Trager-Cowan, C.; Wilkinson, A.J.

    2017-01-01

    We describe the development of cross-correlation based high resolution electron backscatter diffraction (HR-EBSD) and electron channelling contrast imaging (ECCI), in the scanning electron microscope (SEM), to quantitatively map the strain variation and lattice rotation and determine the density and identify dislocations in nitride semiconductor thin films. These techniques can provide quantitative, rapid, non-destructive analysis of the structural properties of materials with a spatial resol...

  11. X-ray characterization by energy-resolved powder diffraction

    Directory of Open Access Journals (Sweden)

    G. Cheung

    2016-08-01

    Full Text Available A method for single-shot, nondestructive characterization of broadband x-ray beams, based on energy-resolved powder diffraction, is described. Monte-Carlo simulations are used to simulate data for x-ray beams in the keV range with parameters similar to those generated by betatron oscillations in a laser-driven plasma accelerator. The retrieved x-ray spectra are found to be in excellent agreement with those of the input beams for realistic numbers of incident photons. It is demonstrated that the angular divergence of the x rays can be deduced from the deviation of the detected photons from the Debye-Scherrer rings which would be produced by a parallel beam. It is shown that the angular divergence can be measured as a function of the photon energy, yielding the angularly resolved spectrum of the input x-ray beam.

  12. High-Resolution, High-Efficiency, Curved Diffraction Gratings Fabricated by Conformable, Maskless,100-nm Lithography Project

    Data.gov (United States)

    National Aeronautics and Space Administration — In this program, we will develop a novel process for fabricating large-area ultraviolet diffraction gratings on curved surfaces. This process is based on a unique...

  13. X-Ray Powder Diffraction with Guinier - Haegg Focusing Cameras

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Allan

    1970-12-15

    The Guinier - Haegg focusing camera is discussed with reference to its use as an instrument for rapid phase analysis. An actual camera and the alignment procedure employed in its setting up are described. The results obtained with the instrument are compared with those obtained with Debye - Scherrer cameras and powder diffractometers. Exposure times of 15 - 30 minutes with compounds of simple structure are roughly one-sixth of those required for Debye - Scherrer patterns. Coupled with the lower background resulting from the use of a monochromatic X-ray beam, the shorter exposure time gives a ten-fold increase in sensitivity for the detection of minor phases as compared with the Debye - Scherrer camera. Attention is paid to the precautions taken to obtain reliable Bragg angles from Guinier - Haegg film measurements, with particular reference to calibration procedures. The evaluation of unit cell parameters from Guinier - Haegg data is discussed together with the application of tests for the presence of angle-dependent systematic errors. It is concluded that with proper calibration procedures and least squares treatment of the data, accuracies of the order of 0.005% are attainable. A compilation of diffraction data for a number of compounds examined in the Active Central Laboratory at Studsvik is presented to exemplify the scope of this type of powder camera.

  14. A sample holder for in-house X-ray powder diffraction studies of protein powders

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl; Harris, Pernille; Ståhl, Kenny

    2011-01-01

    A sample holder for handling samples of protein for in-house X-ray powder diffraction (XRPD) analysis has been made and tested on lysozyme. The use of an integrated pinhole reduced the background, and good signal-to-noise ratios were obtained from only 7 l of sample, corresponding to approximately...... 2-3 mg of dry protein. The sample holder is further adaptable to X-ray absorption spectroscopy (XAS) measurements. Both XRPD and XAS at the Zn K-edge were tested with hexameric Zn insulin....

  15. Two-dimensional position-sensitive gaseous detectors for high-resolution neutron and X-ray diffraction

    CERN Document Server

    Marmotti, M; Kampmann, R

    2002-01-01

    Two-dimensional position-sensitive gaseous detectors have been developed at the Geesthacht Neutron Facility (GeNF) for high-resolution neutron and X-ray diffractometry. They are multi-wire proportional counters with delay-line readout and sensitive areas of 300 mm x 300 mm or 500 mm x 500 mm. For detecting X-rays, neutrons and hard X-rays the counters are filled with Ar/CO sub 2 , sup 3 He/CF sub 4 and Xe/CO sub 2 , respectively. One neutron detector is used at the ARES diffractometer at GKSS, which is dedicated to the analysis of residual stresses. Further ones are used for analysing textures and residual stresses at the hard-X-ray beamline PETRA-2 at HASYLAB, and one detector is being developed for the neutron reflectometer REFSANS at the research reactor FRM-II in Munich, Germany. (orig.)

  16. Performance calculations of the X-ray powder diffraction beamline at NSLS-II.

    Science.gov (United States)

    Shi, Xianbo; Ghose, Sanjit; Dooryhee, Eric

    2013-03-01

    The X-ray Powder Diffraction (XPD) beamline at the National Synchrotron Light Source II is a multi-purpose high-energy X-ray diffraction beamline with high throughput and high resolution. The beamline uses a sagittally bent double-Laue crystal monochromator to provide X-rays over a large energy range (30-70 keV). In this paper the optical design and the calculated performance of the XPD beamline are presented. The damping wiggler source is simulated by the SRW code and a filter system is designed to optimize the photon flux as well as to reduce the heat load on the first optics. The final beamline performance under two operation modes is simulated using the SHADOW program. For the first time a multi-lamellar model is introduced and implemented in the ray tracing of the bent Laue crystal monochromator. The optimization and the optical properties of the vertical focusing mirror are also discussed. Finally, the instrumental resolution function of the XPD beamline is described in an analytical method.

  17. Bulk Crystal Growth, and High-Resolution X-ray Diffraction Results of LiZnAs Semiconductor Material

    Science.gov (United States)

    Montag, Benjamin W.; Reichenberger, Michael A.; Sunder, Madhana; Ugorowski, Philip B.; Nelson, Kyle A.; Henson, Luke C.; McGregor, Douglas S.

    2017-08-01

    LiZnAs is being explored as a candidate for solid-state neutron detectors. The compact form, solid-state device would have greater efficiency than present day gas-filled 3He and 10BF3 detectors. Devices fabricated from LiZnAs having either natural Li (nominally 7.5% 6Li) or enriched 6Li (usually 95% 6Li) as constituent atoms may provide a material for compact high efficiency neutron detectors. The 6Li( n, t)4He reaction yields a total Q-value of 4.78 MeV, an energy larger than that of the 10B reaction, which can easily be identified above background radiations. LiZnAs material was synthesized by preparing equimolar portions of Li, Zn, and As sealed under vacuum (10-6 Torr) in quartz ampoules lined with boron nitride and subsequently reacted in a compounding furnace (Montag et al. in J Cryst Growth 412:103, 2015). The raw synthesized LiZnAs was purified by a static vacuum sublimation in quartz (Montag et al. in J Cryst Growth 438:99, 2016). Bulk crystalline LiZnAs ingots were grown from the purified material with a high-temperature Bridgman-style growth process described here. One of the largest LiZnAs ingots harvested was 9.6 mm in diameter and 4.2 mm in length. Samples were harvested from the ingot and were characterized for crystallinity using a Bruker AXS Inc. D8 AXS Inc. D2 CRYSO, energy dispersive x-ray diffractometer, and a Bruker AXS Inc. D8 DISCOVER, high-resolution x-ray diffractometer equipped with molybdenum radiation, Gobel mirror, four bounce germanium monochromator and a scintillation detector. The primary beam divergence was determined to be 0.004°, using a single crystal Si standard. The x-ray based characterization revealed that the samples nucleated in the (110) direction and a high-resolution open detector rocking curve recorded on the (220) LiZnAs yielded a full width at half maximum (FWHM) of 0.235°. Sectional pole figures using off-axis reflections of the (211) LiZnAs confirmed in-plane ordering, and also indicated the presence of multiple

  18. Characterizing Grain-Oriented Silicon Steel Sheet Using Automated High-Resolution Laue X-ray Diffraction

    Science.gov (United States)

    Lynch, Peter; Barnett, Matthew; Stevenson, Andrew; Hutchinson, Bevis

    2017-11-01

    Controlling texture in grain-oriented (GO) silicon steel sheet is critical for optimization of its magnetization performance. A new automated laboratory system, based on X-ray Laue diffraction, is introduced as a rapid method for large scale grain orientation mapping and texture measurement in these materials. Wide area grain orientation maps are demonstrated for both macroetched and coated GO steel sheets. The large secondary grains contain uniform lattice rotations, the origins of which are discussed.

  19. High-resolution three-dimensional imaging of red blood cells parasitized by Plasmodium falciparum and in situ hemozoin crystals using optical diffraction tomography

    Science.gov (United States)

    Kim, Kyoohyun; Yoon, HyeOk; Diez-Silva, Monica; Dao, Ming; Dasari, Ramachandra R.; Park, YongKeun

    2014-01-01

    We present high-resolution optical tomographic images of human red blood cells (RBC) parasitized by malaria-inducing Plasmodium falciparum (Pf)-RBCs. Three-dimensional (3-D) refractive index (RI) tomograms are reconstructed by recourse to a diffraction algorithm from multiple two-dimensional holograms with various angles of illumination. These 3-D RI tomograms of Pf-RBCs show cellular and subcellular structures of host RBCs and invaded parasites in fine detail. Full asexual intraerythrocytic stages of parasite maturation (ring to trophozoite to schizont stages) are then systematically investigated using optical diffraction tomography algorithms. These analyses provide quantitative information on the structural and chemical characteristics of individual host Pf-RBCs, parasitophorous vacuole, and cytoplasm. The in situ structural evolution and chemical characteristics of subcellular hemozoin crystals are also elucidated.

  20. High-resolution radial distribution function of pure ion-implanted amorphous silicon measured using tilted-illumination selected-area electron diffraction.

    Science.gov (United States)

    Gorecki, Alexander; Liu, Amelia C Y; Petersen, Timothy C

    2014-02-01

    High-resolution radial distribution functions of as-implanted and thermally relaxed amorphous silicon created by ion implantation were measured using tilted-illumination selected area electron diffraction at room temperature. The diffracted intensities were measured out to a maximum scattering vector 2 sin(θ)/λ of 3.3-3.7 Å-1. The volume-averaged pair-correlation statistics of as-implanted and relaxed ion-implanted amorphous silicon are virtually indistinguishable with coordination numbers of 3.7 ± 0.3 and 3.9 ± 0.3 (for neighbors closer than 3 Å) and average bond angles of 109 ± 0.5° and 110 ± 0.6°, respectively. The atomic rearrangements in ion-implanted amorphous silicon due to a low temperature anneal are subtle.

  1. Applications of X-ray powder diffraction in materials chemistry.

    Science.gov (United States)

    Skakle, Jan

    2005-01-01

    X-ray powder diffraction is a standard technique in materials chemistry, yet it is often still used in the laboratory as a "one-hit" technique, e.g. for fingerprinting and following the progress of reactions. It is important, however, that the wealth of information available from powder data is not overlooked. While it is only possible here to scratch the surface of possibilities, a range of examples from our research is used to emphasize some of the more accessible techniques and to highlight successes as well as potential problems. The first example is the study of solid solution formation in the oxide systems Ba(3-3x)La(2x)V2O8 and Sr(4-x)Ba(x)Mn3O10 and in the silicate-hydroxyapatite bioceramic, Ca10(PO4)6-x(SiO4)x(OH)2-x. Database mining is also explored, using three phases within the pseudobinary phase diagram Li3SbO4-CuO as examples. All three phases presented different challenges: the structure of Li3SbO4 had been previously reported in higher symmetry than was actually the case, Li3Cu2SbO6 was found to be isostructural with Li2TiO3 but the cation ordering had to be rationalized, and Li3CuSbO5 was believed to be triclinic, presenting challenges in indexing the powder pattern. Quantitative phase analysis is briefly discussed, with the emphasis both on success (determination of amorphous phase content in a novel cadmium arsenate phase) and on possible failure (compositional analysis in bone mineral); the reasons for the problems in the latter are also explored. Finally, the use of an area detector system has been shown to be of value in the study of orientational effects (or lack of them) in non- and partially-ordered biomaterials, including p-HEMA, annulus fibrosis of lumbar discs, and keratin in the horn of cow's hooves. Copyright 2005 The Japan Chemical Journal Forum and Wiley Periodicals, Inc

  2. Ultra-high resolution zone-doubled diffractive X-ray optics for the multi-keV regime.

    Science.gov (United States)

    Vila-Comamala, Joan; Gorelick, Sergey; Färm, Elina; Kewish, Cameron M; Diaz, Ana; Barrett, Ray; Guzenko, Vitaliy A; Ritala, Mikko; David, Christian

    2011-01-03

    X-ray microscopy based on Fresnel zone plates is a powerful technique for sub-100 nm resolution imaging of biological and inorganic materials. Here, we report on the modeling, fabrication and characterization of zone-doubled Fresnel zone plates for the multi-keV regime (4-12 keV). We demonstrate unprecedented spatial resolution by resolving 15 nm lines and spaces in scanning transmission X-ray microscopy, and focusing diffraction efficiencies of 7.5% at 6.2 keV photon energy. These developments represent a significant step towards 10 nm spatial resolution for hard X-ray energies of up to 12 keV.

  3. Neutron powder diffraction study on Mg sup 1 sup 1 B sub 2 synthesized by different procedures

    CERN Document Server

    Oikawa, K; Arai, M; Mochiku, T; Takeya, H; Furuyama, M; Kamisawa, S; Kadowaki, K

    2002-01-01

    The crystal structure of a new superconducting material, MgB sub 2 , was studied by high-resolution neutron powder diffraction as a function of temperature from 8K to 305K. Two samples of Mg sup 1 sup 1 B sub 2 were measured; one was synthesized for 2d at 1050degC, and the other one was done for 1d at 1100degC. All of the diffraction data were precisely refined by the Rietveld method, and we confirmed that there was no clear anomaly on the temperature dependence of the lattice constants around T sub c for both samples. The difference in sample synthesis procedures affects the profile shapes of the 001 reflections, whereas the hh0 lines are almost the same.

  4. Identification of cellulose fibres belonging to Spanish cultural heritage using synchrotron high resolution X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Herrera, L.K.; Justo, A.; Duran, A.; Haro, M.C.J. de; Franquelo, M.L.; Perez Rodriguez, J.L. [CSIC-Seville University, Materials Science Institute of Seville, Seville (Spain)

    2010-05-15

    A complete characterisation of fibres used in Spanish artwork is necessary to provide a complete knowledge of these natural fibres and their stage of degradation. Textile samples employed as painting supports on canvas and one sample of unprocessed plant material were chosen for this study. All the samples were investigated by synchrotron radiation X-ray diffraction (SR-XRD). Flax and cotton have the Cellulose I structure. The values of the crystalline index (CI) were calculated for both types of fibres. The structure of Cellulose IV was associated with the unprocessed plant material. The information obtained by SR-XRD was confirmed by laboratory techniques including scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). (orig.)

  5. Identification of cellulose fibres belonging to Spanish cultural heritage using synchrotron high resolution X-ray diffraction

    Science.gov (United States)

    Herrera, L. K.; Justo, A.; Duran, A.; de Haro, M. C. Jimenez; Franquelo, M. L.; Perez Rodríguez, J. L.

    2010-05-01

    A complete characterisation of fibres used in Spanish artwork is necessary to provide a complete knowledge of these natural fibres and their stage of degradation. Textile samples employed as painting supports on canvas and one sample of unprocessed plant material were chosen for this study. All the samples were investigated by synchrotron radiation X-ray diffraction (SR-XRD). Flax and cotton have the Cellulose I structure. The values of the crystalline index (CI) were calculated for both types of fibres. The structure of Cellulose IV was associated with the unprocessed plant material. The information obtained by SR-XRD was confirmed by laboratory techniques including scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR).

  6. Anomalous thermal expansion in rare-earth gallium perovskites: a comprehensive powder diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Senyshyn, A; Trots, D M; Engel, J M; Ehrenberg, H; Fuess, H [Institute for Materials Science, Darmstadt University of Technology, D-64287 Darmstadt (Germany); Vasylechko, L [Lviv Polytechnic National University, 12 Bandera Street, 79013 Lviv (Ukraine); Hansen, T [Institut Max von Laue-Paul Langevin, 38042 Grenoble Cedex 9 (France); Berkowski, M [Institute of Physics, Polish Academy of Sciences, Aleja Lotnikow 32/46, 02-668 Warsaw (Poland)

    2009-04-08

    Crystal structures of rare-earth gallium perovskites LaGaO{sub 3}, PrGaO{sub 3}, NdGaO{sub 3} and Pr{sub 1-x}Nd{sub x}GaO{sub 3} (x = 0.25, 0.50, 0.75) solid solutions were investigated in the temperature range 12-300 K by high-resolution powder diffraction using synchrotron or neutron radiation. The previously reported negative thermal expansion in the b direction of the PrGaO{sub 3} lattice has been found to be persistent in Pr{sub 1-x}Nd{sub x}GaO{sub 3} solid solutions and its magnitude has been revealed as proportional to the amount of praseodymium. Evaluation of the obtained temperature evolution of cell dimensions indicated a weak anomalous behaviour of the b lattice parameter in NdGaO{sub 3}, and its origin is supposed to be the same as in PrGaO{sub 3}, i.e. a coupling of the crystal electric field levels with phonon excitations of about 23-25 meV energy. The performed bond length analysis revealed an anomalous behaviour of both LnO{sub 12} (Ln-rare-earth) and GaO{sub 6} coordination polyhedra, which can be a structural manifestation of anomalous thermal expansion in the considered compounds.

  7. High-resolution X-ray diffraction imaging of non-Bragg diffracting materials using phase retrieval X-ray diffractometry (PRXRD) technique

    Energy Technology Data Exchange (ETDEWEB)

    Nikulin, A.Y.; Darahanau, A.V.; Horney, R.; Ishikawa, T

    2004-06-15

    An X-ray diffraction technique has recently been developed and successfully applied to comprehensively, including both phase and amplitude contrast, map the complex refractive index of non-crystalline materials with submicron spatial resolution. The methodology is based on the measurement of a high angular resolution X-ray Fraunhofer diffraction pattern with further application of the phase-retrieval formalism using a logarithmic dispersion relation. The technique is reviewed from the perspective of its ability to deliver ultra-high, order of several nanometres, spatial resolution and to uniquely determine both the real and imaginary components of the complex refractive index of the material under analysis. Potential niche of practical applications is discussed in terms of the spatial resolution and field of view achievable by the method.

  8. High-resolution X-ray diffraction characterisation of piezoelectric InGaAs / GaAs multiquantum wells and superlattices on (111)B GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Sanz-Hervas, A.; Aguilar, M. [Madrid, Univ. (Spain). Dept. Tecnologia Electronica. E.T.S.I. Telecomunicacion; Lopez, M.; Llorente, C.; Lorenzo, R.; Abril, E. J. [Valladolid, Real de Burgos Univ. (Spain). Dept. Teoria de la Senal u Comunicaciones e Ingegneria Telematica. E.T.S.I. Telecomunicacion; Sacedon, A.; Sanchez, J. L.; Calleja, E.; Munoz, E. [Madrid, Univ. (Spain). Dept. Ingegnieria Electronica. E.T.S.I. Telecomunicacion

    1997-02-01

    In this paper the authors show some examples of strained InGaAs / GaAs multilayers on (111)B GaAs substrates studied by high-resolution X-ray diffractometry. The samples consisted of a multiquantum well or superlattice embedded in the intrinsic region of a p-i-n photodiode. They have analysed piezoelectric (111)B structures with 3, 7, 10, and 40 periods and different indium contents and compared the results with identical structures simultaneously grown on (001) substrates. The interpretation of the diffraction profiles has been carried out with a computer simulation model developed in our labs, which allows the calculation of symmetric and asymmetric reflections regardless of the substrate orientation or miscut angle. The agreement between the experimental scans and the theory was very satisfactory in all the samples, which has enabled us to determine the main structural parameters of the diodes, Asymmetric 224{+-} reflections on (111)B structures have been simulated for the first time. They have also compared the structural parameters obtained by high-resolution X-ray diffractometry with the results deduced from photoluminescence and photocurrent spectroscopies.

  9. The MEM/Rietveld method with nano-applications - accurate charge-density studies of nano-structured materials by synchrotron-radiation powder diffraction.

    Science.gov (United States)

    Takata, Masaki

    2008-01-01

    Structural studies of materials with nano-sized spaces, called nano-structured materials, have been carried out by high-resolution powder diffraction. Our developed analytical method, which is the combination of the maximum-entropy method (MEM) and Rietveld refinement, the so-called MEM/Rietveld method, has been successfully applied to the analysis of synchrotron-radiation (SR) powder diffraction data measured at SPring-8, a third-generation SR light source. In this article, structural studies of nano-porous coordination polymers and endohedral metallofullerenes are presented with the advanced technique of SR powder experiment. The structure of the adsorbed guest molecule in the coordination polymer and encapsulated atoms in the fullerene cage are clearly revealed by the MEM charge density. The methodology of MEM/Rietveld analysis is also presented.

  10. High-resolution electron-energy-loss spectroscopy and photoelectron-diffraction studies of the geometric structure of adsorbates on single-crystal metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Rosenblatt, D.H.

    1982-11-01

    Two techniques which have made important contributions to the understanding of surface phenomena are high resolution electron energy loss spectroscopy (EELS) and photoelectron diffraction (PD). EELS is capable of directly measuring the vibrational modes of clean and adsorbate covered metal surfaces. In this work, the design, construction, and performance of a new EELS spectrometer are described. These results are discussed in terms of possible structures of the O-Cu(001) system. Recommendations for improvements in this EELS spectrometer and guidelines for future spectrometers are given. PD experiments provide accurate quantitative information about the geometry of atoms and molecules adsorbed on metal surfaces. The technique has advantages when used to study disordered overlayers, molecular overlayers, multiple site systems, and adsorbates which are weak electron scatterers. Four experiments were carried out which exploit these advantages.

  11. Powder Handling Device for X-ray Diffraction Analysis with Minimal Sample Preparation Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This project consists in developing a Vibrating Powder Handling System for planetary X-Ray Diffraction instruments. The principle of this novel sample handling...

  12. Synchrotron X-ray powder diffraction studies on the order-disorder phase transition in lithium ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Darul, J. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland)]. E-mail: jola@amu.edu.pl; Nowicki, W. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland); Piszora, P. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland); Baehtz, C. [Institute of Materials Science, Darmstadt University of Technology, Petersenstr. 32, D-64287 Darmstadt (Germany); Wolska, E. [Laboratory of Magnetochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, PL-60780 Poznan (Poland)

    2005-09-29

    Investigations on the manganese substituted lithium ferrites reveal the strong influence of manganese ions on the ordering of Li{sup +} cations in the spinel-type crystal lattice. We present the effect of Mn{sup 3+} substitution in the LiFe{sub 5-x}Mn {sub x}O{sub 8} (0 {<=} x {<=} 1) samples on the order-disorder phase transition and on the thermal expansion of their spinel lattices. Synchrotron X-ray measurements have been performed in the temperature range 10-300 K and 300-1173 K. The diffraction experiments were carried out at the DESY-HASYLAB high-resolution powder diffractometer (beamline B2). The transition from ordered (cubic primitive, P4 {sub 1} 32) to disordered (face centred cubic, Fd3m) structure was observed with the increasing Mn{sup 3+} content.

  13. Synthesis and Neutron Powder Diffraction Structural Analysis of Oxidized Delafossite YCuO2.5

    Energy Technology Data Exchange (ETDEWEB)

    Garlea, Vasile O [ORNL; Darie, Celine [Laboratoire of Cristallographie, Grenoble; Isnard, Olivier [Laboratoire of Cristallographie, Grenoble; Bordet, Pierre [Laboratoire of Cristallographie, Grenoble

    2006-01-01

    We report a study of the evolution of the structure of the delafossite-derived compounds YCuO{sub 2+{delta}} as a function of oxygen stoichiometry. The structural details of the oxygenated material YCuO{sub 2.5} were examined by means of high-resolution neutron powder diffraction. We confirmed that YCuO{sub 2.5} adopts an orthorhombic superstructure (a = {radical}3a{sub H}, b=c{sub H}, c=2a{sub H}) in which the anions are located at the center of corner-sharing triangles to form undulating chains of Cu{sup 2+} (s=1/2), running along a-axis direction.

  14. Characterization of Gas-Solid Reactions using In Situ Powder X-ray Diffraction

    DEFF Research Database (Denmark)

    Møller, Kasper Trans; Hansen, Bjarne Rosenlund Søndertoft; Dippel, Ann-Christin

    2014-01-01

    X-ray diffraction is a superior technique for structural characterization of crystalline matter. Here we review the use of in situ powder X-ray diffraction (PXD) mainly for real-time studies of solid/gas reactions, data analysis and the extraction of valuable knowledge of structural, chemical...

  15. An in situ powder neutron diffraction study of nano-precipitate formation during processing of oxide-dispersion-strengthened ferritic steels

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hongtao, E-mail: hongtao.zhang@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Gorley, Michael J. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Chong, Kok Boon; Fitzpatrick, Michael E. [Materials Engineering, The Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom); Roberts, Steve G.; Grant, Patrick S. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)

    2014-01-05

    Highlights: • In situ powder neutron diffraction to study precipitate formation in ODS steel. • First real time observation of nano-precipitate formation during processing. • Y{sub 2}O{sub 3} particles were fully dissolved into steel matrix during mechanical alloy. • The precipitation occurred during annealing of as-milled powder above 900 °C. -- Abstract: The evolution of phases in a Fe–14Cr–10Y{sub 2}O{sub 3} (wt%) oxide-dispersion-strengthened ferritic steel during mechanical alloying (MA) and subsequent annealing was studied by high resolution powder neutron diffraction, with emphasis on the kinetics of oxide-based nano-precipitate formation. Y{sub 2}O{sub 3} particles were completely dissolved into the ferritic matrix during MA. The formation of nano-precipitates was then observed by in situ thermo-diffraction experiments during annealing of as-milled powder above 900 °C, supported by scanning electron microscopy. This revealed nano-precipitate coarsening with increasing annealing temperature. Powder microhardness was measured at various processing stages, and hardness changes are discussed in terms of the measured phase fractions, crystallite size and lattice strain at different temperatures and times.

  16. High resolution x-ray diffraction study of the substrate temperature and thickness dependent microstructure of reactively sputtered epitaxial ZnO films

    KAUST Repository

    Singh, Devendra

    2017-08-24

    Epitaxial ZnO films were grown on c-sapphire by reactive sputtering of zinc target in Ar-O2 mixture. High resolution X-ray diffraction measurements were carried out to obtain lateral and vertical coherence lengths, crystallite tilt and twist, micro-strain and densities of screw and edge dislocations in epilayers of different thickness (25 - 200 nm) and those grown at different temperatures (100 - 500 °C). phgr-scans indicate epitaxial growth in all the cases, although epilayers grown at lower substrate temperatures (100 °C and 200 °C) and those of smaller thickness (25 nm and 50 nm) display inferior microstructural parameters. This is attributed to the dominant presence of initially grown strained 2D layer and subsequent transition to an energetically favorable mode. With increase in substrate temperature, the transition shifts to lower thickness and growth takes place through the formation of 2D platelets with intermediate strain, over which 3D islands grow. Consequently, 100 nm thick epilayers grown at 300 °C display the best microstructural parameters (micro-strain ~1.2 x 10-3, screw and edge dislocation densities ~1.5 x 1010 cm-2 and ~2.3 x 1011 cm-2, respectively). A marginal degradation of microstructural parameters is seen in epilayers grown at higher substrate temperatures, due to the dominance of 3D hillock type growth.

  17. Monitoring protein precipitates by in-house X-ray powder diffraction

    DEFF Research Database (Denmark)

    Ståhl, Kenny; Frankær, Christian Grundahl; Petersen, Jakob

    2013-01-01

    Powder diffraction from protein powders using in-house diffractometers is an effective tool for identification and monitoring of protein crystal forms and artifacts. As an alternative to conventional powder diffractometers a single crystal diffractometer equipped with an X-ray micro-source can...... of protein data sets in the database some problems can be foreseen due to the large number of overlapping peaks in the low-angle region, and small differences in unit cell parameters between pdb-data and powder data. It is suggested that protein entries are supplied with more searchable keywords as protein...... be used to collect powder patterns from 1 l samples. Using a small-angle X-ray scattering (SAXS) camera it is possible to collect data within minutes. A streamlined program has been developed for the calculation of powder patterns from pdb-coordinates, and includes correction for bulk-solvent. A number...

  18. Electron diffraction and high-resolution transmission electron microscopy of the high temperature crystal structures of GexSb2Te3+x (x=1,2,3) phase change material

    NARCIS (Netherlands)

    Kooi, B.J.; de Hosson, J.T.M.

    2002-01-01

    The crystal structures of GeSb2Te4, Ge2Sb2Te5, and Ge3Sb2Te6 were determined using electron diffraction and high-resolution transmission electron microscopy. The structure determined for the former two crystals deviates from the ones proposed in the literature. These crystal structures were

  19. Multipole electron-density modelling of synchrotron powder diffraction data: the case of diamond

    DEFF Research Database (Denmark)

    Svendsen, H.; Overgaard, J.; Busselez, R.

    2010-01-01

    Accurate structure factors are extracted from synchrotron powder diffraction data measured on crystalline diamond based on a novel multipole model division of overlapping reflection intensities. The approach limits the spherical-atom bias in structure factors extracted from overlapping powder data...... parameter. This directly exposes a correlation between electron density and thermal parameters even for a light atom such as carbon, and it also underlines that in organic systems proper deconvolution of thermal motion is important for obtaining correct static electron densities....

  20. A novel approach for structure analysis of two-dimensional membrane protein crystals using x-ray powder diffraction data

    CERN Document Server

    Dilanian, Ruben A; Varghese, Jose N; Wilkins, Steve W; Oka, Toshihiko; Yagi, Naoto; Quiney, Harry M; Nugent, Keith A

    2010-01-01

    The application of powder diffraction methods in two-dimensional crystallography is regarded as intractable because of the uncertainties associated with overlapping reflections. Here, we report an approach that resolves these ambiguities and provides reliable low-resolution phase information directly from powder diffraction data. We apply our method to the recovery of the structure of the bacteriorhodopsin (bR) molecule to a resolution of 7 angstroms using only powder diffraction data obtained from two-dimensional purple membrane (PM) crystals.

  1. Analysis of urinary stone constituents using powder X-ray diffraction ...

    Indian Academy of Sciences (India)

    Constituents of urinary stones obtained from various patients from western part of India, which is a highly urinary stone disease-prone area, have been analysed. Eight stones from four patients were collected through urologists and have been analysed using powder X-ray diffraction and FT-IR. Thermogravimetric analysis ...

  2. Neutron Powder Diffraction Analysis and Constrained Refinement of Per-Fluorodiphenyl

    DEFF Research Database (Denmark)

    Mackenzie, Gordon A.; Pawley, G. S.; Dietrich, O. W.

    1975-01-01

    It is shown that with the small amount of data available in the neutron powder diffraction method, it is possible, by means of reasonable constraints, to refine a molecular structure involving a large number of atoms. The method has been used to refine the crystal structure of perfluorodiphenyl...

  3. Modelling the X-ray powder diffraction of nitrogen-expanded austenite using the Debye formula

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

    2008-01-01

    Stress-free and homogeneous samples of nitrogen-expanded austenite, a defect-rich f.c.c. structure with a high interstitial nitrogen occupancy (between 0.36 and 0.61), have been studied using X-ray powder diffraction and Debye simulations. The simulations confirm the presence of deformation stack...

  4. Localization of ferrocene in NaY zeolite by powder x-ray and neutron diffraction

    NARCIS (Netherlands)

    Kemner, E.; Overweg, A.R.; Van Eijck, L.; Fitch, A.N.; Suard, E.; De Schepper, I.M.; Kearley, G.J.

    2002-01-01

    We study the inclusion of the metallocene ferrocene Fe(C5H5)2 molecules in the supercages of NaY zeolite. To find the exact location of the ferrocene molecules within the supercages we perform neutron and powder x-ray diffraction on bare NaY zeolite, and on NaY zeolite loaded with one or two

  5. Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders

    Directory of Open Access Journals (Sweden)

    Yifeng Yun

    2015-03-01

    Full Text Available Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED data collection, namely automated diffraction tomography (ADT and rotation electron diffraction (RED, have been developed. Compared with X-ray diffraction (XRD and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni–Se–O–Cl crystals, zeolites, germanates, metal–organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three

  6. Rapid detection and simultaneous genotyping of Cronobacter spp. (formerly Enterobacter sakazakii) in powdered infant formula using real-time PCR and high resolution melting (HRM) analysis

    National Research Council Canada - National Science Library

    Cai, Xian-Quan; Yu, Hai-Qiong; Ruan, Zhou-Xi; Yang, Lei-Liang; Bai, Jian-Shan; Qiu, De-Yi; Jian, Zhi-Hua; Xiao, Yi-Qian; Yang, Jie-Yang; Le, Thanh Hoa; Zhu, Xing-Quan

    2013-01-01

    .... The present study developed an assay integrating real-time PCR and high resolution melting (HRM) analysis targeting the OmpA gene for the specific detection and rapid identification of Cronobacter spp...

  7. Rapid Detection and Simultaneous Genotyping of Cronobacter spp. (formerly Enterobacter sakazakii) in Powdered Infant Formula Using Real-time PCR and High Resolution Melting (HRM) Analysis: e67082

    National Research Council Canada - National Science Library

    Xian-Quan Cai; Hai-Qiong Yu; Zhou-Xi Ruan; Lei-Liang Yang; Jian-Shan Bai; De-Yi Qiu; Zhi-Hua Jian; Yi-Qian Xiao; Jie-Yang Yang; Thanh Hoa Le; Xing-Quan Zhu

    2013-01-01

    .... The present study developed an assay integrating real-time PCR and high resolution melting (HRM) analysis targeting the OmpA gene for the specific detection and rapid identification of Cronobacter spp...

  8. Real-time powder diffraction studies of energy materials under non-equilibrium conditions

    Directory of Open Access Journals (Sweden)

    Vanessa K. Peterson

    2017-09-01

    Full Text Available Energy materials form the central part of energy devices. An essential part of their function is the ability to reversibly host charge or energy carriers, and analysis of their phase composition and structure in real time under non-equilibrium conditions is mandatory for a full understanding of their atomic-scale functional mechanism. Real-time powder diffraction is increasingly being applied for this purpose, forming a critical step in the strategic chemical engineering of materials with improved behaviour. This topical review gives examples of real-time analysis using powder diffraction of rechargeable battery electrodes and porous sorbent materials used for the separation and storage of energy-relevant gases to demonstrate advances in the insights which can be gained into their atomic-scale function.

  9. Real-time powder diffraction studies of energy materials under non-equilibrium conditions

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Vanessa K.; Auckett, Josie E.; Pang, Wei-Kong

    2017-09-01

    Energy materials form the central part of energy devices. An essential part of their function is the ability to reversibly host charge or energy carriers, and analysis of their phase composition and structure in real time under non-equilibrium conditions is mandatory for a full understanding of their atomic-scale functional mechanism. Real-time powder diffraction is increasingly being applied for this purpose, forming a critical step in the strategic chemical engineering of materials with improved behaviour. This topical review gives examples of real-time analysis using powder diffraction of rechargeable battery electrodes and porous sorbent materials used for the separation and storage of energy-relevant gases to demonstrate advances in the insights which can be gained into their atomic-scale function.

  10. Synchrotron radiation X-ray powder diffraction techniques applied in hydrogen storage materials - A review

    Directory of Open Access Journals (Sweden)

    Honghui Cheng

    2017-02-01

    Full Text Available Synchrotron radiation is an advanced collimated light source with high intensity. It has particular advantages in structural characterization of materials on the atomic or molecular scale. Synchrotron radiation X-ray powder diffraction (SR-XRPD has been successfully exploited to various areas of hydrogen storage materials. In the paper, we will give a brief introduction on hydrogen storage materials, X-ray powder diffraction (XRPD, and synchrotron radiation light source. The applications of ex situ and in situ time-resolved SR-XRPD in hydrogen storage materials, are reviewed in detail. Future trends and proposals in the applications of the advanced XRPD techniques in hydrogen storage materials are also discussed.

  11. X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects.

    Science.gov (United States)

    Dinnebier, Robert E; Fischer, Andrea; Eggert, Gerhard; Runčevski, Tomče; Wahlberg, Nanna

    2016-06-08

    The crystal structure determination and refinement process of corrosion products on historic art objects using laboratory high-resolution X-ray powder diffraction (XRPD) is presented in detail via two case studies. The first material under investigation was sodium copper formate hydroxide oxide hydrate, Cu4Na4O(HCOO)8(OH)2∙4H2O (sample 1) which forms on soda glass/copper alloy composite historic objects (e.g., enamels) in museum collections, exposed to formaldehyde and formic acid emitted from wooden storage cabinets, adhesives, etc. This degradation phenomenon has recently been characterized as "glass induced metal corrosion". For the second case study, thecotrichite, Ca3(CH3COO)3Cl(NO3)2∙6H2O (sample 2), was chosen, which is an efflorescent salt forming needlelike crystallites on tiles and limestone objects which are stored in wooden cabinets and display cases. In this case, the wood acts as source for acetic acid which reacts with soluble chloride and nitrate salts from the artifact or its environment. The knowledge of the geometrical structure helps conservation science to better understand production and decay reactions and to allow for full quantitative analysis in the frequent case of mixtures.

  12. High-pressure powder x-ray diffraction experiments on Zn at low temperature

    CERN Document Server

    Takemura, K; Fujihisa, H; Kikegawa, T

    2002-01-01

    High-pressure powder x-ray diffraction experiments have been performed on Zn with a He-pressure medium at low temperature. When the sample was compressed in the He medium at low temperature, large nonhydrostaticity developed, yielding erroneous lattice parameters. On the other hand, when the pressure was changed at high temperatures, good hydrostaticity was maintained. No anomaly in the volume dependence of the c/a axial ratio has been found.

  13. Revealing the powdering methods of black makeup in Ancient Egypt by fitting microstructure based Fourier coefficients to the whole x-ray diffraction profiles of galena

    Science.gov (United States)

    Ungár, T.; Martinetto, P.; Ribárik, G.; Dooryhée, E.; Walter, Ph.; Anne, M.

    2002-02-01

    Galena (PbS) is a major ingredient in ancient Egyptian eye makeup. The microstructure of PbS in Egyptian cosmetic powders is used as a fingerprint and is matched with the microstructures produced artificially in geological galena minerals. The microstructure of PbS is determined by x-ray diffraction peak profile analysis in terms of dislocation density, crystallite size, and size distribution. High-resolution powder diffractograms were measured at the ESRF Grenoble synchrotron source with high resolution and high peak-to-background ratios. The Fourier coefficients of the first nine measured reflections of galena are fitted using physically based Fourier coefficients of strain and size functions. Strain anisotropy is accounted for by the dislocation model of the mean square strain. The x-ray data are supplemented by scanning electron microscopy (SEM) and transmission electron microscopy (TEM) micrographs, and are compared with archæological documents. It enables us to describe the procedures of eye makeup manufacturing in the Middle and New Kingdoms of Egypt some 2000 years before Christ.

  14. An X-ray diffraction analysis of crystallised whey and whey-permeate powders.

    Science.gov (United States)

    Nijdam, Justin; Ibach, Alexander; Eichhorn, Klaus; Kind, Matthias

    2007-11-26

    Amorphous whey, whey-permeate and lactose powders have been crystallised at various air temperatures and humidities, and these crystallised powders have been examined using X-ray diffraction. The most stable lactose crystal under normal storage conditions, alpha-lactose monohydrate, forms preferentially in whey and whey-permeate powders at 50 degrees C, provided sufficient moisture is available, whereas anhydrous beta-lactose and mixed anhydrous lactose crystals, which are unstable under normal storage conditions, form preferentially at 90 degrees C. Thus, faster crystallisation at higher temperatures is offset by the formation of lactose-crystal forms that are less stable under normal storage conditions. Very little alpha-lactose monohydrate crystallised in the pure lactose powders over the range of temperatures and humidities tested, because the crystallisation of alpha- and beta-lactose is considerably more rapid than the mutarotation of beta- to alpha-lactose in the amorphous phase and the hydration of alpha-lactose during crystallisation. Protein and salts hinder the crystallisation process, which provides more time for mutarotation and crystal hydration in the whey and whey-permeate powders.

  15. Hybrid Powder - Single Crystal X-Ray Diffraction Instrument for Planetary Mineralogical Analysis of Unprepared Samples Project

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to develop a planetary exploration XRD/XRF instrument based on a hybrid diffraction approach that complements powder XRD analysis, similar to that of the...

  16. STEM Electron Diffraction and High Resolution Images Used in the Determination of the Crystal Structure of Au144(SR)60Cluster.

    Science.gov (United States)

    Bahena, Daniel; Bhattarai, Nabraj; Santiago, Ulises; Tlahuice, Alfredo; Ponce, Arturo; Bach, Stephan B H; Yoon, Bokwon; Whetten, Robert L; Landman, Uzi; Jose-Yacaman, Miguel

    2013-03-07

    Determination of the total structure of molecular nanocrystals is an outstanding experimental challenge that has been met, in only a few cases, by single-crystal X-ray diffraction. Described here is an alternative approach that is of most general applicability and does not require the fabrication of a single crystal. The method is based on rapid, time-resolved nanobeam electron diffraction (NBD) combined with high-angle annular dark field scanning/transmission electron microscopy (HAADF-STEM) images in a probe corrected STEM microscope, operated at reduced voltages. The results are compared with theoretical simulations of images and diffraction patterns obtained from atomistic structural models derived through first-principles density functional theory (DFT) calculations. The method is demonstrated by application to determination of the structure of the Au 144 (SCH 2 CH 2 Ph) 60 cluster.

  17. Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.

    Science.gov (United States)

    Maguire, Courtney K; Brunskill, Andrew P J

    2015-06-01

    Knowledge of the unit cell volume of a crystalline form and the expected space filling requirements of an API molecule can be used to determine if a crystalline material is likely to be multicomponent, such as a solvate, hydrate, salt, or a co-crystal. The unit cell information can be readily accessed from powder diffraction data alone utilizing powder indexing methodology. If the unit cell has additional space not likely attributable to the API entity, then there is either a void or another component within the crystal lattice. This "leftover" space can be used to determine the likely stoichiometry of the additional component. A simple approach for calculating the expected required volume for a given molecule within a crystal using an atom based additive approach will be discussed. Coupling this estimation with the actual unit cell volumes and space group information obtained from powder indexing allows for the rapid evaluation of the likely stoichiometry of multicomponent crystals using diffraction data alone. This approach is particularly useful for the early assessment of new phases during salt, co-crystal, and polymorph screening, and also for the characterization of stable and unstable solvates.

  18. Fast X-ray powder diffraction on I11 at Diamond.

    Science.gov (United States)

    Thompson, Stephen P; Parker, Julia E; Marchal, Julien; Potter, Jonathan; Birt, Adrian; Yuan, Fajin; Fearn, Richard D; Lennie, Alistair R; Street, Steven R; Tang, Chiu C

    2011-07-01

    The commissioning and performance characterization of a position-sensitive detector designed for fast X-ray powder diffraction experiments on beamline I11 at Diamond Light Source are described. The detecting elements comprise 18 detector-readout modules of MYTHEN-II silicon strip technology tiled to provide 90° coverage in 2θ. The modules are located in a rigid housing custom designed at Diamond with control of the device fully integrated into the beamline data acquisition environment. The detector is mounted on the I11 three-circle powder diffractometer to provide an intrinsic resolution of Δ2θ approximately equal to 0.004°. The results of commissioning and performance measurements using reference samples (Si and AgI) are presented, along with new results from scientific experiments selected to demonstrate the suitability of this facility for powder diffraction experiments where conventional angle scanning is too slow to capture rapid structural changes. The real-time dehydrogenation of MgH(2), a potential hydrogen storage compound, is investigated along with ultrafast high-throughput measurements to determine the crystallite quality of different samples of the metastable carbonate phase vaterite (CaCO(3)) precipitated and stabilized in the presence of amino acid molecules in a biomimetic synthesis process.

  19. Prospects of high-resolution resonant X-ray inelastic scattering studies on solid materials, liquids and gases at diffraction-limited storage rings

    NARCIS (Netherlands)

    Schmitt, Thorsten; de Groot, Frank M. F.; Rubensson, Jan-Erik

    The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for

  20. Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

    Science.gov (United States)

    Rawn, C.J.; Rondinone, A.J.; Chakoumakos, B.C.; Circone, S.; Stern, L.A.; Kirby, S.H.; Ishii, Y.

    2003-01-01

    Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled using rigid-body constraints to describe C3H8 molecules located in the eight larger polyhedral cavities of a deuterated host lattice. Data were collected at 12, 40, 100, 130, 160, 190, 220, and 250 K and used to calculate the thermal expansivity from the temperature dependence of the lattice parameters. The data collected allowed for full structural refinement of atomic coordinates and the atomic-displacement parameters.

  1. Determination of Ni(II) crystal structure by powder x-ray diffraction ...

    African Journals Online (AJOL)

    X-ray powder diffraction pattern was used to determine the length of the unit cell, “a”, the lattice structure type, and the number of atoms per unit cell of Ni(II) crystal. The “a” value was determined to be 23.66 ± 0.005 Å, particle size of 34.87 nm, volume 13.24 Å and Strain value ε = 9.8 x 10-3. The cell search on PXRD patterns ...

  2. Extending the reach of powder diffraction modelling by user defined macros

    CERN Document Server

    Scardi, Paolo

    2010-01-01

    The main focus of this special topic volume is the development and possibilities of the MACRO language within TOPAS, with a specific session dedicated to WPPM. The collection is presented here in the form of a ""macro tutorial"" for the benefit of the entire powder diffraction community. More than a collection of standard scientific papers, the contributions to this special issue provide methods, tutorials and practical suggestions and solutions for the proper use of TOPAS and WPPM in a number of applications; ranging from the most common to the most refined and specific cases.Readers will fin

  3. Crystal structures of eight mono-methyl alkanes (C26–C32 via single-crystal and powder diffraction and DFT-D optimization

    Directory of Open Access Journals (Sweden)

    Lee Brooks

    2015-09-01

    Full Text Available The crystal structures of eight mono-methyl alkanes have been determined from single-crystal or high-resolution powder X-ray diffraction using synchrotron radiation. Mono-methyl alkanes can be found on the cuticles of insects and are believed to act as recognition pheromones in some social species, e.g. ants, wasps etc. The molecules were synthesized as pure S enantiomers and are (S-9-methylpentacosane, C26H54; (S-9-methylheptacosane and (S-11-methylheptacosane, C28H58; (S-7-methylnonacosane, (S-9-methylnonacosane, (S-11-methylnonacosane and (S-13-methylnonacosane, C30H62; and (S-9-methylhentriacontane, C32H66. All crystallize in space group P21. Depending on the position of the methyl group on the carbon chain, two packing schemes are observed, in which the molecules pack together hexagonally as linear rods with terminal and side methyl groups clustering to form distinct motifs. Carbon-chain torsion angles deviate by less than 10° from the fully extended conformation, but with one packing form showing greater curvature than the other near the position of the methyl side group. The crystal structures are optimized by dispersion-corrected DFT calculations, because of the difficulties in refining accurate structural parameters from powder diffraction data from relatively poorly crystalline materials.

  4. High resolution neutron diffractometer HRND at research reactor CMRR

    Science.gov (United States)

    Zhang, J.; Xia, Y.; Wang, Y.; Xie, C.; Sun, G.; Liu, L.; Pang, B.; Li, J.; Huang, C.; Liu, Y.; Gong, J.

    2018-01-01

    The high resolution neutron diffractometer HRND is located at the 20 MW China Mianyang Research Reactor (CMRR), which is a neutron powder diffractometer especially dedicated to crystal and magnetic structure studies for polycrystalline powder samples. A vertical focusing Ge (511) monochromator produce a monochromatic neutron beam with a wavelength of 1.885 Å at a fixed take-off angle of 120o. An array of 64 equidistant 3He filled proportional counters can acquire diffraction patterns with a large-scale diffraction angle range over 160o. As all the Soller slit collimators of HRND have a collimation angle of 10' and the monochromator has an average mosaicity of 0.359o, HRND obtains a best resolution of about 1.6\\textperthousand based on experiments, which makes the resolution of HRND can compete with the mainstream-level high resolution neutron powder diffractometers in the world. Equipped with a cryostat and a furnace, HRND allows structural characterization in an extremely broad temperature range. The details of the configuration and performance of the instrument are reported along with its specifications and performance assessments in the present paper.

  5. The storage degradation of an 18650 commercial cell studied using neutron powder diffraction

    Science.gov (United States)

    Lee, Po-Han; Wu, She-huang; Pang, Wei Kong; Peterson, Vanessa K.

    2018-01-01

    Commercial 18650 lithium ion cells containing a blended positive electrode of layered LiNi0.5Mn0.3Co0.2O2 and spinel Li1.1Mn1.9O4 alongside a graphite negative electrode were stored at various depth-of-discharge (DoD) at 60 °C for 1, 2, 4, and 6 months. After storage, the cells were cycled at C/25 at 25 °C between 2.75 and 4.2 V for capacity determination and incremental capacity analysis (ICA). In addition to ICA analysis, the mechanism for capacity fade was investigated by combining the results of neutron powder diffraction under in-situ and operando conditions, in conjunction with post-mortem studies of the electrodes using synchrotron X-ray powder diffraction and inductively-coupled plasma optical emission spectroscopy. Among the cells, those stored at 25% DoD suffered the highest capacity fade due to their higher losses of active Li, NMC, and LMO than cells stored at other DoD. The cells stored at 0% DoD shows second high capacity fade because they exhibit the highest of active LMO and graphite anode among the stored cells and higher losses of active Li and NMC than cells stored at 50% DoD.

  6. A multi-step strategy to obtain crystals of the dengue virus RNA-dependent RNA polymerase that diffract to high resolution

    Energy Technology Data Exchange (ETDEWEB)

    Yap, Thai Leong [Novartis Institute for Tropical Diseases, 10 Biopolis Road, Chromos Building, Singapore 138670 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore); Chen, Yen Liang; Xu, Ting; Wen, Daying; Vasudevan, Subhash G. [Novartis Institute for Tropical Diseases, 10 Biopolis Road, Chromos Building, Singapore 138670 (Singapore); Lescar, Julien, E-mail: julien@ntu.edu.sg [Novartis Institute for Tropical Diseases, 10 Biopolis Road, Chromos Building, Singapore 138670 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore)

    2007-02-01

    Crystals of the RNA-dependent RNA polymerase catalytic domain from the dengue virus NS5 protein have been obtained using a strategy that included expression screening of naturally occurring serotype variants of the protein, the addition of divalent metal ions and crystal dehydration. These crystals diffract to 1.85 Å resolution and are thus suitable for a structure-based drug-design program. Dengue virus, a member of the Flaviviridae genus, causes dengue fever, an important emerging disease with several million infections occurring annually for which no effective therapy exists. The viral RNA-dependent RNA polymerase NS5 plays an important role in virus replication and represents an interesting target for the development of specific antiviral compounds. Crystals that diffract to 1.85 Å resolution that are suitable for three-dimensional structure determination and thus for a structure-based drug-design program have been obtained using a strategy that included expression screening of naturally occurring serotype variants of the protein, the addition of divalent metal ions and crystal dehydration.

  7. About some practical aspects of X-ray diffraction : From powder to thin film

    Energy Technology Data Exchange (ETDEWEB)

    Valvoda, V. [Charles Univ. Prague (Czech Republic). Faculty of Mathematics and Physics

    1996-09-01

    Structure of thin films can be amorphous, polycrystalline or epitaxial, and the films can be prepared as a single layer films, multilayers or as graded films. A complete structure analysis of thin films by means of X-ray diffraction (XRD) usually needs more than one diffraction geometry to be used. Their principles, advantages and disadvantages will be shortly described, especially with respect to their different sampling depth and different response to orientation of diffracting crystallographic planes. Main differences in structure of thin films with respect to powder samples are given by a singular direction of their growth, by their adhesion to a substrate and often also by a simultaneous bombardment by atomic species during the growth. It means that a thermodynamically unstable atomic structures can be found too. These special features of growth of thin polycrystalline films are reflected in often found strong preferred orientation of grains and in residual stresses conserved in the films. The methods of structure analysis of thin films by XRD will be compared with other techniques which can supply structure images on different scales.

  8. A novel technique combining high-resolution synchrotron x-ray microtomography and x-ray diffraction for characterization of micro particulates

    Science.gov (United States)

    Merrifield, David R.; Ramachandran, Vasuki; Roberts, Kevin J.; Armour, Wesley; Axford, Danny; Basham, Mark; Connolley, Thomas; Evans, Gwyndaf; McAuley, Katherine E.; Owen, Robin L.; Sandy, James

    2011-11-01

    The processing of solids, such as crystals, is strongly influenced by the surface properties of the material. In recent years the pharmaceutical industry has shown great interest in identifying, or chemically speciating, the molecular components of crystal faces. Formerly, characterization of the molecular identity of crystal faces was restricted to the study of large single crystals. This would have been primarily for structure determination as part of the drug registration process. Diamond Light Source in Oxfordshire is a new synchrotron facility in the UK, having 18 operational beamlines with 4 more in the construction phase. Beamlines at this medium energy light source enable the study of micron-sized objects in great detail. It is well known that x-ray microtomography (XMT) can be used to investigate the external morphology of a crystal whereas x-ray diffraction (XRD) is used to study the molecular orientation, structure and packing within the crystal. The objective of this research is to assess the feasibility of, and thereby develop a new methodology for, characterizing the molecular identity of a particular face of a crystalline particle at a scale of scrutiny of 20-50 µm by combining these two powerful techniques. This work demonstrates the application of XMT and XRD to investigate respectively the shape and crystalline phase/orientation of relevant test crystals. This research has applications in the pharmaceutical industry in that when the exact molecular nature of a particular face is known, the important physico-pharmaceutical properties stemming from that can be better understood. Some initial data are presented and discussed.

  9. Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Djalma Menezes de; Mussel, Wagner da Nova; Duarte, Lucienir Pains; Silva, Gracia Divina de Fatima; Duarte, Helio Anderson; Gomes, Elionai Cassiana de Lima [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Quimica; Guimaraes, Luciana [Universidade Federal de Sao Joao Del-Rei (UFSJ), MG (Brazil). Dept. de Ciencias Naturais; Vieira Filho, Sidney A., E-mail: bibo@ef.ufop.br [Universidade Federal de Ouro Preto (UFOP), MG (Brazil). Dept. de Farmacia

    2012-07-01

    Friedelin molecular conformers were obtained by Density Functional Theory (DFT) and by ab initio structure determination from powder X-ray diffraction. Their conformers with the five rings in chair-chair-chair-boat-boat, and with all rings in chair, are energy degenerated in gas-phase according to DFT results. The powder diffraction data reveals that rings A, B and C of friedelin are in chair, and rings D and E in boat-boat, conformation. The high correlation values among powder diffraction data, DFT and reported single crystal data indicate that the use of conventional X-ray diffractometer can be applied in routine laboratory analysis in the absence of a single-crystal diffractometer. (author)

  10. Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin

    Directory of Open Access Journals (Sweden)

    Djalma Menezes de Oliveira

    2012-01-01

    Full Text Available Friedelin molecular conformers were obtained by Density Functional Theory (DFT and by ab initio structure determination from powder X-ray diffraction. Their conformers with the five rings in chair-chair-chair-boat-boat, and with all rings in chair, are energy degenerated in gas-phase according to DFT results. The powder diffraction data reveals that rings A, B and C of friedelin are in chair, and rings D and E in boat-boat, conformation. The high correlation values among powder diffraction data, DFT and reported single-crystal data indicate that the use of conventional X-ray diffractometer can be applied in routine laboratory analysis in the absence of a single-crystal diffractometer.

  11. Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study

    DEFF Research Database (Denmark)

    Stahl, K.; Andersen, Jens Enevold Thaulov; Shim, Irene

    2009-01-01

    The crystal structures of strontium diformate in space groups P2(1)2(1)2(1) (alpha form, 295 K), P4(1)2(1)2 (beta form, 334 and 540 K) and I4(1)/amd (delta form, 605 K), and strontium fumarate in space groups Fddd (beta form, 105 K) and I4(1)/amd (alpha form, 293 K) have been determined from...... synchrotron X-ray powder diffraction data. Except for the alpha-strontium diformate, all the structures are based on a diamond-like Sr-ion arrangement, as in strontium acetylene dicarboxylate. The formate ions are disordered in the delta phase owing to steric hindrance. The fumarate ions are disordered over...... four (alpha) or two (beta) symmetry-equivalent orientations. alpha-Strontium fumarate crystallizes with a unique 90 degrees carboxylate dihedral angle, and is stable up to 773 K....

  12. Characterization of polymorphic solid-state changes using variable temperature X-ray powder diffraction

    DEFF Research Database (Denmark)

    Karjalainen, Milja; Airaksinen, Sari; Rantanen, Jukka

    2005-01-01

    The aim of this study was to use variable temperature X-ray powder diffraction (VT-XRPD) to understand the solid-state changes in the pharmaceutical materials during heating. The model compounds studied were sulfathiazole, theophylline and nitrofurantoin. This study showed that the polymorph form...... of sulfathiazole SUTHAZ01 was very stable and SUTHAZ02 changed as a function of temperature to SUTHAZ01. Theophylline monohydrate changed via its metastable form to its anhydrous form during heating and nitrofurantoin monohydrate changed via amorphous form to its anhydrous form during heating. The crystallinity...... of SUTHAZ01, SUTHAZ02 and theophylline monohydrate were very high and stable. Nitrofurantoin monohydrate was also very crystalline at room temperature but during heating at lower temperatures the crystallinity decreased and started to increase strongly at the temperature where the sample had changed...

  13. Component analyses of urinary nanocrystallites of uric acid stone formers by combination of high-resolution transmission electron microscopy, fast Fourier transformation, energy dispersive X-ray spectroscopy, X-ray diffraction and Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Sun, Xin-Yuan; Xue, Jun-Fa; Xia, Zhi-Yue; Ouyang, Jian-Ming

    2015-06-01

    This study aimed to analyse the components of nanocrystallites in urines of patients with uric acid (UA) stones. X-ray diffraction (XRD), Fourier transform infrared spectroscopy, high-resolution transmission electron microscopy (HRTEM), fast Fourier transformation (FFT) of HRTEM, and energy dispersive X-ray spectroscopy (EDS) were performed to analyse the components of these nanocrystallites. XRD and FFT showed that the main component of urinary nanocrystallites was UA, which contains a small amount of calcium oxalate monohydrate and phosphates. EDS showed the characteristic absorption peaks of C, O, Ca and P. The formation of UA stones was closely related to a large number of UA nanocrystallites in urine. A combination of HRTEM, FFT, EDS and XRD analyses could be performed accurately to analyse the components of urinary nanocrystallites.

  14. Rapid Screening Technique To Identify Sudan Dyes (I to IV) in Adulterated Tomato Sauce, Chilli Powder, and Palm Oil by Innovative High-Resolution Mass Spectrometry.

    Science.gov (United States)

    Sciuto, Simona; Esposito, Giovanna; Dell'Atti, Luana; Guglielmetti, Chiara; Acutis, Pier Luigi; Martucci, Francesca

    2017-04-01

    Sudan dyes are synthetic azo dyes used by industry in a variety of applications. Classified as carcinogenic, they are not allowed in foodstuffs; however, their presence as adulterants in food products has been regularly reported. Here, we describe an innovative screening method to detect Sudan I, II, III, and IV in tomato sauce, palm oil, and chilli powder. The method entails minimal sample preparation, completely avoiding the liquid chromatography phase, followed by detection and identification through atmospheric pressure chemical ionization time-of-flight mass spectrometry, in positive ionization mode. Analytes were efficiently identified and detected in samples, fortified both with individual analytes and with their mixture, with an error in mass identification less than 5 ppm. Limits of identification of the analytes in the fortified samples were 0.5 to 1 mg/kg, depending on the dye and matrix. The method had a linear range of 0.05 to 5 mg/kg and good linear relationships (R2 > 0.98). Repeatability was satisfactory, with a coefficient of variation lower than 20%. The method was applied to detect the dyes in real adulterated chilli samples, previously found positive by confirmatory high-performance liquid chromatography-mass spectrometry and ELISA, and in commercial products purchased from supermarkets. In all positive samples, analytes were correctly identified with an error in mass identification lower than 5 ppm, while none of the 45 commercial samples analyzed were found to be contaminated. The proposed new assay is sensitive, with a limit of identification, for all the three matrices, complying with the limits defined by the European Union (0.5 to 1 mg/kg) for analytical methods. Compared with conventional methods, the new assay is rapid and inexpensive and characterized by a high throughput; thus, it could be suitable as screening technique to identify Sudan dyes in adulterated food products.

  15. High Resolution Elevation Contours

    Data.gov (United States)

    Minnesota Department of Natural Resources — This dataset contains contours generated from high resolution data sources such as LiDAR. Generally speaking this data is 2 foot or less contour interval.

  16. Using Variable Temperature Powder X-Ray Diffraction to Determine the Thermal Expansion Coefficient of Solid MgO

    Science.gov (United States)

    Corsepius, Nicholas C.; DeVore, Thomas C.; Reisner, Barbara A.; Warnaar, Deborah L.

    2007-01-01

    A laboratory exercise was developed by using variable temperature powder X-ray diffraction (XRD) to determine [alpha] for MgO (periclase)and was tested in the Applied Physical Chemistry and Materials Characterization Laboratories at James Madison University. The experiment which was originally designed to provide undergraduate students with a…

  17. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

    DEFF Research Database (Denmark)

    van de Streek, Jacco; Neumann, Marcus A

    2014-01-01

    In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published...

  18. Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

    DEFF Research Database (Denmark)

    Gumbert, Silke D.; Körbitzer, Meike; Alig, Edith

    2016-01-01

    The crystal structure of C.I. Pigment Yellow 138 was determined from X-ray powder diffraction data using real-space methods with subsequent Rietveld refinements. The tautomeric state was investigated by solid-state 1D and 2D multinuclear NMR experiments. In the crystals, the compound exhibits...... is not a packing effect, but caused by intramolecular steric hindrance....

  19. Microelemental and mineral compositions of pathogenic biomineral concrements: SRXFA, X-ray powder diffraction and vibrational spectroscopy data

    Energy Technology Data Exchange (ETDEWEB)

    Moroz, T.N. [Institute of Geology and Mineralogy, SB RAS, Pr. Akad. Koptyuga, 3, 630090 Novosibirsk (Russian Federation)], E-mail: moroz@uiggm.nsc.ru; Palchik, N.A.; Dar' in, A.V. [Institute of Geology and Mineralogy, SB RAS, Pr. Akad. Koptyuga, 3, 630090 Novosibirsk (Russian Federation)

    2009-05-11

    X-ray fluorescence analysis using synchrotron radiation (SRXRF), X-ray powder diffraction, infrared and Raman spectroscopy had been applied for determination of microelemental and mineral composition of the kidney stones, gallstones and salivalities from natives of Novosibirsk and Novosibirsk region, Russia. The relationship between mineral, organic and microelemental composition of pathogenic calcilus was shown.

  20. Kinetic products in coordination networks: ab initio X-ray powder diffraction analysis.

    Science.gov (United States)

    Martí-Rujas, Javier; Kawano, Masaki

    2013-02-19

    Porous coordination networks are materials that maintain their crystal structure as molecular "guests" enter and exit their pores. They are of great research interest with applications in areas such as catalysis, gas adsorption, proton conductivity, and drug release. As with zeolite preparation, the kinetic states in coordination network preparation play a crucial role in determining the final products. Controlling the kinetic state during self-assembly of coordination networks is a fundamental aspect of developing further functionalization of this class of materials. However, unlike for zeolites, there are few structural studies reporting the kinetic products made during self-assembly of coordination networks. Synthetic routes that produce the necessary selectivity are complex. The structural knowledge obtained from X-ray crystallography has been crucial for developing rational strategies for design of organic-inorganic hybrid networks. However, despite the explosive progress in the solid-state study of coordination networks during the last 15 years, researchers still do not understand many chemical reaction processes because of the difficulties in growing single crystals suitable for X-ray diffraction: Fast precipitation can lead to kinetic (metastable) products, but in microcrystalline form, unsuitable for single crystal X-ray analysis. X-ray powder diffraction (XRPD) routinely is used to check phase purity, crystallinity, and to monitor the stability of frameworks upon guest removal/inclusion under various conditions, but rarely is used for structure elucidation. Recent advances in structure determination of microcrystalline solids from ab initio XRPD have allowed three-dimensional structure determination when single crystals are not available. Thus, ab initio XRPD structure determination is becoming a powerful method for structure determination of microcrystalline solids, including porous coordination networks. Because of the great interest across scientific

  1. Versatile in situ powder X-ray diffraction cells for solid-gas investigations

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Torben R.; Nielsen, Thomas K.; Joergensen, Jens-Erik [Aarhus Univ. (Denmark). Center for Energy Materials, Center for Materials Crystallography; Filinchuk, Yaroslav [European Synchrotron Radiation Facility, Grenoble (France). Swiss-Norwegian Beam Lines; Cerenius, Yngve [Lund Univ. (Sweden). MAX-lab; Gray, Evan MacA.; Webb, Colin J. [Griffith Univ., Nathan, Brisbane (Australia). Queensland Micro- and Nanotechnology Centre

    2010-12-15

    This paper describes new sample cells and techniques for in situ powder X-ray diffraction specifically designed for gas absorption studies up to ca 300 bar (1 bar = 100 000 Pa) gas pressure. The cells are for multipurpose use, in particular the study of solid-gas reactions in dosing or flow mode, but can also handle samples involved in solid-liquid-gas studies. The sample can be loaded into a single-crystal sapphire (Al{sub 2}O{sub 3}) capillary, or a quartz (SiO{sub 2}) capillary closed at one end. The advantages of a sapphire single-crystal cell with regard to rapid pressure cycling are discussed, and burst pressures are calculated and measured to be {proportional_to}300 bar. An alternative and simpler cell based on a thin-walled silicate or quartz glass capillary, connected to a gas source via a VCR fitting, enables studies up to {proportional_to}100 bar. Advantages of the two cell types are compared and their applications are illustrated by case studies. (orig.)

  2. Crystal structure of radium sulfate: An X-ray powder diffraction and density functional theory study

    Science.gov (United States)

    Matyskin, Artem V.; Ylmen, Rikard; Lagerkvist, Petra; Ramebäck, Henrik; Ekberg, Christian

    2017-09-01

    Radium-barium sulfate (Ra0.76Ba0.24SO4) powder was examined using X-ray Diffraction (XRD) technique and its crystal structure was optimized using Density Functional Theory (DFT). XRD data show that radium and barium sulfate form a solid solution and that Ra0.76Ba0.24SO4 is orthorhombic and isostructural with pure RaSO4, barite (BaSO4), celestite (SrSO4) and anglesite (PbSO4), crystallizing in the space group Pmna (No. 62). The unit cell parameters of the Ra0.76Ba0.24SO4 crystal have been determined using Rietveld refinement and were extrapolated to unit cell parameters of the pure RaSO4 phase using Vegard's law: a=9.129(8), b=5.538(3), c=7.313(5) Å. DFT geometry optimization was used to derive atomic coordinates and interatomic distances in both Ra0.76Ba0.24SO4 and pure RaSO4. The experimental and DFT geometry optimization results obtained in this work are in good agreement with each other, and furthermore with literature data.

  3. Kinetics of methane hydrate decomposition studied via in situ low temperature X-ray powder diffraction.

    Science.gov (United States)

    Everett, S Michelle; Rawn, Claudia J; Keffer, David J; Mull, Derek L; Payzant, E Andrew; Phelps, Tommy J

    2013-05-02

    Gas hydrate is known to have a slowed decomposition rate at ambient pressure and temperatures below the melting point of ice. As hydrate exothermically decomposes, gas is released and water of the clathrate cages transforms into ice. Based on results from the decomposition of three nominally similar methane hydrate samples, the kinetics of two regions, 180-200 and 230-260 K, within the overall decomposition range 140-260 K, were studied by in situ low temperature X-ray powder diffraction. The kinetic rate constants, k(a), and the reaction mechanisms, n, for ice formation from methane hydrate were determined by the Avrami model within each region, and activation energies, E(a), were determined by the Arrhenius plot. E(a) determined from the data for 180-200 K was 42 kJ/mol and for 230-260 K was 22 kJ/mol. The higher E(a) in the colder temperature range was attributed to a difference in the microstructure of ice between the two regions.

  4. Validation of powder X-ray diffraction following EN ISO/IEC 17025.

    Science.gov (United States)

    Eckardt, Regina; Krupicka, Erik; Hofmeister, Wolfgang

    2012-05-01

    Powder X-ray diffraction (PXRD) is used widely in forensic science laboratories with the main focus of qualitative phase identification. Little is found in literature referring to the topic of validation of PXRD in the field of forensic sciences. According to EN ISO/IEC 17025, the method has to be tested for several parameters. Trueness, specificity, and selectivity of PXRD were tested using certified reference materials or a combination thereof. All three tested parameters showed the secure performance of the method. Sample preparation errors were simulated to evaluate the robustness of the method. These errors were either easily detected by the operator or nonsignificant for phase identification. In case of the detection limit, a statistical evaluation of the signal-to-noise ratio showed that a peak criterion of three sigma is inadequate and recommendations for a more realistic peak criterion are given. Finally, the results of an international proficiency test showed the secure performance of PXRD. © 2012 American Academy of Forensic Sciences.

  5. Neutron Powder Diffraction Study on the Magnetic Structure of NdPd5Al2

    Science.gov (United States)

    Metoki, Naoto; Yamauchi, Hiroki; Kitazawa, Hideaki; Suzuki, Hiroyuki S.; Hagihala, Masato; Frontzek, Matthias D.; Matsuda, Masaaki; Fernandez-Baca, Jaime A.

    2017-03-01

    The magnetic structure of NdPd5Al2 has been studied by neutron powder diffraction. We observed the magnetic reflections with the modulation vector q = (1/2,0,0) below the ordering temperature TN. We found a collinear magnetic structure with a Nd moment of 2.7(3) μB at 0.5 K parallel to the c-axis, where the ferromagnetically ordered a-planes stack with a four-Nd-layer period having a ++- sequence along the a-direction with the distance between adjacent Nd layers equal to a/2 (magnetic space group Panma). This "stripe"-like modulation is very similar to that in CePd5Al2 with q = (0.235,0.235,0) with the Ce moment parallel to the c-axis. These structures with in-plane modulation are a consequence of the two-dimensional nature of the Fermi surface topology in this family, originating from the unique crystal structure with a very long tetragonal unit cell and a large distance of >7 Å between the rare-earth layers separated by two Pd and one Al layers.

  6. X-ray diffraction line broadening analysis of nanostructured nickel powder

    Science.gov (United States)

    Bahramyan, M.; Hossein Nedjad, S.

    2017-09-01

    X-ray diffraction peak profile analysis is a powerful method for investigation of the microstructural characteristics of nanocrystalline materials produced by severe plastic deformation. Williamson-Hall method, its modification, and Fourier transform methods like Warren-Averbach and its modification are used to extract microstructural information based on integral breadth and Fourier coefficients of the peak profiles. In this work, pure nickel powders were milled for 2, 5, 20, and 40 h to clarify the microstructural variations for this metal with FCC atomic structure. By using the Williamson-Hall and Warren-Averbach methods and their modifications, crystallite size, microstrain, dislocation density, and character of dislocation were extracted. It was obtained that the fraction of edge-type dislocation decreased with milling time (above 50%), while after prolonged milling, the fraction of screw-type dislocations decreased, so that 50%-edge-to 50%-screw ratio was obtained. It was also found that the values of the crystallite size obtained from classical Warren-Averbach and modified Warren-Averbach (area-average) were closed.

  7. X-ray powder diffraction at the XRD1 beamline at LNLS.

    Science.gov (United States)

    Carvalho, A M G; Araújo, D H C; Canova, H F; Rodella, C B; Barrett, D H; Cuffini, S L; Costa, R N; Nunes, R S

    2016-11-01

    Various upgrades have been completed at the XRD1 beamline at the Brazilian synchrotron light source (LNLS). The upgrades are comprehensive, with changes to both hardware and software, now allowing users of the beamline to conduct X-ray powder diffraction experiments with faster data acquisition times and improved quality. The main beamline parameters and the results obtained for different standards are presented, showing the beamline ability of performing high-quality experiments in transmission geometry. XRD1 operates in the 5.5-14 keV range and has a photon flux of 7.8 × 109 photons s-1 (with 100 mA) at 12 keV, which is one of the typical working energies. At 8 keV (the other typical working energy) the photon flux at the sample position is 3.4 × 1010 photons s-1 and the energy resolution ΔE/E = 3 × 10-4.

  8. FTIR spectroscopy and X-ray powder diffraction characterization of microcrystalline cellulose obtained from alfa fibers

    Directory of Open Access Journals (Sweden)

    Trache D.

    2013-07-01

    Full Text Available Many cereal straws have been used as raw materials for the preparation of microcrystalline cellulose (MCC. These raw materials were gradually replaced with wood products; nevertheless about 10% of the world overall pulp production is obtained from non-wood raw material. The main interest in pulp made from straw is that it provides excellent fibres for different industries with special properties, and that it is the major available source of fibrous raw material in some geographical areas. The aim of the present work was to characterize microcrystalline cellulose prepared from alfa fibers using the hydrolysis process. The products obtained are characterized with FTIR spectroscopy and X-ray powder diffraction. As a result, FTIR spectroscopy is an appropriate technique for studying changes occurred by any chemical treatment. The spectrum of alfa grass stems shows the presence of lignin and hemicelluloses. However, the cellulose spectrum indicates that the extraction of lignin and hemicellulose was effective. The X-ray analysis indicates that the microcrystalline cellulose is more crystalline than the source material.

  9. X-Ray Powder Diffraction Study of Synthetic Palmierite, K{sub 2}Pb(SO{sub 4}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    TISSOT JR.,RALPH G.; RODRIGUEZ,MARK A.; SIPOLA,DIANA L.; VOIGT,JAMES A.

    2000-12-19

    Palmierite (K{sub 2}Pb(SO{sub 4}){sub 2}) has been prepared via a chemical synthesis method. Intensity differences were observed when X-ray powder data from the newly synthesized compound were compared to the published powder diffraction card (PDF) 29-1015 for Palmierite. Investigation of these differences indicated the possibility of preferred orientation and/or chemical inhomogeneity affecting intensities, particularly those of the basal (00{ell}) reflections. Annealing of the Palmierite was found to reduce the effects of preferred orientation. Electron microprobe analysis confirmed K:Pb:S as 2:1:2 for the annealed Palmierite powder. Subsequent least-squares refinement and Rietveld analysis of the annealed powder showed peak intensities very close to that of a calculated Palmierite pattern (based on single crystal data), yet substantially higher than many of the PDF 29-1015 published intensities. Further investigation of peak intensity variation via calculated patterns suggested that the intensity discrepancies between the annealed sample and those found in PDF 29-1015 were potentially due to chemical variation in the K{sub 2}Pb(SO{sub 4}){sub 2} composition. X-ray powder diffraction and crystal data for Palmierite are reported for the annealed sample. Palmierite is Trigonal/Hexagonal with unit cell parameters a = 5.497(1){angstrom}, c = 20.864(2) {angstrom}, space group R-3m (166), and Z = 3.

  10. Sample Handling System for in-situ Powder X-ray Diffraction Instruments. Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed innovation is a Powder Handling System (PHS) that will deliver powdered samples to in situ planetary XRD instruments and provide unique means of...

  11. High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP–oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution

    Directory of Open Access Journals (Sweden)

    E. I. Howard

    2016-03-01

    Full Text Available Crystal diffraction data of heart fatty acid binding protein (H-FABP in complex with oleic acid were measured at room temperature with high-resolution X-ray and neutron protein crystallography (0.98 and 1.90 Å resolution, respectively. These data provided very detailed information about the cluster of water molecules and the bound oleic acid in the H-FABP large internal cavity. The jointly refined X-ray/neutron structure of H-FABP was complemented by a transferred multipolar electron-density distribution using the parameters of the ELMAMII library. The resulting electron density allowed a precise determination of the electrostatic potential in the fatty acid (FA binding pocket. Bader's quantum theory of atoms in molecules was then used to study interactions involving the internal water molecules, the FA and the protein. This approach showed H...H contacts of the FA with highly conserved hydrophobic residues known to play a role in the stabilization of long-chain FAs in the binding cavity. The determination of water hydrogen (deuterium positions allowed the analysis of the orientation and electrostatic properties of the water molecules in the very ordered cluster. As a result, a significant alignment of the permanent dipoles of the water molecules with the protein electrostatic field was observed. This can be related to the dielectric properties of hydration layers around proteins, where the shielding of electrostatic interactions depends directly on the rotational degrees of freedom of the water molecules in the interface.

  12. Electron density distribution and Madelung potential in alpha-spodumene, LiAl(SiO3)2, from two-wavelength high-resolution X-ray diffraction data.

    Science.gov (United States)

    Kuntzinger; Ghermani

    1999-06-01

    The electron density distribution in alpha-spodumene, LiAl(SiO(3))(2), was derived from high-resolution X-ray diffraction experiments. The results obtained from both Mo Kalpha- and Ag Kalpha-wavelength data sets are reported. The features of the Si-O and Al-O bonds are related to the geometrical parameters of the Si-O-Al and Si-O-Si bridges on the one hand and to the O.Li(+) interaction on the other. Kappa refinements against the two data sets yielded almost the same net charges for the Si (+1.8 e) and O (-1.0 e) atoms in spodumene. However, the Al net charge obtained from the Ag Kalpha data (+1.9 e) is larger than the net charge derived from the Mo Kalpha data (+1.5 e). This difference correlates with a more contracted Al valence shell revealed by the shorter X-ray wavelength (kappa = 1.4 for the Ag Kalpha data set). The derived net charges were used to calculate the Madelung potential at the spodumene atomic sites. The electrostatic energy for the chemical formula LiAl(SiO(3))(2) was -8.60 e(2) Å(-1) (-123.84 eV) from the net charges derived from the Ag Kalpha data and -6.97 e(2) Å(-1) (-100.37 eV) from the net charges derived from the Mo Kalpha data.

  13. In-situ early-age hydration study of sulfobelite cements by synchrotron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Álvarez-Pinazo, G.; Cuesta, A.; García-Maté, M.; Santacruz, I.; Losilla, E.R. [Departamento de Química Inorgánica, Universidad de Málaga, Campus Teatinos S/N., 29071 Málaga (Spain); Sanfélix, S.G. [Unidad Técnica de Investigación de Materiales, AIDICO, Avda. Benjamín Franklin, 17 Paterna, Valencia (Spain); Fauth, F. [CELLS-Alba synchrotron, Carretera BP 1413, Km. 3.3, E-08290 Cerdanyola, Barcelona (Spain); Aranda, M.A.G. [Departamento de Química Inorgánica, Universidad de Málaga, Campus Teatinos S/N., 29071 Málaga (Spain); CELLS-Alba synchrotron, Carretera BP 1413, Km. 3.3, E-08290 Cerdanyola, Barcelona (Spain); De la Torre, A.G., E-mail: mgd@uma.es [Departamento de Química Inorgánica, Universidad de Málaga, Campus Teatinos S/N., 29071 Málaga (Spain)

    2014-02-15

    Eco-friendly belite calcium sulfoaluminate (BCSA) cement hydration behavior is not yet well understood. Here, we report an in-situ synchrotron X-ray powder diffraction study for the first hours of hydration of BCSA cements. Rietveld quantitative phase analysis has been used to establish the degree of reaction (α). The hydration of a mixture of ye'elimite and gypsum revealed that ettringite formation (α ∼ 70% at 50 h) is limited by ye'elimite dissolution. Two laboratory-prepared BCSA cements were also studied: non-active-BCSA and active-BCSA cements, with β- and α′{sub H}-belite as main phases, respectively. Ye'elimite, in the non-active-BCSA system, dissolves at higher pace (α ∼ 25% at 1 h) than in the active-BCSA one (α ∼ 10% at 1 h), with differences in the crystallization of ettringite (α ∼ 30% and α ∼ 5%, respectively). This behavior has strongly affected subsequent belite and ferrite reactivities, yielding stratlingite and other layered phases in non-active-BCSA. The dissolution and crystallization processes are reported and discussed in detail. -- Highlights: •Belite calcium sulfoaluminate cements early hydration mechanism has been determined. •Belite hydration strongly depends on availability of aluminum hydroxide. •Orthorhombic ye’elimite dissolved at a higher pace than cubic one. •Ye’elimite larger reaction degree yields stratlingite formation by belite reaction. •Rietveld method quantified gypsum, anhydrite and bassanite dissolution rates.

  14. Anomalous Thermal Expansion of HoCo0.5Cr0.5O3 Probed by X-ray Synchrotron Powder Diffraction

    Science.gov (United States)

    Hreb, Vasyl; Vasylechko, Leonid; Mykhalichko, Vitaliya; Prots, Yurii

    2017-07-01

    Mixed holmium cobaltite-chromite HoCo0.5Cr0.5O3 with orthorhombic perovskite structure (structure type GdFeO3, space group Pbnm) was obtained by solid state reaction of corresponding oxides in air at 1373 K. Room- and high-temperature structural parameters were derived from high-resolution X-ray synchrotron powder diffraction data collected in situ in the temperature range of 300-1140 K. Analysis of the results obtained revealed anomalous thermal expansion of HoCo0.5Cr0.5O3, which is reflected in a sigmoidal temperature dependence of the unit cell parameters and in abnormal increase of the thermal expansion coefficients with a broad maxima near 900 K. Pronounced anomalies are also observed for interatomic distances and angles within Co/CrO6 octahedra, tilt angles of octahedra and atomic displacement parameters. The observed anomalies are associated with the changes of spin state of Co3+ ions and insulator-metal transition occurring in HoCo0.5Cr0.5O3.

  15. Application of combined multivariate techniques for the description of time-resolved powder X-ray diffraction data

    Czech Academy of Sciences Publication Activity Database

    Taris, A.; Grosso, M.; Brundu, M.; Guida, V.; Viani, Alberto

    2017-01-01

    Roč. 50, č. 2 (2017), s. 451-461 ISSN 1600-5767 R&D Projects: GA MŠk(CZ) LO1219 Keywords : in situ X-ray powder diffraction * amorphous content * chemically bonded ceramics * statistical total correlation spectroscopy * multivariate curve resolution Subject RIV: JJ - Other Materials Impact factor: 2.495, year: 2016 http://journals.iucr.org/j/issues/2017/02/00/ap5006/index.html

  16. Ultra high resolution tomography

    Energy Technology Data Exchange (ETDEWEB)

    Haddad, W.S.

    1994-11-15

    Recent work and results on ultra high resolution three dimensional imaging with soft x-rays will be presented. This work is aimed at determining microscopic three dimensional structure of biological and material specimens. Three dimensional reconstructed images of a microscopic test object will be presented; the reconstruction has a resolution on the order of 1000 A in all three dimensions. Preliminary work with biological samples will also be shown, and the experimental and numerical methods used will be discussed.

  17. Crystal Structure of 17α-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory

    Directory of Open Access Journals (Sweden)

    James A. Kaduk

    2017-07-01

    Full Text Available The crystal structure of 17α-dihydroequilin has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. 17α-dihydroequilin crystallizes in space group P212121 (#19 with a = 6.76849(1 Å, b = 8.96849(1 Å, c = 23.39031(5 Å, V = 1419.915(3 Å3, and Z = 4. Both hydroxyl groups form hydrogen bonds to each other, resulting in zig-zag chains along the b-axis. The powder diffraction pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ as the entry 00-066-1608.

  18. Crystal Structure of 17α-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory

    Energy Technology Data Exchange (ETDEWEB)

    Kaduk, James; Gindhart, Amy; Blanton, Thomas

    2017-07-01

    The crystal structure of 17α-dihydroequilin has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. 17α-dihydroequilin crystallizes in space group P212121 (#19) with a = 6.76849(1) Å, b = 8.96849(1) Å, c = 23.39031(5) Å, V = 1419.915(3) Å3, and Z = 4. Both hydroxyl groups form hydrogen bonds to each other, resulting in zig-zag chains along the b-axis. The powder diffraction pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ as the entry 00-066-1608.

  19. Examination of Short- and Long-Range Atomic Order Nanocrystalline SiC and Diamond by Powder Diffraction Methods

    Science.gov (United States)

    Palosz, B.; Grzanka, E.; Stelmakh, S.; Gierlotka, S.; Weber, H.-P.; Proffen, T.; Palosz, W.

    2002-01-01

    The real atomic structure of nanocrystals determines unique, key properties of the materials. Determination of the structure presents a challenge due to inherent limitations of standard powder diffraction techniques when applied to nanocrystals. Alternate methodology of the structural analysis of nanocrystals (several nanometers in size) based on Bragg-like scattering and called the "apparent lattice parameter" (alp) is proposed. Application of the alp methodology to examination of the core-shell model of nanocrystals will be presented. The results of application of the alp method to structural analysis of several nanopowders were complemented by those obtained by determination of the Atomic Pair Distribution Function, PDF. Based on synchrotron and neutron diffraction data measured in a large diffraction vector of up to Q = 25 Angstroms(exp -1), the surface stresses in nanocrystalline diamond and SiC were evaluated.

  20. Structural studies of lithium zinc borohydride by neutron powder diffraction, Raman and NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ravnsbaek, D.B. [Center for Materials Crystallography (CMC), Interdisciplinary Nanoscience Center (iNANO), Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C (Denmark); Frommen, C. [Institute for Energy Technology, P.O. Box 40, N-2027 Kjeller (Norway); Reed, D. [School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom); Filinchuk, Y. [Center for Materials Crystallography (CMC), Interdisciplinary Nanoscience Center (iNANO), Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C (Denmark); Swiss-Norwegian Beam Lines at ESRF, BP-220, 38043 Grenoble (France); Institute of Condensed Matter and Nanosciences, Universite Catholique de Louvain, 1 Place L. Pasteur, B-1348, Louvain-la-Neuve (Belgium); Sorby, M.; Hauback, B.C. [Institute for Energy Technology, P.O. Box 40, N-2027 Kjeller (Norway); Jakobsen, H.J. [Instrument Centre for Solid-State NMR Spectroscopy and Interdisciplinary Nanoscience Center (iNANO), Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C (Denmark); Book, D. [School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom); Besenbacher, F. [Interdisciplinary Nanoscience Center (iNANO) and Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Skibsted, J. [Instrument Centre for Solid-State NMR Spectroscopy and Interdisciplinary Nanoscience Center (iNANO), Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C (Denmark); Jensen, T.R., E-mail: trj@chem.au.dk [Center for Materials Crystallography (CMC), Interdisciplinary Nanoscience Center (iNANO), Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C (Denmark)

    2011-09-15

    Research highlights: > Structural study of the first interpenetrated framework hydride, LiZn{sub 2}(BH{sub 4}){sub 5} > Determination of deuterium positions and revision of crystal structure by PND. > Raman spectroscopy confirms the presence of isolated [Zn{sub 2}(BD{sub 4}){sub 5}]-bar complex anions. > Determination of quadrupole coupling parameters and chemical shifts by {sup 11}B MAS NMR. - Abstract: The crystal structure of LiZn{sub 2}(BH{sub 4}){sub 5} is studied in detail using a combination of powder neutron diffraction (PND), Raman spectroscopy, and {sup 11}B MAS NMR spectroscopy on LiZn{sub 2}(BH{sub 4}){sub 5} and LiZn{sub 2}({sup 11}BD{sub 4}){sub 5}. The aim is to obtain detailed structural knowledge of the first interpenetrated framework hydride compound, LiZn{sub 2}(BD{sub 4}){sub 5} which consists of doubly interpenetrated 3D frameworks built from dinuclear complex ions [Zn{sub 2}(BD{sub 4}){sub 5}]{sup -} and lithium ions. The positions of the deuterium atoms are determined using Rietveld refinement of the PND data and the orientation of one of the four independent BD{sub 4}{sup -} groups is revised. The current data reveal that the structure of [Zn{sub 2}(BD{sub 4}){sub 5}]{sup -} is more regular than previously reported, as are also the coordinations around the Zn and Li atoms. Both Zn and Li atoms are found to coordinate to the BD{sub 4}{sup -} units via the tetrahedral edges. Some distortion of the angles within the BD{sub 4} units is observed, relative to the expected angles of 109.4 for the ideal tetrahedral coordination. Raman spectroscopy confirms bending and stretching modes from the expected terminal and bridging bidentate BH{sub 4}{sup -} and BD{sub 4}{sup -} units. The {sup 11}B MAS NMR spectrum of the satellite transitions resolves two distinct manifolds of spinning sidebands, which allows estimation of the {sup 11}B quadrupole coupling parameters and isotropic chemical shifts for the four distinct {sup 11}B sites of [Zn{sub 2}(BD

  1. A comparison between different X-ray diffraction line broadening analysis methods for nanocrystalline ball-milled FCC powders

    Energy Technology Data Exchange (ETDEWEB)

    Soleimanian, V. [Shahrekord University, Department of Physics, Faculty of Sciences, P.O. Box 115, Shahrekord (Iran, Islamic Republic of); Shahrekord University, Nanotechnology Research Center, Shahrekord (Iran, Islamic Republic of); Mojtahedi, M. [Pooya Gharb Branch of University of Applied Science and Technology, Department of Materials Engineering, Kermanshah (Iran, Islamic Republic of)

    2015-06-15

    The microstructural characteristics of aluminum, copper and nickel powders are investigated using different X-ray diffraction line broadening analysis approaches. Prior to analysis, the powders were ball-milled to produce a nanocrystalline structure with high density of probable types of lattice defects. A variety of methods, including Scherrer, Williamson-Smallman, Williamson-Hall, Warren-Averbach, modified Williamson-Hall, modified Warren-Averbach, Rietveld refinement and whole powder pattern modeling (WPPM) approaches are applied. In this way, microstructural characteristics such as crystallite size, microstrain, dislocation density, effective outer cut-off radius of dislocations and the probability of twining and stacking faults are calculated. On the other hand, the results of conventional and advanced line broadening analysis methods are compared. It is revealed that the density of linear and planar defects in the mechanically deformed aluminum powder is significantly smaller than that of copper and nickel, as well as the level of anisotropic strain broadening. Moreover, the WPPM procedure provided a better profile fitting with more accurate results. (orig.)

  2. Structural studies of carbon nanotubes by powder x-ray diffraction at SPring-8 and KEK PF

    CERN Document Server

    Maniwa, Y; Fujiwara, A

    2003-01-01

    Powder X-ray diffraction (XRD) studies on carbon nanotubes (CNTs) using synchrotron radiation are reported. In spite of the observed broad XRD peak profiles of two-dimensional triangular (hexagonal) lattice of single-wall carbon nanotubes (SWNTs), it was shown that useful structural information, such as the tube diameter and its distribution, can be deduced from detailed analysis of the characteristic XRD patterns. In particular, powder-XRD measurements were performed to study the phase transition of encapsulated materials inside SWNTs. In the C sub 7 sub 0 -one dimensional (1D) crystals formed inside SWNTs, importance of one-dimensionality in the C sub 7 sub 0 -molecular dynamics was suggested. It was also shown that water inside SWNTs undergoes a phase transition from liquid to an ice-nanotube structure below -38degC. Conversion process from SWNT to double-wall carbon nanotube (DWNT) was also studied by XRD.

  3. Baromagnetic Effect in Antiperovskite Mn3 Ga0.95 N0.94 by Neutron Powder Diffraction Analysis.

    Science.gov (United States)

    Shi, Kewen; Sun, Ying; Yan, Jun; Deng, Sihao; Wang, Lei; Wu, Hui; Hu, Pengwei; Lu, Huiqing; Malik, Muhammad Imran; Huang, Qingzhen; Wang, Cong

    2016-05-01

    A baromagnetic effect in a novel tetragonal magnetic structure is introduced by vacancies in Mn3 Ga0.95 N0.94 , due to the change of the Mn-Mn distance and their spin re-orientation induced by a pressure field. This effect is proven for the first time in antiperovskite compounds by neutron powder diffraction analysis. This feature will enable wide applications in magnetoelectric devices and intelligent instruments. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. High-pressure and high-temperature powder diffraction on molybdenum diphosphide, MoP{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Soto, V. [Centro de Investigacion Cientifica y de Educacion Superior de Ensenada, Esenada (Mexico); Knorr, K.; Ehm, L. [Christian-Albrechts-Univ. zu Kiel, Inst. fuer Geowissenschaften, Mineralogie/Kristallographie, Kiel (Germany); Baehtz, C. [HASYLAB Hamburg and TU Darmstadt, Materialwissenschaften, Darmstadt (Germany); Winkler, B. [Johann-Wolfgang-Goethe Univ. Frankfurt-Main, Mineralogie, Frankfurt/M. (Germany); Avalos-Borja, M. [Centro de Ciencias de la Materia Condensada, Univ. Nacional Autonoma de Mexico, Ensenada, BC (Mexico)

    2004-07-01

    The isothermal compressibility and bulk thermal expansion of molybdenum diphosphide, MoP{sub 2}, were measured by in-situ X-ray powder diffraction from ambient conditions to 6.8 GPa and 839 K, respectively. A small anisotropy of the compressibilities in MoP{sub 2} appears to be governed by non-bonding interactions in this layer-like material. The thermal expansion data are compared to molybdenum phosphide, MoP, which was measured to 1262 K. (orig.)

  5. Comparison of crystallite shapes in four different varieties of cotton fibers using X-ray powder diffraction data

    Science.gov (United States)

    Manju, V. V.; Divakara, S.; Somashekhar, R.

    2017-05-01

    Four different varieties of cotton fibers were obtained from farmers and used after cleaning the fibers physically. X-ray powder diffraction data for these fibers was obtained using imaging plate system (Dip-3200) with dimension 440 × 240 mm2. With the available software, scanning was carried out along the equator to obtain Intensity versus two-theta after correcting for instrumental broadening and Lorentz polarization factors. Using peak-fit program, 12 Bragg reflections were identified and FWHM of these (hkl) reflections, were used to estimate the crystallite size and strain along [hkl] directions. From these data we have suggested a novel method to compute crystallite shape in these cotton fibers.

  6. Crystal structure of anhydrous tripotassium citrate from laboratory X-ray powder diffraction data and DFT comparison

    Directory of Open Access Journals (Sweden)

    Alagappa Rammohan

    2016-08-01

    Full Text Available The crystal structure of anhydrous tripotassium citrate, [K3(C6H5O7]n, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The three unique potassium cations are 6-, 8-, and 6-coordinate (all irregular. The [KOn] coordination polyhedra share edges and corners to form a three-dimensional framework, with channels running parallel to the c axis. The only hydrogen bond is an intramolecular one involving the hydroxy group and the central carboxylate group, with graph-set motif S(5.

  7. Ammonium azide: a commented example of an Ab initio structure (Re-) determination from X-ray powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Salim de Amorim, H.; Amaral, M.R. do [Instituto de Fisica, Universidade Federal do Rio de Janeiro, CP 68528, 21495-970 Rio de Janeiro (Brazil); Pattison, P. [Institute of Crystallography, BSP, University of Laussane, CH-1015, Laussane (Switzerland); Pereira L, I.; Mendes, J.C. [Departamento de Geologia, Universidade Federal do Rio de Janeiro, 21949-900, Rio de Janeiro (Brazil)

    2002-07-01

    The structure of ammonium azide (NH{sub 4})N{sub 3} was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A{sup 3}; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

  8. Definitive Mineralogy of Rocky and Icy Planets and Planetesimals Using Powder X-Ray Diffraction

    Science.gov (United States)

    Blake, D. F.; Sarrazin, P.

    2017-02-01

    X-ray diffraction is a definitive technique for mineral identification, quantification, and composition. Definitive mineralogical analysis can identify modern and ancient habitable environments and provide context for other measurements.

  9. Powder Handling Device for X-ray Diffraction Analysis with Minimal Sample Preparation Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This project consists of developing a Vibrating Sample Holder (VSH) for planetary X-Ray Diffraction (XRD) instruments. The principle of this novel sample handling...

  10. Structural analysis of lead magnesium niobate using synchrotron powder X-ray diffraction and the Rietveld method.

    Science.gov (United States)

    Bhakar, Ashok; Pandey, Adityanarayan H; Singh, M N; Upadhyay, Anuj; Sinha, A K; Gupta, S M; Ganguli, Tapas

    2016-06-01

    The room-temperature synchrotron powder X-ray diffraction pattern of the single phase perovskite lead magnesium niobate (PMN) has shown significant broadening in the q range ∼ 5-7 Å(-1) compared with standard LaB6 synchrotron powder X-ray diffraction data, taken under similar conditions. This broadening/asymmetry lies mainly towards the lower 2θ side of the Bragg peaks. Attempts to fit this data with the paraelectric cubic phase (Pm\\bar 3m) and the local rhombohedral phase (R3m) corresponding to polar nanoregions (PNRs) are made using the Rietveld method. Rietveld refinements show that neither cubic (Pm\\bar 3m) nor rhombohedral (R3m) symmetry can fit this XRD pattern satisfactorily. The two-phase refinement fits the experimental data satisfactorily and suggests that the weight percentage of the PNRs is approximately 12-16% at room temperature. The unit-cell volume of these rhombohedral PNRs is approximately 0.15% larger than that of the unit cell volume of the paraelectric cubic phase.

  11. Real-time monitoring of laser powder bed fusion process using high-speed X-ray imaging and diffraction.

    Science.gov (United States)

    Zhao, Cang; Fezzaa, Kamel; Cunningham, Ross W; Wen, Haidan; De Carlo, Francesco; Chen, Lianyi; Rollett, Anthony D; Sun, Tao

    2017-06-15

    We employ the high-speed synchrotron hard X-ray imaging and diffraction techniques to monitor the laser powder bed fusion (LPBF) process of Ti-6Al-4V in situ and in real time. We demonstrate that many scientifically and technologically significant phenomena in LPBF, including melt pool dynamics, powder ejection, rapid solidification, and phase transformation, can be probed with unprecedented spatial and temporal resolutions. In particular, the keyhole pore formation is experimentally revealed with high spatial and temporal resolutions. The solidification rate is quantitatively measured, and the slowly decrease in solidification rate during the relatively steady state could be a manifestation of the recalescence phenomenon. The high-speed diffraction enables a reasonable estimation of the cooling rate and phase transformation rate, and the diffusionless transformation from β to α ' phase is evident. The data present here will facilitate the understanding of dynamics and kinetics in metal LPBF process, and the experiment platform established will undoubtedly become a new paradigm for future research and development of metal additive manufacturing.

  12. Development of Powder Diffraction Analysis Tools for aNanocrystalline Specimen: An Emphasis upon NiTi (Nitinol)

    Energy Technology Data Exchange (ETDEWEB)

    Owens, Erich; /Albion Coll. /SLAC

    2006-08-30

    Powder diffraction is a specialized technique whose investigatory limits are constrained by the scale of the crystallized substance being scanned versus the probe beam used. When disparate in scale, with the photon spot size larger than the crystal being probed, many are employed, the resulting diffraction image being cast from all possible incident angles, constructing {chi}-arcs containing information about the crystalline structure of the material under examination. Of particular interest to our collaboration is the structure of Nitinol, a superelastic Nickel-Titanium alloy, whose phase transformations and load bearing deformations can be studied by usage of diffraction, with wide sweeping biomedical uses. Analysis of this data is complicated by phase transformation and material fluorescence, which make difficult the computational modeling of the peaks within concentric {chi}-arcs. We endeavored to construct a series of computational tools (the amalgamation of them known as 2DPeakFinder) for refining and extracting this relevant data, toward the end of employing previously developed algorithms in the material's structural analysis. We succeeded to a large degree with the use of an iterative algorithm to navigate radial complexity of the signal and manage to retain a distinction between useful signal and superfluous background noise. The tools developed in this project are a small step in readily streamlining the analysis and physical modeling of a Nanocrystalline material's structural properties.

  13. Temperature- and moisture-dependent studies on alunogen and the crystal structure of meta-alunogen determined from laboratory powder diffraction data

    Science.gov (United States)

    Kahlenberg, Volker; Braun, Doris E.; Krüger, Hannes; Schmidmair, Daniela; Orlova, Maria

    2017-02-01

    Starting from a synthetic sample with composition Al2(SO4)3·16.6H2O, the high-temperature- and moisture-dependent behavior of alunogen has been unraveled by TGA measurements, in situ powder X-ray diffraction as well as by gravimetric moisture sorption/desorption studies. Heating experiments using the different techniques show that alunogen undergoes a first dehydration process already starting at temperatures slightly above 40 °C. The crystalline product of the temperature-induced dehydration corresponds to the synthetic equivalent of meta-alunogen and has the following chemical composition: Al2(SO4)3·13.8H2O or Al2(SO4)3(H2O)12·1.8H2O. At 90 °C a further reaction can be monitored resulting in the formation of an X-ray amorphous material. The sequence of "amorphous humps" in the patterns persists up to 250 °C, where a re-crystallization process is indicated by a sudden appearance of a larger number of sharp Bragg peaks. Phase analysis confirmed this compound to be anhydrous Al2(SO4)3. Furthermore, meta-alunogen can be also obtained from alunogen at room temperature when stored at relative humidities (RH) lower than 20 %. The transformation is reversible, however, water sorption of meta-alunogen to alunogen and the corresponding desorption reaction show considerable hysteresis. For RH values above 80 %, deliquescence of the material was observed. Structural investigations on meta-alunogen were performed using a sample that has been stored at dry conditions (0 % RH) over phosphorus pentoxide. Powder diffraction data were acquired on an in-house high-resolution diffractometer in transmission mode using a sealed glass capillary as sample holder. Indexing resulted in a triclinic unit cell with the following lattice parameters: a = 14.353(6) Å, b = 12.490(6) Å, c = 6.092(3) Å, α = 92.656(1)°, β = 96.654(1)°, γ = 100.831(1)°, V = 1062.8(8) Å3 and Z = 2. These data correct earlier findings suggesting an orthorhombic cell. Ab-initio structure solution in

  14. Temperature- and moisture-dependent studies on alunogen and the crystal structure of meta-alunogen determined from laboratory powder diffraction data.

    Science.gov (United States)

    Kahlenberg, Volker; Braun, Doris E; Krüger, Hannes; Schmidmair, Daniela; Orlova, Maria

    2017-01-01

    Starting from a synthetic sample with composition Al2(SO4)3·16.6H2O, the high-temperature- and moisture-dependent behavior of alunogen has been unraveled by TGA measurements, in situ powder X-ray diffraction as well as by gravimetric moisture sorption/desorption studies. Heating experiments using the different techniques show that alunogen undergoes a first dehydration process already starting at temperatures slightly above 40 °C. The crystalline product of the temperature-induced dehydration corresponds to the synthetic equivalent of meta-alunogen and has the following chemical composition: Al2(SO4)3·13.8H2O or Al2(SO4)3(H2O)12·1.8H2O. At 90 °C a further reaction can be monitored resulting in the formation of an X-ray amorphous material. The sequence of "amorphous humps" in the patterns persists up to 250 °C, where a re-crystallization process is indicated by a sudden appearance of a larger number of sharp Bragg peaks. Phase analysis confirmed this compound to be anhydrous Al2(SO4)3. Furthermore, meta-alunogen can be also obtained from alunogen at room temperature when stored at relative humidities (RH) lower than 20 %. The transformation is reversible, however, water sorption of meta-alunogen to alunogen and the corresponding desorption reaction show considerable hysteresis. For RH values above 80 %, deliquescence of the material was observed. Structural investigations on meta-alunogen were performed using a sample that has been stored at dry conditions (0 % RH) over phosphorus pentoxide. Powder diffraction data were acquired on an in-house high-resolution diffractometer in transmission mode using a sealed glass capillary as sample holder. Indexing resulted in a triclinic unit cell with the following lattice parameters: a = 14.353(6) Å, b = 12.490(6) Å, c = 6.092(3) Å, α = 92.656(1)°, β = 96.654(1)°, γ = 100.831(1)°, V = 1062.8(8) Å(3) and Z = 2. These data correct earlier findings suggesting an orthorhombic cell. Ab

  15. Structure Refinement of (Sr,BaNb2O6 Ceramic Powder from Neutron and X-Rays Diffraction Data

    Directory of Open Access Journals (Sweden)

    J.G. Carrio

    2002-03-01

    Full Text Available The structure of polycrystalline strontium barium niobate at room temperature was refined by the Rietveld method. Sintered ceramic samples were used to collect powder neutron and X-ray diffraction data. The ratio Sr/Ba ~ 64/36 was found from the initial batch composition Sr0.61Ba0.39Nb2O6, corroborating with the quantitative X-ray dispersive spectroscopy (EDS measurements. The structure is tetragonal with cell parameters a, b = 12.4504(3 Å and c = 3.9325(1 Å and space group P4bm. It was not necessary to introduce any positional disorder for the oxygen atoms. Cation Nb+5 displacements not parallel to the c direction are presented, which can influence the behavior of the ferroelectric properties.

  16. A flow cell for the study of gas-solid reactions via in situ powder X-ray diffraction

    Science.gov (United States)

    Scarlett, Nicola V. Y.; Hewish, Damien; Pattel, Rachel; Webster, Nathan A. S.

    2017-10-01

    This paper describes the development and testing of a novel capillary flow cell for use in in situ powder X-ray diffraction experiments. It is designed such that it achieves 200° of rotation of the capillary whilst still allowing the flow of gas through the sample and the monitoring of off gas via mass spectrometry, gas chromatography, or other such analytical techniques. This high degree of rotation provides more uniform heating of the sample than can be achieved in static cells or those with lower rotational ranges and consequently also improves particle statistics. The increased uniformity of heating provides more accurate temperature calibration of the experimental setup as well. The cell is designed to be held in a standard goniometer head and is therefore suitable for use in many laboratory and synchrotron instruments.

  17. Characterization of (1 1 1) surface tailored Pt nanoparticles by electrochemistry and X-ray powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Beyerlein, K.R., E-mail: ken.beyerlein@mse.gatech.edu [Georgia Institute of Technology, Materials Science and Engineering, Erskine Love Building, 771 Ferst Drive, Atlanta, GA 30332 (United States); University of Trento, Department of Materials Engineering and Industrial Technologies, via Mesiano, 77-38100 Trento (Italy); Solla-Gullon, J.; Herrero, E. [Instituto de Electroquimica, Universidad de Alicante, Apartado 99, 03080 Alicante (Spain); Garnier, E. [Instituto de Electroquimica, Universidad de Alicante, Apartado 99, 03080 Alicante (Spain); LECCO, Equipe Electrocatalyse, UMR CNRS No 6503, 40 Avenue du Recteur Pineau, 86022 Poitiers France (France); Pailloux, F. [LMP, UMR 6630 CNRS, SP2MI, Teleport 2, Boulevard M. et P. Curie, BP 30179, 86962 Futuroscope Chasseneuil (France); Leoni, M.; Scardi, P. [University of Trento, Department of Materials Engineering and Industrial Technologies, via Mesiano, 77-38100 Trento (Italy); Snyder, R.L. [Georgia Institute of Technology, Materials Science and Engineering, Erskine Love Building, 771 Ferst Drive, Atlanta, GA 30332 (United States); Aldaz, A.; Feliu, J.M. [Instituto de Electroquimica, Universidad de Alicante, Apartado 99, 03080 Alicante (Spain)

    2010-11-25

    Platinum nanoparticles with a mean size of 8.7 nm were synthesized by a salt reduction reaction having polyhedron shapes with preferential (1 1 1) surfaces. In situ electrochemical characterization of nanoparticles was performed which confirmed the existence of mostly (1 1 1) surface sites in the sample. The effect of this surface in the electrooxidation of CO was measured. Debye Function Analysis (DFA) and Whole Powder Pattern Modelling (WPPM) of the measured X-ray diffraction pattern were carried out to obtain statistical information on the particle size and shape present in the sample. Both analyses determined that the octahedron particle shape was the most abundant which was also consistent with TEM observations. The existence of a small percentage of single twinned particles was determined by DFA, WPPM, as well as analysis of HRTEM images.

  18. Abinitio powder x-ray diffraction and PIXEL energy calculations on thiophene derived 1,4 dihydropyridine

    Energy Technology Data Exchange (ETDEWEB)

    Karthikeyan, N., E-mail: karthin10@gmail.com; Sivakumar, K. [Department of Physics, College of Engineering, Guindy, Anna University, Chennai-600 025, Tamilnadu (India); Pachamuthu, M. P. [Assistant Professor of Chemistry, Bannari Amman Institute of Technology Sathyamangalam - 638401, Tamilnadu (India)

    2016-05-06

    We focus on the application of powder diffraction data to get abinitio crystal structure determination of thiophene derived 1,4 DHP prepared by cyclocondensation method using solid catalyst. Crystal structure of the compound has been solved by direct-space approach on Monte Carlo search in parallel tempering mode using FOX program. Initial atomic coordinates were derived using Gaussian 09W quantum chemistry software in semi-empirical approach and Rietveld refinement was carried out using GSAS program. The crystal structure of the compound is stabilized by one N-H…O and three C-H…O hydrogen bonds. PIXEL lattice energy calculation was carried out to understand the physical nature of intermolecular interactions in the crystal packing, on which the total lattice energy is contributed into Columbic, polarization, dispersion, and repulsion energies.

  19. Crystal structure of trirubidium citrate monohydrate from laboratory X-ray powder diffraction data and DFT comparison

    Directory of Open Access Journals (Sweden)

    Alagappa Rammohan

    2017-02-01

    Full Text Available The crystal structure of the title compound, 3Rb+·C6H5O73−·H2O, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The hydroxy group participates in an intramolecular hydrogen bond to the deprotonated central carboxylate group with graph-set motif S(5. The water molecule acts as a hydrogen-bond donor to both terminal and central carboxylate O atoms. The three independent rubidium cations are seven-, six- and six-coordinate, with bond-valence sums of 0.84, 1.02, and 0.95, respectively. In the extended structure, their polyhedra share edges and corners to form a three-dimensional network. The hydrophobic methylene groups occupy channels along the b axis.

  20. Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison

    Directory of Open Access Journals (Sweden)

    Alagappa Rammohan

    2017-01-01

    Full Text Available The crystal structure of dirubidium hydrogen citrate, 2Rb+·HC6H5O72−, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The un-ionized carboxylic acid group forms helical chains of very strong hydrogen bonds (O...O ∼ 2.42 Å along the b axis. The hydroxy group participates in a chain of intra- and intermolecular hydrogen bonds along the c axis. These hydrogen bonds result in corrugated hydrogen-bonded layers in the bc plane. The Rb+ cations are six-coordinate, and share edges and corners to form layers in the ab plane. The interlayer contacts are composed of the hydrophobic methylene groups.

  1. X-ray powder diffraction study of poly/carbon monofluoride/, CF/1.12/

    Science.gov (United States)

    Mahajan, V. K.; Badachhape, R. B.; Margrave, J. L.

    1974-01-01

    Data from X-ray diffraction studies of the poly(carbon monofluoride) with empirical formula CF(1.09-1.15) are reported, and possible intercalation arrangements for the substance are discussed. The data do not conform to true hexagonal symmetry, indicating that the carbon atoms are not coplanar. Each bond angle of carbon is 118.8 deg, and the carbon-carbon distance is 1.47 A. The interlayer distance is 5.76 A. A total absence of (hkl) reflections in the X-ray pattern shows that the separate CF layers are not regularly arranged with respect to one another.

  2. About some practical aspects of X-ray diffraction : From single crystal to powders

    Energy Technology Data Exchange (ETDEWEB)

    Giacovazzo, C. [Bari Univ. (Italy). Dip. Geomineralogico

    1996-09-01

    An ideal polycrystalline material or power is an ensemble of a very large number of randomly oriented crystallites. It is shown the effect that this random orientation has on the diffraction of a specimen assumed to contain only one reciprocal lattice node. The most remarkable difference with the single-crystal case is that now must think of scattering vectors not as lying on discrete nodes of reciprocal lattice vectors, the distances from the single-crystal reciprocal lattice nodes to the origin of reciprocal space.

  3. Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).

    Science.gov (United States)

    van de Streek, Jacco; Neumann, Marcus A

    2014-12-01

    In 2010 we energy-minimized 225 high-quality single-crystal (SX) structures with dispersion-corrected density functional theory (DFT-D) to establish a quantitative benchmark. For the current paper, 215 organic crystal structures determined from X-ray powder diffraction (XRPD) data and published in an IUCr journal were energy-minimized with DFT-D and compared to the SX benchmark. The on average slightly less accurate atomic coordinates of XRPD structures do lead to systematically higher root mean square Cartesian displacement (RMSCD) values upon energy minimization than for SX structures, but the RMSCD value is still a good indicator for the detection of structures that deserve a closer look. The upper RMSCD limit for a correct structure must be increased from 0.25 Å for SX structures to 0.35 Å for XRPD structures; the grey area must be extended from 0.30 to 0.40 Å. Based on the energy minimizations, three structures are re-refined to give more precise atomic coordinates. For six structures our calculations provide the missing positions for the H atoms, for five structures they provide corrected positions for some H atoms. Seven crystal structures showed a minor error for a non-H atom. For five structures the energy minimizations suggest a higher space-group symmetry. For the 225 SX structures, the only deviations observed upon energy minimization were three minor H-atom related issues. Preferred orientation is the most important cause of problems. A preferred-orientation correction is the only correction where the experimental data are modified to fit the model. We conclude that molecular crystal structures determined from powder diffraction data that are published in IUCr journals are of high quality, with less than 4% containing an error in a non-H atom.

  4. Preparation and Crystal Structures of Some AIVB2IIO4 Compounds: Powder X-Ray Diffraction and Rietveld Analysis

    Directory of Open Access Journals (Sweden)

    K. Jeyadheepan

    2014-01-01

    Full Text Available The AIVB2IIO4 compounds such as cadmium tin oxide (Cd2SnO4 or CTO and zinc tin oxide (Zn2SnO4 or ZTO are synthesized by solid state reaction of the subsequent binary oxides. The synthesized powders were analyzed through the powder X-ray diffraction (PXRD. Cell search done on the PXRD patterns shows that the Cd2SnO4 crystallizes in orthorhombic structure with space group Pbam and the cell parameters as a=5.568(2 Å, b=9.894(3 Å, and c=3.193(1 Å and the Zn2SnO4 crystallizes as cubic with the space group Fd3 -m and with the cell parameter a=8.660(2 Å. Rietveld refinement was done on the PXRD patterns to get the crystal structure of the Cd2SnO4 and Zn2SnO4 and to define the site deficiency of atoms which causes the electrical properties of the materials.

  5. Neutron powder thermo-diffraction in mechanically alloyed Fe{sub 64}Ni{sub 36} invar alloy

    Energy Technology Data Exchange (ETDEWEB)

    Gorria, Pedro, E-mail: pgorria@uniovi.e [Departamento de Fisica, Universidad de Oviedo, Avda. Calvo Sotelo s/n, Oviedo 33007, Asturias (Spain); Martinez-Blanco, David [Unidad de Magnetometria, SCT' s, Universidad de Oviedo, Julian Claveria 8, 33006 Oviedo (Spain); Blanco, Jesus A. [Departamento de Fisica, Universidad de Oviedo, Avda. Calvo Sotelo s/n, Oviedo 33007, Asturias (Spain); Smith, Ronald I. [ISIS Facility, RAL, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)

    2010-04-16

    Nanostructured Fe{sub 64}Ni{sub 36} alloy has been obtained using high-energy ball milling for 35 h of milling time, Fe{sub 64}Ni{sub 36} MA-35 h. The initial as-milled Fe{sub 64}Ni{sub 36} MA-35 h powders are inhomogeneous, showing a majority phase with a face-centred cubic (fcc) crystal structure [88(2)%] and a minority phase with body-centred cubic (bcc) crystal structure [7(2)%]. The evolution of the microstructure with temperature between 300 K and 1100 K has been followed by means of in situ neutron powder thermo-diffraction experiments. The room temperature values for the mean crystalline size and the mechanical-induced microstrain of the fcc phase in the as-milled sample are {approx}10 nm and {approx}0.7%, respectively. Moreover, after heating the Fe{sub 64}Ni{sub 36} MA-35 h powders up to 1100 K, an increase of around 65 K in the Curie temperature respect to that of the commercial coarse-grained alloy of the same composition is observed. The latter together with the observed temperature dependence of the lattice parameter suggests that the Fe{sub 64}Ni{sub 36} MA-35 h sample subjected to the heating process exhibits invar behaviour. On heating up to 1100 K thermal relaxation of the microstructure occurs giving rise to grain growth above 100 nm, nearly vanishing values for the maximum strain, and the transformation of the bcc phase into the fcc one above 800 K, being the latter stable in subsequent heating-cooling processes.

  6. Improved multivariate analysis for fast and selective monitoring of structural dynamics by in situ X-ray powder diffraction.

    Science.gov (United States)

    Guccione, Pietro; Palin, Luca; Milanesio, Marco; Belviso, Benny Danilo; Caliandro, Rocco

    2017-11-06

    The development of two solid-state reactions, Xe absorption into MFI and molecular complex formation, where samples are affected by changes of crystal lattice due to temperature or pressure variation was structurally monitored through in situ or in operando X-ray powder diffraction experiments. Consequent variations of the peak positions prevent collective analysis of measured patterns, aiming at investigating structural changes occurring within the crystal cell. Moreover, an intrinsic and variable error in peak position is unavoidable when using the Bragg-Brentano geometry and, in some cases (sticky, bulky, aggregate samples) the sample mounting can increase the error within a dataset. Here we present a general multivariate analysis method to process in a fast and automatic way in situ XRPD data collected on charge transfer complexes and porous materials, with the capacity of disentangling peak shifts from intensity and shape variations in diffraction signals, thus allowing an efficient separation of the contribution of crystal lattice changes from structural changes. The peak shift correction allowed an improved PCA analysis that turned out to be more sensible than the traditional single pattern Rietveld analysis. The developed algorithms allowed, with respect to the traditional approach, the location of two new Xe positions into MFI with a better interpretation of the experimental data, while a much faster and more efficient recovery of the reaction coordinate was achieved in the molecular complex formation reaction.

  7. Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations: Application to piroxicam form III.

    Science.gov (United States)

    Naelapää, Kaisa; van de Streek, Jacco; Rantanen, Jukka; Bond, Andrew D

    2012-11-01

    High-throughput crystallisation and characterisation platforms provide an efficient means to carry out solid-form screening during the pre-formulation phase. To determine the crystal structures of identified new solid phases, however, usually requires independent crystallisation trials to produce single crystals or bulk samples of sufficient quantity to carry out high-quality X-ray diffraction measurements. This process could be made more efficient by a robust procedure for crystal structure determination directly from high-throughput X-ray powder diffraction (XRPD) data. Quantum-chemical calculations based on dispersion-corrected density functional theory (DFT-D) have now become feasible for typical small organic molecules used as active pharmaceutical ingredients. We demonstrate how these calculations can be applied to complement high-throughput XRPD data by determining the crystal structure of piroxicam form III. These combined experimental/quantum-chemical methods can provide access to reliable structural information in the course of an intensive experimentally based solid-form screening activity or in other circumstances wherein single crystals might never be viable, for example, for polymorphs obtained only during high-energy processing such as spray drying or milling. Copyright © 2012 Wiley Periodicals, Inc.

  8. Frustrated magnetic structure of Y-substituted CePdAl studied by powder neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cermak, Petr; Javorsky, Pavel [Charles University, Faculty of Mathematics and Physics, Department of Condensed Matter Physics, Ke Karlovu 5, 121 16 Prague 2 (Czech Republic); Hofmann, Tommy, E-mail: cermak@mag.mff.cuni.cz [Helmholtz-Zentrum Berlin, Lise-Meitner Campus, Glienicker Str. 100, 14109 Berlin (Germany)

    2011-07-06

    CePdAl is a heavy-fermion antiferromagnet with T{sub N} = 2.7 K, crystallizing in the ZrNiAl-type structure. The magnetic structure is described by the propagation vector k = (1/2, 0, {tau}), {tau} = 0.35, with the cerium magnetic moments aligned along the c-axis. One third of magnetic moments remains disordered due to the geometrical frustration. Specific heat measurements on substituted Ce{sub 1-x}Y{sub x}PdAl compounds revealed strong reduction of T{sub N} with Y substitution and the antiferromagnetic order vanishes around x = 0.2. To investigate the microscopic details of the changes in the magnetic structure evoked by nonmagnetic ion substitution, we have performed an experiment on the powder neutron diffractometer E6 at HZB on the samples with x = 0.02, 0.06 and 0.1. Measurements showed the magnitude reduction of the ordered cerium moments with Y substitution while the propagation vector and other magnetic structure characteristics remain unchanged.

  9. The adsorption of methanol and water on SAPO-34: in situ and ex situ X-ray diffraction studies

    DEFF Research Database (Denmark)

    Wragg, David S.; Johnsen, Rune; Norby, Poul

    2010-01-01

    The adsorption of methanol on SAPO-34 has been studied using a combination of in situ synchrotron powder X-ray diffraction to follow the process and ex situ high resolution powder diffraction to determine the structure. The unit cell volume of SAPO-34 is found to expand by 0.5% during methanol ad...... for adsorbed water molecules on the same framework, supporting the observation from the in situ data that water is more strongly bound than methanol. The results are consistent with previous results from thermodynamic and tapered element oscillating microbalance measurements.......The adsorption of methanol on SAPO-34 has been studied using a combination of in situ synchrotron powder X-ray diffraction to follow the process and ex situ high resolution powder diffraction to determine the structure. The unit cell volume of SAPO-34 is found to expand by 0.5% during methanol...

  10. Polarized neutron powder diffraction studies of antiferromagnetic order in bulk and nanoparticle NiO

    DEFF Research Database (Denmark)

    Brok, Erik; Lefmann, Kim; Deen, Pascale P.

    2015-01-01

    NiO and platelet-shaped NiO nanoparticles with thickness from greater than 200 nm down to 2.0 nm. The advantage of the applied method is that it is able to clearly separate the structural, the magnetic, and the spin-incoherent scattering signals for all particle sizes. For platelet-shaped particles...... with thickness from greater than 200 nm down to 2.2 nm we find that the spin orientation deviates about 16° from the primary (111) plane of the platelet-shaped particles. In the smallest particles (2.0 nm thick) we find the spins are oriented with a 30° average angle to the primary (111) plane of the particles...... at the particle surfaces and by the broadening of diffraction peaks due to the finite crystallite size. Moreover, the spin structure in magnetic nanoparticles may deviate significantly from that of the corresponding bulk material because of the low-symmetry surroundings of surface atoms and the large relative...

  11. The determination of crystal structures of active pharmaceutical ingredients from X-ray powder diffraction data: a brief, practical introduction, with fexofenadine hydrochloride as example.

    Science.gov (United States)

    Brüning, Jürgen; Schmidt, Martin U

    2015-06-01

    This study describes the general method for the determination of the crystal structures of active pharmaceutical ingredients (API) from powder diffraction data and demonstrates its use to determine the hitherto unknown crystal structure of fexofenadine hydrochloride, a third-generation antihistamine drug. Fexofenadine hydrochloride was subjected to a series of crystallisation experiments using re-crystallisation from solvents, gas diffusion, layering with an antisolvent and gel crystallisation. Powder diffraction patterns of all samples were recorded and inspected for polymorphism and for crystallinity. All samples corresponded to the same polymorph. The crystal structure was determined from an X-ray powder diffraction pattern using a real-space method with subsequent Rietveld refinement. The structure exhibits a two-dimensional hydrogen bond network. Crystal structures of API can be determined from X-ray powder diffraction data with good reliability. Fexofenadine exhibits only one polymorphic form, which is stabilised in the crystal by strong hydrogen bonds of the type (+)N-H···Cl(-), O-H···Cl(-), and between COOH groups. © 2015 Royal Pharmaceutical Society.

  12. Dehydrogenation kinetics of pure and nickel-doped magnesium hydride investigated by in situ time-resolved powder X-ray diffraction

    DEFF Research Database (Denmark)

    Jensen, T.R.; Andreasen, A.; Vegge, Tejs

    2006-01-01

    The dehydrogenation kinetics of pure and nickel (Ni)-doped (2w/w%) magnesium hydride (MgH2) have been investigated by in situ time-resolved powder X-ray diffraction (PXD). Deactivated samples, i.e. air exposed, are investigated in order to focus on the effect of magnesium oxide (MgO) surface layers...

  13. Crystal engineering on industrial diaryl pigments using lattice energy minimizations and X-ray powder diffraction.

    Science.gov (United States)

    Schmidt, Martin U; Dinnebier, Robert E; Kalkhof, Holger

    2007-08-23

    Diaryl azo pigments play an important role as yellow pigments for printing inks, with an annual pigment production of more than 50,000 t. The crystal structures of Pigment Yellow 12 (PY12), Pigment Yellow 13 (PY13), Pigment Yellow 14 (PY14), and Pigment Yellow 83 (PY83) were determined from X-ray powder data using lattice energy minimizations and subsequent Rietveld refinements. Details of the lattice energy minimization procedure and of the development of a torsion potential for the biphenyl fragment are given. The Rietveld refinements were carried out using rigid bodies, or constraints. It was also possible to refine all atomic positions individually without any constraint or restraint, even for PY12 having 44 independent non-hydrogen atoms per asymmetric unit. For PY14 (23 independent non-hydrogen atoms), additionally all atomic isotropic temperature factors could be refined individually. PY12 crystallized in a herringbone arrangement with twisted biaryl fragments. PY13 and PY14 formed a layer structure of planar molecules. PY83 showed a herringbone structure with planar molecules. According to quantum mechanical calculations, the twisting of the biaryl fragment results in a lower color strength of the pigments, whereas changes in the substitution pattern have almost no influence on the color strength of a single molecule. Hence, the experimentally observed lower color strength of PY12 in comparison with that of PY13 and PY83 can be explained as a pure packing effect. Further lattice energy calculations explained that the four investigated pigments crystallize in three different structures because these structures are the energetically most favorable ones for each compound. For example, for PY13, PY14, or PY83, a PY12-analogous crystal structure would lead to considerably poorer lattice energies and lower densities. In contrast, lattice energy calculations revealed that PY12 could adopt a PY13-type structure with only slightly poorer energy. This structure was

  14. Structure of Calcium Aluminate Decahydrate (CaAl2O4.10D2O) from Neutron and X-ray Powder Diffraction Data

    Energy Technology Data Exchange (ETDEWEB)

    Christensen,A.; Lebech, B.; Sheptyakov, D.; Hanson, J.

    2007-01-01

    Calcium aluminate decahydrate is hexagonal with the space group P63/m and Z = 6. The compound has been named CaAl2O4{center_dot}10H2O (CAH10) for decades and is known as the product obtained by hydration of CaAl2O4 (CA) in the temperature region 273-288 K - one of the main components in high-alumina cements. The lattice constants depend on the water content. Several sample preparations were used in this investigation: one CAH10, three CAD10 and one CA(D/H)10, where the latter is a zero-matrix sample showing no coherent scattering contribution from the D/H atoms in a neutron diffraction powder pattern. The crystal structure including the positions of the H/D atoms was determined from analyses of four neutron diffraction powder patterns by means of the ab initio crystal structure determination program FOX and the FULLPROF crystal structure refinement program. Additionally, eight X-ray powder diffraction patterns (Cu K[alpha]1 and synchrotron X-rays) were used to establish phase purity. The analyses of these combined neutron and X-ray diffraction data clearly show that the previously published positions of the O atoms in the water molecules are in error. Thermogravimetric analysis of the CAD10 sample preparation used for the neutron diffraction studies gave the composition CaAl2(OD)8(D2O)2{center_dot}2.42D2O. Neutron and X-ray powder diffraction data gave the structural formula CaAl2(OX)8(X2O)2{center_dot}[gamma]X2O (X = D, H and D/H), where the [gamma] values are sample dependent and lie between 2.3 and 3.3.

  15. Analysis of an industrial production suspension of Bacillus lentus subtilisin crystals by powder diffraction: a powerful quality-control tool.

    Science.gov (United States)

    Frankaer, Christian G; Moroz, Olga V; Turkenburg, Johan P; Aspmo, Stein I; Thymark, Majbritt; Friis, Esben P; Stahl, Kenny; Nielsen, Jens E; Wilson, Keith S; Harris, Pernille

    2014-04-01

    A microcrystalline suspension of Bacillus lentus subtilisin (Savinase) produced during industrial large-scale production was analysed by X-ray powder diffraction (XRPD) and X-ray single-crystal diffraction (MX). XRPD established that the bulk microcrystal sample representative of the entire production suspension corresponded to space group P212121, with unit-cell parameters a = 47.65, b = 62.43, c = 75.74 Å, equivalent to those for a known orthorhombic crystal form (PDB entry 1ndq). MX using synchrotron beamlines at the Diamond Light Source with beam dimensions of 20 × 20 µm was subsequently used to study the largest crystals present in the suspension, with diffraction data being collected from two single crystals (∼20 × 20 × 60 µm) to resolutions of 1.40 and 1.57 Å, respectively. Both structures also belonged to space group P2(1)2(1)2(1), but were quite distinct from the dominant form identified by XRPD, with unit-cell parameters a = 53.04, b = 57.55, c = 71.37 Å and a = 52.72, b = 57.13, c = 65.86 Å, respectively, and refined to R = 10.8% and Rfree = 15.5% and to R = 14.1% and Rfree = 18.0%, respectively. They are also different from any of the forms previously reported in the PDB. A controlled crystallization experiment with a highly purified Savinase sample allowed the growth of single crystals of the form identified by XRPD; their structure was solved and refined to a resolution of 1.17 Å with an R of 9.2% and an Rfree of 11.8%. Thus, there are at least three polymorphs present in the production suspension, albeit with the 1ndq-like microcrystals predominating. It is shown how the two techniques can provide invaluable and complementary information for such a production suspension and it is proposed that XRPD provides an excellent quality-control tool for such suspensions.

  16. In Quest for Improved Drugs against Diabetes: The Added Value of X-ray Powder Diffraction Methods.

    Science.gov (United States)

    Karavassili, Fotini; Valmas, Alexandros; Fili, Stavroula; Georgiou, Christos D; Margiolaki, Irene

    2017-08-22

    Human insulin (HI) is a well-characterized natural hormone which regulates glycose levels into the blood-stream and is widely used for diabetes treatment. Numerous studies have manifested that despite significant efforts devoted to structural characterization of this molecule and its complexes with organic compounds (ligands), there is still a rich diagram of phase transitions and novel crystalline forms to be discovered. Towards the improvement of drug delivery, identification of new insulin polymorphs from polycrystalline samples, simulating the commercially available drugs, is feasible today via macromolecular X-ray powder diffraction (XRPD). This approach has been developed, and is considered as a respectable method, which can be employed in biosciences for various purposes, such as observing phase transitions and characterizing bulk pharmaceuticals. An overview of the structural studies on human insulin complexes performed over the past decade employing both synchrotron and laboratory sources for XRPD measurements, is reported herein. This review aims to assemble all of the recent advances in the diabetes treatment field in terms of drug formulation, verifying in parallel the efficiency and applicability of protein XRPD for quick and accurate preliminary structural characterization in the large scale.

  17. Structural analysis of GaN using high-resolution X-ray diffraction at variable temperatures; Analyse struktureller Eigenschaften von GaN mittels hochaufloesender Roentgenbeugung bei variabler Messtemperatur

    Energy Technology Data Exchange (ETDEWEB)

    Roder, C.

    2007-02-26

    The main topic of this thesis was the study of stress phenomena in GaN layers by application of high-resolution X-ray diffractometry at variable measurement temperature. For this a broad spectrum of different GaN samples was studied, which extended from bulk GaN crystals as well as thick c-plane oriented HVPE-GaN layers on c-plane sapphire over laterlaly overgrown c-plane GaN Layers on Si(111) substrates toon-polar a-plnae GaN layers on r-plane sapphire. The main topic of the measurements was the determination of the lattice parameters. Supplementarily the curvature of the waver as well as the excitonic resosance energies were studied by means of photoluminescence respectively photoreflection spectroscopy. By the measurement of the temperature-dependent lattice parameters of different GaN bulk crystals for the first time a closed set of thermal-expansion coefficients of GaN was determined from 12 to 1205 K with large accuracy. Analoguously the thermal-expansion coefficents of the substrate material sapphire were determinde over a temperature range from 10 to 1166 K.

  18. Comparative studies of p6m siliceous mesostructures by powder X-ray diffraction and nitrogen adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Pikus, S. [Department of Crystallography, M. Curie-Sklodowska University, 20-031 Lublin (Poland)]. E-mail: stanpik1@wp.pl; Solovyov, L.A. [Institute of Chemistry and Chemical Technology, 660049 Krasnoyarsk (Russian Federation); Kozak, M. [Department of Macromolecular Physics, A. Mickiewicz University, 61-614 Poznan (Poland); Jaroniec, M. [Department of Chemistry, Kent State University, Kent, OH 44242 (United States)]. E-mail: jaroniec@kent.edu

    2007-04-30

    Two-dimensional mesostructures with p6m symmetry such as MCM-41 and SBA-15 are the subject of intensive studies by using nitrogen and argon adsorption, transmission electron microscopy, and powder X-ray diffraction/scattering techniques. The latter may involve the X-ray diffraction (XRD) or small angle X-ray scattering (SAXS) measurements. The XRD/SAXS patterns for the aforementioned ordered mesostructures often exhibit four or more reflections, the most intensive one, 1 0 0 peak, and three less intensive peaks, 1 1 0, 2 0 0, 2 1 0. So far, analysis of these patterns was usually limited for the evaluation of the unit cell parameter and the identification of the observed peaks. In this work we present an attempt to analyze the XRD/SAXS patterns by including not only the position of observed peaks but also their intensity. It is shown that the intensity of these peaks, especially 1 1 0 peak, depends on the ratio of the pore diameter to the unit cell parameter. In particular, this dependence was studied for the intensity ratio of 1 1 0 and 2 0 0 peaks assuming 2 0 0 peak as a reference reflection because of its nearness to 1 1 0 peak (which minimizes the influence of other factors than the structural ones on the 1 1 0/2 0 0 intensity ratio analysis) and similar intensity to that of 1 1 0 peak. The values of the 1 1 0/2 0 0 intensity ratio were determined for many MCM-41 and SBA-15 samples and analyzed in relation to the pore width/unit cell ratio, where the pore width was estimated on the basis of nitrogen adsorption data or by the XRD/SAXS structure modeling. Comparative analysis of this intensity ratio for numerous MCM-41 and SBA-15 samples allows for a quick estimation of the pore width and provides some information about hexagonality of mesopores in these materials.

  19. NEUTRON POWDER DIFFRACTION TECHNIQUE '

    African Journals Online (AJOL)

    2006-05-04

    May 4, 2006 ... (paramagnetic), whereas it varies irregularly with temperature in the low temperature region, due to the small Co moment. Thetefpte, in our model, the value of BCO at low temperature is estimated by extrapolating thatj in iicubic structure. Then 8Tb can be deriveciirandshows an almost linear variation.

  20. The structure of denisovite, a fibrous nanocrystalline polytypic disordered `very complex' silicate, studied by a synergistic multi-disciplinary approach employing methods of electron crystallography and X-ray powder diffraction

    Directory of Open Access Journals (Sweden)

    Ira V. Rozhdestvenskaya

    2017-05-01

    Full Text Available Denisovite is a rare mineral occurring as aggregates of fibres typically 200–500 nm diameter. It was confirmed as a new mineral in 1984, but important facts about its chemical formula, lattice parameters, symmetry and structure have remained incompletely known since then. Recently obtained results from studies using microprobe analysis, X-ray powder diffraction (XRPD, electron crystallography, modelling and Rietveld refinement will be reported. The electron crystallography methods include transmission electron microscopy (TEM, selected-area electron diffraction (SAED, high-angle annular dark-field imaging (HAADF, high-resolution transmission electron microscopy (HRTEM, precession electron diffraction (PED and electron diffraction tomography (EDT. A structural model of denisovite was developed from HAADF images and later completed on the basis of quasi-kinematic EDT data by ab initio structure solution using direct methods and least-squares refinement. The model was confirmed by Rietveld refinement. The lattice parameters are a = 31.024 (1, b = 19.554 (1 and c = 7.1441 (5 Å, β = 95.99 (3°, V = 4310.1 (5 Å3 and space group P12/a1. The structure consists of three topologically distinct dreier silicate chains, viz. two xonotlite-like dreier double chains, [Si6O17]10−, and a tubular loop-branched dreier triple chain, [Si12O30]12−. The silicate chains occur between three walls of edge-sharing (Ca,Na octahedra. The chains of silicate tetrahedra and the octahedra walls extend parallel to the z axis and form a layer parallel to (100. Water molecules and K+ cations are located at the centre of the tubular silicate chain. The latter also occupy positions close to the centres of eight-membered rings in the silicate chains. The silicate chains are geometrically constrained by neighbouring octahedra walls and present an ambiguity with respect to their z position along these walls, with displacements between neighbouring layers being

  1. Charge localization in oxidized Pb2Sr2Y0.5Cu308+8 studies by electron and neutron powder diffraction

    DEFF Research Database (Denmark)

    Iversen, M.H.; Jørgensen, J.E.; Andersen, N.H.

    1998-01-01

    Oxidized Pb2Sr2Y0.5Ca0.5Cu3O8+delta was studied by electron diffraction and neutron powder diffraction. The electron diffraction diagrams showed a doubling along the b-axis and a quadruplication along the a-axis indicating that the excess oxygen is incorporated into the structure in an ordered way....... The oxygen content was determined from refinement of the neutron data and delta = 1.2(1) was obtained. Calculation of bond valency sums for the cations shows that the bond valency sum for Cu in the CuO2 layers in Pb2Sr2Y0.5Ca0.5Cu3O8 decreases when the compound is oxidized, thereby explaining the lack...

  2. High-resolution multiphoton cryomicroscopy.

    Science.gov (United States)

    König, Karsten; Uchugonova, Aisada; Breunig, Hans Georg

    2014-03-15

    An ultracompact high-resolution multiphoton cryomicroscope with a femtosecond near infrared fiber laser has been utilized to study the cellular autofluorescence during freezing and thawing of cells. Cooling resulted in an increase of the intracellular fluorescence intensity followed by morphological modifications at temperatures below -10 °C, depending on the application of the cryoprotectant DMSO and the cooling rate. Furthermore, fluorescence lifetime imaging revealed an increase of the mean lifetime with a decrease in temperature. Non-destructive, label-free optical biopsies of biomaterial in ice can be obtained with sub-20 mW mean powers. Copyright © 2013 Elsevier Inc. All rights reserved.

  3. Methane storage mechanism in the metal-organic framework Cu3(btc)2: An in situ neutron diffraction study

    NARCIS (Netherlands)

    Getzschmann, J.; Senkovska, I.; Wallacher, D.; Tovar, M.; Fairen-Jimenez, D.; Düren, T.; van Baten, J.M.; Krishna, R.; Kaskel, S.

    2010-01-01

    The adsorption of deutero-methane (CD4) in Cu3(btc)2 (HKUST-1) was investigated at 77 K using high-resolution neutron powder diffraction. Rietveld refinement of the neutron data revealed a sequential filling of the rigid framework at distinct preferred adsorption sites, and showed the importance of

  4. The equation of state of PbTiO sub 3 up to 37 GPa: a synchrotron x-ray powder diffraction study

    CERN Document Server

    Sani, A; Levy, D

    2002-01-01

    High-pressure synchrotron x-ray powder diffraction patterns were collected using ID09 of ESRF (Grenoble, France) for a powder sample of PbTiO sub 3 , placed in a diamond anvil cell. The patterns were collected at room temperature using nitrogen (up to 37 GPa) and methanol-ethanol solution (up to 7 GPa) as pressure-transmitting media. The bulk moduli were calculated for the first time using the Vinet equation of state and they were compared to those of isostructural compounds. The trend of the spontaneous polarization as a function of pressure confirms that the ferroelectric-paraelectric phase transition at 11.2 GPa possesses a second-order character.

  5. Temperature induced phase transformations and microstructural changes in nanostructured FeCu solid solutions using in situ neutron powder thermo-diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Blanco, D. [Unidad de Magnetometria, SCT' s, Universidad de Oviedo, Julian Claveria, 8, 33006 Oviedo (Spain); Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo s/n, Oviedo 33007 (Spain); Gorria, P., E-mail: pgorria@uniovi.e [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo s/n, Oviedo 33007 (Spain); Blanco, J.A. [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo s/n, Oviedo 33007 (Spain); Smith, R.I. [ISIS facility, RAL, Chilton, Didcot, Oxon OX11 0QX (United Kingdom)

    2009-08-26

    In situ neutron powder thermo-diffraction experiments in the temperature range from 300 K to 1170 K have been carried out in nanostructured and metastable Fe{sub 15}Cu{sub 85} and Fe{sub 85}Cu{sub 15} solid solutions, which were synthesized by means of a mechanical alloying technique. We report on the microstructural changes and the phase transformations that take place during controlled heating and cooling processes. The average crystalline grain size is similar for both samples in the as-milled state (approx16-20 nm) while the induced strain is 2.5 times higher in the Fe-rich powders, reaching 1%. Moreover, the alpha-gamma transformation for Fe{sub 15}Cu{sub 85} starts at temperatures lower (approx900 K) than that expected for pure Fe (1183 K) due likely to the existence of local inhomogeneities in the composition of the ball milled material.

  6. 1-(2-furoyl)-3,3-(diphenyl)thiourea: spectroscopic characterization and structural study from X-ray powder diffraction using simulated annealing

    Energy Technology Data Exchange (ETDEWEB)

    Estevez H, O.; Duque, J. [Universidad de La Habana, Instituto de Ciencia y Tecnologia de Materiales, 10400 La Habana (Cuba); Rodriguez H, J. [UNAM, Instituto de Investigaciones en Materiales, 04510 Mexico D. F. (Mexico); Yee M, H., E-mail: oestevezh@yahoo.com [Instituto Politecnico Nacional, Escuela Superior de Fisica y Matematicas, 07738 Mexico D. F. (Mexico)

    2015-07-01

    1-Furoyl-3,3-diphenylthiourea (FDFT) was synthesized, and characterized by Ftir, {sup 1}H and {sup 13}C NMR and ab initio X-ray powder structure analysis. FDFT crystallizes in the monoclinic space group P2{sub 1} with a = 12.691(1), b = 6.026(2), c = 11.861(1) A, β = 117.95(2) and V = 801.5(3) A{sup 3}. The crystal structure has been determined from laboratory X-ray powder diffraction data using direct space global optimization strategy (simulated annealing) followed by the Rietveld refinement. The thiourea group makes a dihedral angle of 73.8(6) with the furoyl group. In the crystal structure, molecules are linked by van der Waals interactions, forming one-dimensional chains along the a axis. (Author)

  7. Enhanced High Resolution RBS System

    Science.gov (United States)

    Pollock, Thomas J.; Hass, James A.; Klody, George M.

    2011-06-01

    Improvements in full spectrum resolution with the second NEC high resolution RBS system are summarized. Results for 50 Å TiN/HfO films on Si yielding energy resolution on the order of 1 keV are also presented. Detector enhancements include improved pulse processing electronics, upgraded shielding for the MCP/RAE detector, and reduced noise generated from pumping. Energy resolution measurements on spectra front edge coupled with calculations using 0.4mStr solid angle show that beam energy spread at 400 KeV from the Pelletron® accelerator is less than 100 eV. To improve user throughput, magnet control has been added to the automatic data collection. Depth profiles derived from experimental data are discussed. For the thin films profiled, depth resolutions were on the Angstrom level with the non-linear energy/channel conversions ranging from 100 to 200 eV.

  8. High resolution tomographic instrument development

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    Our recent work has concentrated on the development of high-resolution PET instrumentation reflecting in part the growing importance of PET in nuclear medicine imaging. We have developed a number of positron imaging instruments and have the distinction that every instrument has been placed in operation and has had an extensive history of application for basic research and clinical study. The present program is a logical continuation of these earlier successes. PCR-I, a single ring positron tomograph was the first demonstration of analog coding using BGO. It employed 4 mm detectors and is currently being used for a wide range of biological studies. These are of immense importance in guiding the direction for future instruments. In particular, PCR-II, a volume sensitive positron tomograph with 3 mm spatial resolution has benefited greatly from the studies using PCR-I. PCR-II is currently in the final stages of assembly and testing and will shortly be placed in operation for imaging phantoms, animals and ultimately humans. Perhaps the most important finding resulting from our previous study is that resolution and sensitivity must be carefully balanced to achieve a practical high resolution system. PCR-II has been designed to have the detection characteristics required to achieve 3 mm resolution in human brain under practical imaging situations. The development of algorithms by the group headed by Dr. Chesler is based on a long history of prior study including his joint work with Drs. Pelc and Reiderer and Stearns. This body of expertise will be applied to the processing of data from PCR-II when it becomes operational.

  9. High resolution tomographic instrument development

    Energy Technology Data Exchange (ETDEWEB)

    1992-08-01

    Our recent work has concentrated on the development of high-resolution PET instrumentation reflecting in part the growing importance of PET in nuclear medicine imaging. We have developed a number of positron imaging instruments and have the distinction that every instrument has been placed in operation and has had an extensive history of application for basic research and clinical study. The present program is a logical continuation of these earlier successes. PCR-I, a single ring positron tomograph was the first demonstration of analog coding using BGO. It employed 4 mm detectors and is currently being used for a wide range of biological studies. These are of immense importance in guiding the direction for future instruments. In particular, PCR-II, a volume sensitive positron tomograph with 3 mm spatial resolution has benefited greatly from the studies using PCR-I. PCR-II is currently in the final stages of assembly and testing and will shortly be placed in operation for imaging phantoms, animals and ultimately humans. Perhaps the most important finding resulting from our previous study is that resolution and sensitivity must be carefully balanced to achieve a practical high resolution system. PCR-II has been designed to have the detection characteristics required to achieve 3 mm resolution in human brain under practical imaging situations. The development of algorithms by the group headed by Dr. Chesler is based on a long history of prior study including his joint work with Drs. Pelc and Reiderer and Stearns. This body of expertise will be applied to the processing of data from PCR-II when it becomes operational.

  10. Twin-domain size and bulk oxygen in-diffusion kinetics of YBa2Cu3O6+x studied by neutron powder diffraction and gas volumetry

    DEFF Research Database (Denmark)

    Poulsen, H.F.; Andersen, N.H.; Lebech, B.

    1991-01-01

    We report experimental results of twin-domain size and bulk oxygen in-diffusion kinetics of YBa2Cu3O6+x, which supplement a previous and simultaneous study of the structural phase diagram and oxygen equilibrium partial pressure. Analysis of neutron powder diffraction peak broadening show features...... which are identified to result from temperature independent twin-domain formation in to different orthorhombic phases with domain sizes 250 and 350 angstrom, respectively. The oxygen in-diffusion flow shows simple relaxation type behaviour J = J0 exp(-t/tau) despite a rather broad particle size...

  11. A general method for baseline-removal in ultrafast electron powder diffraction data using the dual-tree complex wavelet transform

    Directory of Open Access Journals (Sweden)

    Laurent P. René de Cotret

    2017-07-01

    Full Text Available The general problem of background subtraction in ultrafast electron powder diffraction (UEPD is presented with a focus on the diffraction patterns obtained from materials of moderately complex structure which contain many overlapping peaks and effectively no scattering vector regions that can be considered exclusively background. We compare the performance of background subtraction algorithms based on discrete and dual-tree complex (DTCWT wavelet transforms when applied to simulated UEPD data on the M1–R phase transition in VO2 with a time-varying background. We find that the DTCWT approach is capable of extracting intensities that are accurate to better than 2% across the whole range of scattering vector simulated, effectively independent of delay time. A Python package is available.

  12. Concept for a new high resolution high intensity diffractometer

    Energy Technology Data Exchange (ETDEWEB)

    Stuhr, U. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-09-01

    A concept of a new time-of-flight powder-diffractometer for a thermal neutral beam tube at SINQ is presented. The design of the instrument optimises the contradictory conditions of high intensity and high resolution. The high intensity is achieved by using many neutron pulses simultaneously. By analysing the time-angle-pattern of the detected neutrons an assignment of the neutrons to a single pulse is possible. (author) 3 figs., tab., refs.

  13. Resolution of crystal structures by X-ray and neutrons powder diffraction using global optimisation methods; Resolution des structures cristallines par diffraction des rayons X et neutrons sur poudres en utilisant les methodes d'optimisation globale

    Energy Technology Data Exchange (ETDEWEB)

    Palin, L

    2005-03-15

    We have shown in this work that X-ray diffraction on powder is a powerful tool to analyze crystal structure. The purpose of this thesis is the resolution of crystal structures by X-ray and neutrons diffraction on powder using global optimisation methods. We have studied 3 different topics. The first one is the order-disorder phenomena observed in some globular organic molecular solids. The second is the opiate family of neuropeptides. These neurotransmitters regulate sensory functions including pain and control of respiration in the central nervous system. The aim of our study was to try to determine the crystal structure of Leu-enkephalin and some of its sub-fragments. The determination of the crystal structures has been done performing Monte Carlo simulations. The third one is the location of benzene in a sodium-X zeolite. The zeolite framework was already known and the benzene has been localized by simulated annealing and by the use of maximum entropy maps.

  14. Pd grating obtained by direct micromolding for use in high resolution ...

    Indian Academy of Sciences (India)

    the pattern when used as an optical grating produced a diffraction pattern with a high resolution (>2000); the inten- sities of widely separated ... Keywords. Micromolding technique; Pd grating; Cu electroless deposition; diffraction efficiency; optical diffraction. 1. .... ethanol to remove any uncured polymer. The resulting stamp.

  15. Moessbauer and X-ray diffraction studies of nanostructured Fe{sub 70}Al{sub 30} powders elaborated by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Kezrane, M., E-mail: mohamedkezrane@yahoo.fr [LMP2M Laboratory, University of Medea, (26000) (Algeria); Guittoum, A. [Nuclear Research Centre of Algiers, 2 Bd Frantz Fanon, BP 399, Algiers (Algeria); Boukherroub, N.; Lamrani, S. [LMMC, M' hamed Bougara University, Boumerdes, 35000 (Algeria); Sahraoui, T. [Laboratory of Materials and Surface Treatments, LTSM, University of Saad Dahleb Blida, BP. 270 route de Soumaa, Blida (09000) (Algeria)

    2012-09-25

    Highlights: Black-Right-Pointing-Pointer Nanocrystalline Fe{sub 70}Al{sub 30} powders were successfully elaborated by mechanical alloying. Black-Right-Pointing-Pointer The Moessbauer spectra show that from 4 h of milling, a disordered ferromagnetic. Black-Right-Pointing-Pointer Fe{sub 70}Al{sub 30} starts to form and dominates after 36 h. - Abstract: We have studied the effect of milling time on the structural and hyperfine properties of Fe{sub 70}Al{sub 30} compound elaborated by mechanical alloying. The elaboration was performed with a vario-planetary ball mill P4 at different milling times. The milled powders were characterized by X-ray diffraction (XRD) and Moessbauer spectroscopy. From XRD diffraction spectra, we show that the bcc Fe(Al) solid solution was completely formed after 27 h of milling time. When the milling time increases, the lattice parameter increases, whereas the grain size decreases and the mean level of microstrains increases. The analysis of Moessbauer spectra shows that from 4 h of milling, a disordered ferromagnetic Fe{sub 70}Al{sub 30} starts to form and dominates after 36 h.

  16. High-resolution infrared imaging

    Science.gov (United States)

    Falco, Charles M.

    2010-08-01

    The hands and mind of an artist are intimately involved in the creative process of image formation, intrinsically making paintings significantly more complex than photographs to analyze. In spite of this difficulty, several years ago the artist David Hockney and I identified optical evidence within a number of paintings that demonstrated artists began using optical projections as early as c1425 - nearly 175 years before Galileo - as aids for producing portions of their images. In the course of our work, Hockney and I developed insights that I have been applying to a new approach to computerized image analysis. Recently I developed and characterized a portable high resolution infrared for capturing additional information from paintings. Because many pigments are semi-transparent in the IR, in a number of cases IR photographs ("reflectograms") have revealed marks made by the artists that had been hidden under paint ever since they were made. I have used this IR camera to capture photographs ("reflectograms") of hundreds of paintings in over a dozen museums on three continents and, in some cases, these reflectograms have provided new insights into decisions the artists made in creating the final images that we see in the visible.

  17. Evaluation of Advanced Bionics high resolution mode.

    Science.gov (United States)

    Buechner, Andreas; Frohne-Buechner, Carolin; Gaertner, Lutz; Lesinski-Schiedat, Anke; Battmer, Rolf-Dieter; Lenarz, Thomas

    2006-07-01

    The objective of this paper is to evaluate the advantages of the Advanced Bionic high resolution mode for speech perception, through a retrospective analysis. Forty-five adult subjects were selected who had a minimum experience of three months' standard mode (mean of 10 months) before switching to high resolution mode. Speech perception was tested in standard mode immediately before fitting with high resolution mode, and again after a maximum of six months high resolution mode usage (mean of two months). A significant improvement was found, between 11 and 17%, depending on the test material. The standard mode preference does not give any indication about the improvement when switching to high resolution. Users who are converted within any study achieve a higher performance improvement than those converted in the clinical routine. This analysis proves the significant benefits of high resolution mode for users, and also indicates the need for guidelines for individual optimization of parameter settings in a high resolution mode program.

  18. A high resolution powder diffractometer using focusing optics

    Indian Academy of Sciences (India)

    Pramana – Journal of Physics. Current Issue : Vol. 89, Issue 6 · Current Issue Volume 89 | Issue 6. December 2017. Home · Volumes & Issues · Special Issues · Forthcoming Articles · Search · Editorial Board · Information for Authors · Subscription ...

  19. High resolution transmission electron microscopy of aluminophosphates

    Energy Technology Data Exchange (ETDEWEB)

    Ulan, J.G.; Gronsky, R. (Lawrence Berkeley Lab., CA (USA)); Szostak, R. (Georgia Inst. of Tech., Atlanta, GA (USA)); Sorby, K. (Oslo Univ. (Norway). Dept. of Chemistry)

    1990-04-01

    VPI-5 transforms to AlPO{sub 4}-8 under mild thermal treatment (100{degree}C, 18 hrs). HRTEM micrographs, oriented normal to the c axis, show extensive defect-free regions in VPI-5, while slip planes normal to the c axis are found in AlPO{sub 4}-8. Analysis of the HRTEM data, in conjunction with infrared and thermal analysis, adsorption studies and x-ray powder diffraction, has lead to a proposed structure for AlPO{sub 4}-8. Though the sheets containing the 18 member rings which define the pores in VPI-5 remain intact in AlPO{sub 4}-8, reduction in the porosity is attributed to blockages created by the movement of these sheets relative to each other. 8 refs., 7 figs.

  20. Possibilities and limitations of synchrotron X-ray powder diffraction with double crystal and double multilayer monochromators for microscopic speciation studies

    Energy Technology Data Exchange (ETDEWEB)

    De Nolf, Wout [Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610, Antwerpen (Wilrijk) (Belgium)], E-mail: wout.denolf@ua.ac.be; Jaroszewicz, Jakub [Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610, Antwerpen (Wilrijk) (Belgium); Terzano, Roberto [Dipartimento di Biologia e Chimica Agro-forestale ed Ambientale, Via Amendola 165/A, I-70126, University of Bari, Bari (Italy); Lind, Ole Christian; Salbu, Brit [Isotope Laboratory, Norwegian University of Life Sciences, PO Box 5003, N-1432 As (Norway); Vekemans, Bart [Department of Analytical Chemistry, Ghent University, Krijgslaan 281 S12, B-9000 Gent (Belgium); Janssens, Koen [Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610, Antwerpen (Wilrijk) (Belgium); Falkenberg, Gerald [HASYLAB at DESY, Beamline L, Notkestraat 85, D-22603, Hamburg (Germany)

    2009-08-15

    The performance of a combined microbeam X-ray fluorescence/X-ray powder diffraction (XRF/XRPD) measurement station at Hamburger Synchrotronstrahlungslabor (HASYLAB) Beamline L is discussed in comparison to that at European Synchrotron Radiation Facility (ESRF) ID18F/ID22. The angular resolution in the X-ray diffractograms is documented when different combinations of X-ray source, optics and X-ray diffraction detectors are employed. Typical angular resolution values in the range 0.3-0.5 deg. are obtained at the bending magnet source when a 'pink' beam form of excitation is employed. A similar setup at European Synchrotron Radiation Facility beamlines ID18F and ID22 allows to reach angular resolution values of 0.1-0.15 deg. In order to document the possibilities and limitations for speciation of metals in environmental materials by means of Hamburger Synchrotronstrahlungslabor Beamline L X-ray fluorescence/X-ray powder diffraction setup, two case studies are discussed, one involved in the identification of the crystal phases in which heavy metals such as chromium, iron, barium and lead are present in polluted soils of an industrial site (Val Basento, Italy) and another involved in the speciation of uranium in depleted uranium particles (Ceja Mountains, Kosovo). In the former case, the angular resolution is sufficient to allow identification of most crystalline phases present while in the latter case, it is necessary to dispose of an angular resolution of ca. 0.2 deg. to distinguish between different forms of oxidized uranium.

  1. High Resolution Imaging with AEOS

    Energy Technology Data Exchange (ETDEWEB)

    Patience, J; Macintosh, B A; Max, C E

    2001-08-27

    The U. S. Air Force Advanced Electro-Optical System (AEOS) which includes a 941 actuator adaptive optics system on a 3.7m telescope has recently been made available for astronomical programs. Operating at a wavelength of 750 nm, the diffraction-limited angular resolution of the system is 0.04 inches; currently, the magnitude limit is V {approx} 7 mag. At the distances of nearby open clusters, diffraction-limited images should resolve companions with separations as small as 4-6 AU--comparable to the Sun-Jupiter distance. The ability to study such close separations is critical, since most companions are expected to have separations in the few AU to tens of AU range. With the exceptional angular resolution of the current AEOS setup, but restricted target magnitude range, we are conducting a companion search of a large, well-defined sample of bright early-type stars in nearby open clusters and in the field. Our data set will both characterize this relatively new adaptive optics system and answer questions in binary star formation and stellar X-ray activity. We will discuss our experience using AEOS, the data analysis involved, and our initial results.

  2. Crystal structure of aspartame anhydrate from powder diffraction data. Structural aspects of the dehydration process of aspartame

    NARCIS (Netherlands)

    Guguta, C.; Meekes, H.L.M.; Gelder, R. de

    2006-01-01

    Aspartame has three pseudo-polymorphic forms, two hydrates and a hemi-hydrate, for which crystal structures were determined from single-crystal diffraction data. This paper presents the crystal structure of the anhydrate, which was obtained by dehydrating the hemi-hydrate. The crystal structure of

  3. Morphology, granulometric and structural phase composition of mechanically synthesized composite powder Al-Mg+Al/MWCNTs

    Science.gov (United States)

    Aborkin, A. V.; Sobol’kov, A. V.; Kireev, A. V.; Volochko, A. T.; Izobello, A. Yu; Sachkova, N. V.; Sytschev, A. E.

    2018-01-01

    A method of mechanical synthesis in a planetary ball mill produced composite powders based on a nanocrystalline Al-Mg matrix reinforced with micro additives of Al / MWCNTs. The granulometric composition of the obtained composite powders was studied. It has been established that the concentration of Al / MWCNTs does not significantly affect the average particle size of the composite powder formed in the process of mechanical synthesis. The resulting composite powders were studied by X-ray diffraction analysis. The influence of the Al / MWCNTs concentration on the size of the coherent scattering regions of the synthesized powder is determined. The morphology of the resulting composite powders was studied by high-resolution scanning microscopy. The resulting powders can be used in the creation of bulk composite materials and functional coatings.

  4. Structural Transitions in Nanosized Zn0.97Al0.03O Powders under High Pressure Analyzed by in Situ Angle-Dispersive X-ray Diffraction

    Directory of Open Access Journals (Sweden)

    Chih-Ming Lin

    2016-07-01

    Full Text Available Nanosized aluminum-doped zinc oxide Zn1−xAlxO (AZO powders (AZO-NPs with x = 0.01, 0.03, 0.06, 0.09 and 0.11 were synthesized by chemical precipitation method. The thermogravimetric analysis (TGA indicated that the precursors were converted to oxides from hydroxides near 250 °C, which were then heated to 500 °C for subsequent thermal processes to obtain preliminary powders. The obtained preliminary powders were then calcined at 500 °C for three hours. The structure and morphology of the products were measured and characterized by angle-dispersive X-ray diffraction (ADXRD and scanning electron microscopy (SEM. ADXRD results showed that AZO-NPs with Al content less than 11% exhibited würtzite zinc oxide structure and there was no other impurity phase in the AZO-NPs, suggesting substitutional doping of Al on Zn sites. The Zn0.97Al0.03O powders (A3ZO-NPs with grain size of about 21.4 nm were used for high-pressure measurements. The in situ ADXRD measurements revealed that, for loading run, the pressure-induced würtzite (B4-to-rocksalt (B1 structural phase transition began at 9.0(1 GPa. Compared to the predicted phase-transition pressure of ~12.7 GPa for pristine ZnO nanocrystals of similar grain size (~21.4 nm, the transition pressure for the present A3ZO-NPs exhibited a reduction of ~3.7 GPa. The significant reduction in phase-transition pressure is attributed to the effects of highly selective site occupation, namely Zn2+ and Al3+, were mainly found in tetrahedral and octahedral sites, respectively.

  5. Structural Transitions in Nanosized Zn0.97Al0.03O Powders under High Pressure Analyzed by in Situ Angle-Dispersive X-ray Diffraction

    Science.gov (United States)

    Lin, Chih-Ming; Liu, Hsin-Tzu; Zhong, Shi-Yao; Hsu, Chia-Hung; Chiu, Yi-Te; Tai, Ming-Fong; Juang, Jenh-Yih; Chuang, Yu-Chun; Liao, Yen-Fa

    2016-01-01

    Nanosized aluminum-doped zinc oxide Zn1−xAlxO (AZO) powders (AZO-NPs) with x = 0.01, 0.03, 0.06, 0.09 and 0.11 were synthesized by chemical precipitation method. The thermogravimetric analysis (TGA) indicated that the precursors were converted to oxides from hydroxides near 250 °C, which were then heated to 500 °C for subsequent thermal processes to obtain preliminary powders. The obtained preliminary powders were then calcined at 500 °C for three hours. The structure and morphology of the products were measured and characterized by angle-dispersive X-ray diffraction (ADXRD) and scanning electron microscopy (SEM). ADXRD results showed that AZO-NPs with Al content less than 11% exhibited würtzite zinc oxide structure and there was no other impurity phase in the AZO-NPs, suggesting substitutional doping of Al on Zn sites. The Zn0.97Al0.03O powders (A3ZO-NPs) with grain size of about 21.4 nm were used for high-pressure measurements. The in situ ADXRD measurements revealed that, for loading run, the pressure-induced würtzite (B4)-to-rocksalt (B1) structural phase transition began at 9.0(1) GPa. Compared to the predicted phase-transition pressure of ~12.7 GPa for pristine ZnO nanocrystals of similar grain size (~21.4 nm), the transition pressure for the present A3ZO-NPs exhibited a reduction of ~3.7 GPa. The significant reduction in phase-transition pressure is attributed to the effects of highly selective site occupation, namely Zn2+ and Al3+, were mainly found in tetrahedral and octahedral sites, respectively. PMID:28773683

  6. Section on High Resolution Optical Imaging (HROI)

    Data.gov (United States)

    Federal Laboratory Consortium — The Section on High Resolution Optical Imaging (HROI) develops novel technologies for studying biological processes at unprecedented speed and resolution. Research...

  7. Validation of missed space-group symmetry in X-ray powder diffraction structures with dispersion-corrected density functional theory.

    Science.gov (United States)

    Hempler, Daniela; Schmidt, Martin U; van de Streek, Jacco

    2017-08-01

    More than 600 molecular crystal structures with correct, incorrect and uncertain space-group symmetry were energy-minimized with dispersion-corrected density functional theory (DFT-D, PBE-D3). For the purpose of determining the correct space-group symmetry the required tolerance on the atomic coordinates of all non-H atoms is established to be 0.2 Å. For 98.5% of 200 molecular crystal structures published with missed symmetry, the correct space group is identified; there are no false positives. Very small, very symmetrical molecules can end up in artificially high space groups upon energy minimization, although this is easily detected through visual inspection. If the space group of a crystal structure determined from powder diffraction data is ambiguous, energy minimization with DFT-D provides a fast and reliable method to select the correct space group.

  8. Temperature-Induced Desorption of Methyl tert-Butyl Ether Confined on ZSM-5: An In Situ Synchrotron XRD Powder Diffraction Study

    Directory of Open Access Journals (Sweden)

    Elisa Rodeghero

    2017-02-01

    Full Text Available The temperature-induced desorption of methyl tert-butyl ether (MTBE from aqueous solutions onto hydrophobic ZSM-5 was studied by in situ synchrotron powder diffraction and chromatographic techniques. This kind of information is crucial for designing and optimizing the regeneration treatment of such zeolite. The evolution of the structural features monitored by full profile Rietveld refinements revealed that a monoclinic (P21/n to orthorhombic (Pnma phase transition occurred at about 100 °C. The MTBE desorption process caused a remarkable change in the unit-cell parameters. Complete MTBE desorption was achieved upon heating at about 250 °C. Rietveld analysis demonstrated that the desorption process occurred without any significant zeolite crystallinity loss, but with slight deformations in the channel apertures.

  9. Evaluation of laboratory powder X-ray micro-diffraction for applications in the fields of cultural heritage and forensic science.

    Science.gov (United States)

    Svarcová, Silvie; Kocí, Eva; Bezdicka, Petr; Hradil, David; Hradilová, Janka

    2010-09-01

    The uniqueness and limited amounts of forensic samples and samples from objects of cultural heritage together with the complexity of their composition requires the application of a wide range of micro-analytical methods, which are non-destructive to the samples, because these must be preserved for potential late revision. Laboratory powder X-ray micro-diffraction (micro-XRD) is a very effective non-destructive technique for direct phase analysis of samples smaller than 1 mm containing crystal constituents. It compliments optical and electron microscopy with elemental micro-analysis, especially in cases of complicated mixtures containing phases with similar chemical composition. However, modification of X-ray diffraction to the micro-scale together with its application for very heterogeneous real samples leads to deviations from the standard procedure. Knowledge of both the limits and the phenomena which can arise during the analysis is crucial for the meaningful and proper application of the method. We evaluated basic limits of micro-XRD equipped with a mono-capillary with an exit diameter of 0.1 mm, for example the size of irradiated area, appropriate grain size, and detection limits allowing identification of given phases. We tested the reliability and accuracy of quantitative phase analysis based on micro-XRD data in comparison with conventional XRD (reflection and transmission), carrying out experiments with two-phase model mixtures simulating historic colour layers. Furthermore, we demonstrate the wide use of micro-XRD for investigation of various types of micro-samples (contact traces, powder traps, colour layers) and we show how to enhance data quality by proper choice of experiment geometry and conditions.

  10. Static and Dynamical Structural Investigations of Metal-Oxide Nanocrystals by Powder X-ray Diffraction: Colloidal Tungsten Oxide as a Case Study.

    Science.gov (United States)

    Caliandro, Rocco; Sibillano, Teresa; Belviso, B Danilo; Scarfiello, Riccardo; Hanson, Jonathan C; Dooryhee, Eric; Manca, Michele; Cozzoli, P Davide; Giannini, Cinzia

    2016-03-03

    We have developed a general X-ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO3-x NCs), as a model polymorphic nanoscale material system. Rod-shaped WO3-x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as-synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best-matching candidates (static analysis). Subtle stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO3-x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO3-x NC lattice, rather than a variation in stoichiometry. The time behavior of such structural change is identified on the basis of multivariate analysis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Crystal structure relation between tetragonal and orthorhombic CsAlD{sub 4}: DFT and time-of-flight neutron powder diffraction studies

    Energy Technology Data Exchange (ETDEWEB)

    Bernert, Thomas; Krech, Daniel; Felderhoff, Michael; Weidenthaler, Claudia [Department of Heterogeneous Catalysis, Max-Planck-Institut fuer Kohlenforschung, Muelheim/Ruhr (Germany); Kockelmann, Winfried [Rutherford Appleton Laboratory, Harwell Oxford, Didcot (United Kingdom); Frankcombe, Terry J. [Research School of Chemistry, The Australian National University, Canberra, ACT (Australia); School of Physical, Environmental and Mathematic Sciences, The University of New South Wales, Canberra, ACT (Australia)

    2015-11-15

    The crystal structures of orthorhombic and tetragonal CsAlD{sub 4} were refined from time-of-flight neutron powder diffraction data starting from atomic positions predicted from DFT calculations. The earlier proposed crystal structure of orthorhombic CsAlH{sub 4} is confirmed. For tetragonal CsAlH{sub 4}, DFT calculations predicted a crystal structure in I4{sub 1}/amd as potential minimum structure, while from neutron diffraction studies of CsAlD{sub 4} best refinement is obtained for a disordered structure in the space group I4{sub 1}/a, with a = 5.67231(9) Aa, c = 14.2823(5) Aa. While the caesium atoms are located on the Wyckoff position 4b and aluminium at Wyckoff position 4a, there are two distinct deuterium positions at the Wyckoff position 16f with occupancies of 50 % each. From this structure, the previously reported phase transition between the orthorhombic and tetragonal polymorphs could be explained. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. Evaluation via multivariate techniques of scale factor variability in the rietveld method applied to quantitative phase analysis with X ray powder diffraction

    Directory of Open Access Journals (Sweden)

    Terezinha Ferreira de Oliveira

    2006-12-01

    Full Text Available The present work uses multivariate statistical analysis as a form of establishing the main sources of error in the Quantitative Phase Analysis (QPA using the Rietveld method. The quantitative determination of crystalline phases using x ray powder diffraction is a complex measurement process whose results are influenced by several factors. Ternary mixtures of Al2O3, MgO and NiO were prepared under controlled conditions and the diffractions were obtained using the Bragg-Brentano geometric arrangement. It was possible to establish four sources of critical variations: the experimental absorption and the scale factor of NiO, which is the phase with the greatest linear absorption coefficient of the ternary mixture; the instrumental characteristics represented by mechanical errors of the goniometer and sample displacement; the other two phases (Al2O3 and MgO; and the temperature and relative humidity of the air in the laboratory. The error sources excessively impair the QPA with the Rietveld method. Therefore it becomes necessary to control them during the measurement procedure.

  13. Neutron powder diffraction investigation of magnetic structure and spin reorientation transition of HoFe{sub 1-x}Cr{sub x}O{sub 3} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinzhi [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China); Hao, Lijie, E-mail: haolijie@ciae.ac.cn [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China); Liu, Yuntao; Ma, Xiaobai; Meng, Siqin; Li, Yuqing; Gao, Jianbo; Guo, Hao; Han, Wenze; Sun, Kai; Wu, Meimei [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China); Chen, Xiping; Xie, Lei [Institute of Nuclear Physics and Chemistry, CAEP, Mianyang 621900 (China); Klose, Frank [Australian Nuclear Science and Technology Organization, Lucas Heights, New South Wales 2234 (Australia); Department of Physics and Materials Science, The City University of Hong Kong, Hong Kong (China); Chen, Dongfeng, E-mail: dongfeng@ciae.ac.cn [Department of Nuclear Physics, China Institute of Atomic Energy, Beijing 102413 (China)

    2016-11-01

    Orthoferrite solid solution HoFe{sub 1−x}Cr{sub x}O{sub 3} (x=0, 0.2,…,1.0) was synthesized via solid state reaction methods. The crystal structure, magnetism and spin reorientation properties of this system were investigated by X-ray diffraction, neutron powder diffraction and magnetic measurements. For compositions of x≤0.6, the system exhibits similar magnetic properties to HoFeO{sub 3}. With increasing Cr-doping, the system adopts a Γ{sub 4}(G{sub x}A{sub y}F{sub z}) magnetic configuration with a decreased Neel temperature from 640 K to 360 K. A Γ{sub 42} spin reorientation of Fe(Cr){sup 3+} was also observed in this system with an increase in transition temperature from 56 K to about 200 K due to competition between the Fe(Cr)–Fe(Cr) and Ho–Fe(Cr) interactions. For the x≥0.8, the system behaves more like HoCrO{sub 3} which adopts a Γ{sub 2}(F{sub x}C{sub y}G{sub z}) configuration with no spin reorientation below the Neel temperature T{sub N}. Throughout the whole substitution range, we found that the saturated moment of Fe(Cr) was less than the ideal value for a free ion, which implies the existence of spin fluctuation in this system. A systematic magnetic structure variation with Cr-substitution is revealed by Rietveld refinement. A phase diagram combining the results of the magnetic measurements and neutron powder diffraction results was obtained. - Highlights: • With Cr-substitution in the HoFe{sub 1−x}Cr{sub x}O{sub 3} system, A Γ{sub 42} spin reorientation of Fe(Cr){sup 3+} was observed with an increase in transition temperature from 56 K to about 200 K for x=0−0.6. • The saturated moment of Fe(Cr) position was found to be systematically less than the ideal value of free ion, and thus implies the presence of spin quantum fluctuation. • A composition–temperature phase diagram throughout x=0–1 for HoFe{sub 1−x}Cr{sub x}O{sub 3} system was established.

  14. Mesostructured silica aerosol particles: comparison of gas-phase and powder deposit X-ray diffraction data.

    Science.gov (United States)

    Shyjumon, I; Rappolt, M; Sartori, B; Cacho-Nerin, F; Grenci, G; Laggner, P; Amenitsch, H

    2011-05-03

    We report on the characterization of mesostructured aerosol silica particles in the gas phase using in situ synchrotron small-angle X-ray scattering (SAXS) in order to unveil the influence of the basic production parameters. The investigated system was based on tetraethylorthosilicate (TEOS) as the inorganic precursor and on cetyltrimethyl-ammonium bromide (CTAB) as the surfactant. The heating temperature, surfactant to silicate ratio, and particle flow rate were thoroughly investigated, and for this purpose, an in-house-built aerosol reactor equipped with a special X-ray observation chamber was used. Complementary fine structural analysis was applied on dried deposits of the silica aerosols comprising direct Fourier transforms as well as simple two-phase model fits. This resulted in robust estimates for the silica wall thickness and surfactant core radius of the hexagonally ordered mesostructure. The particle shape and size distribution were examined by scanning electron microscopy (SEM). The quality of the inner nanostructure was revealed from an analysis of the peak width. The comparison of data from the gas phase and powder deposit shows that, in general, slower drying conditions (heating temperature about 80 °C) and a medium surfactant to Si ratio (about 0.14) lead to nanostructures of the best quality in terms of well-defined long-range organization.

  15. VT Hydrography Dataset - High Resolution NHD

    Data.gov (United States)

    Vermont Center for Geographic Information — (Link to Metadata) The Vermont Hydrography Dataset (VHD) is compliant with the local resolution (also known as High Resolution) National Hydrography Dataset (NHD)...

  16. High Resolution Silicon Deformable Mirrors Project

    Data.gov (United States)

    National Aeronautics and Space Administration — In this proposal we describe a plan to build a deformable mirror suitable for space-based operation in systems for high-resolution imaging. The prototype DM will be...

  17. High Resolution Silicon Deformable Mirrors Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal describes a plan to build a prototype small stroke, high precision deformable mirror suitable for space-based operation in systems for high-resolution...

  18. Characterization of La1-xSrxMnO3±d (x = 0.15, d 0) and La1-xSrxCrO3±d (x = 0.2, d 0) Powders by X-ray Powder Diffraction

    DEFF Research Database (Denmark)

    Berg, Rolf; Andersen, Mette M.; Bjerrum, Niels

    1996-01-01

    C, resulting in homogeneous single phased ceramic powders. X-ray diffraction diagrams were taken using copper Ka radiation with a Bragg-Brentano diffractometer. The obtained X-ray diagrams of the synthesised La0.85Sr0.15MnO3±d and La0.8Sr0.2CrO3±d (d 0) powders were compared to data in the literature which...

  19. High-resolution neutron microtomography with noiseless neutron counting detector

    Science.gov (United States)

    Tremsin, A. S.; McPhate, J. B.; Vallerga, J. V.; Siegmund, O. H. W.; Feller, W. B.; Lehmann, E.; Butler, L. G.; Dawson, M.

    2011-10-01

    The improved collimation and intensity of thermal and cold neutron beamlines combined with recent advances in neutron imaging devices enable high-resolution neutron radiography and microtomography, which can provide information on the internal structure of objects not achievable with conventional X-ray imaging techniques. Neutron detection efficiency, spatial and temporal resolution (important for the studies of dynamic processes) and low background count rate are among the crucial parameters defining the quality of radiographic images and tomographic reconstructions. The unique capabilities of neutron counting detectors with neutron-sensitive microchannel plates (MCPs) and with Timepix CMOS readouts providing high neutron detection efficiency (˜70% for cold neutrons), spatial resolutions ranging from 15 to 55 μm and a temporal resolution of ˜1 μs—combined with the virtual absence of readout noise—make these devices very attractive for high-resolution microtomography. In this paper we demonstrate the capabilities of an MCP-Timepix detection system applied to microtomographic imaging, performed at the ICON cold neutron facility of the Paul Scherrer Institute. The high resolution and the absence of readout noise enable accurate reconstruction of texture in a relatively opaque wood sample, differentiation of internal tissues of a fly and imaging of individual ˜400 μm grains in an organic powder encapsulated in a ˜700 μm thick metal casing.

  20. Structure of high-resolution NMR spectra

    CERN Document Server

    Corio, PL

    2012-01-01

    Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

  1. High-Resolution Reciprocal Space Mapping for Characterizing Deformation Structures

    DEFF Research Database (Denmark)

    Pantleon, Wolfgang; Wejdemann, Christian; Jakobsen, Bo

    2014-01-01

    With high-angular resolution three-dimensional X-ray diffraction (3DXRD), quantitative information is gained about dislocation structures in individual grains in the bulk of a macroscopic specimen by acquiring reciprocal space maps. In high-resolution 3D reciprocal space maps of tensile...... dynamics is followed in situ during varying loading conditions by reciprocal space mapping: during uninterrupted tensile deformation, formation of subgrains is observed concurrently with broadening of Bragg reflections shortly after the onset of plastic deformation. When the traction is terminated, stress...

  2. High resolution projection micro stereolithography system and method

    Energy Technology Data Exchange (ETDEWEB)

    Spadaccini, Christopher M.; Farquar, George; Weisgraber, Todd; Gemberling, Steven; Fang, Nicholas; Xu, Jun; Alonso, Matthew; Lee, Howon

    2016-11-15

    A high-resolution P.mu.SL system and method incorporating one or more of the following features with a standard P.mu.SL system using a SLM projected digital image to form components in a stereolithographic bath: a far-field superlens for producing sub-diffraction-limited features, multiple spatial light modulators (SLM) to generate spatially-controlled three-dimensional interference holograms with nanoscale features, and the integration of microfluidic components into the resin bath of a P.mu.SL system to fabricate microstructures of different materials.

  3. Structural refinement of Eu doped CaMgSi{sub 2}O{sub 6} using X-ray powder diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yong-Il [Division of Chemical Metrology Evaluation, Korea Research Institute of Standards and Science, P.O. Box 102, Yuseong, Daejeon 305-600 (Korea, Republic of)]. E-mail: yikim@kriss.re.kr; Nahm, Seung-Hoon [Division of Chemical Metrology Evaluation, Korea Research Institute of Standards and Science, P.O. Box 102, Yuseong, Daejeon 305-600 (Korea, Republic of); Bin Im, Won [Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, Daejeon 305-701 (Korea, Republic of); Young Jeon, Duk [Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, Daejeon 305-701 (Korea, Republic of); Gregory, Duncan H. [School of Chemistry, University of Nottingham, Nottingham, NG7 2RD (United Kingdom)

    2005-10-15

    Blue-color emitting material, CaMgSi{sub 2}O{sub 6}:Eu{sup 2+} (CMS:Eu{sup 2+}), was synthesized by a normal solid state reaction using CaCO{sub 3}, MgO, SiO{sub 2} and EuF{sub 3} as starting materials. The Rietveld method was employed to quantitatively determine the structural parameters of synthesized CMS:Eu{sup 2+}. The structural parameters for CMS:Eu{sup 2+} were successfully determined by Rietveld refinement using X-ray powder diffraction data. The final weighted R-factor, R{sub wp}, was 9.22% and the goodness-of-fit indicator, S(=R{sub wp}/R{sub e}), was 1.45. The synthesized sample consisted of CMS:Eu{sup 2+} and SiO{sub 2} (cristobalite) phases with refined phase fractions of 89.18(1)% and 10.82(2)%, respectively. Doped Eu{sup 2+} ions occupied the Ca sites (4e) and replaced 1.0% of the Ca{sup 2+} ions. The refined model of CMS:Eu{sup 2+} describes a structure in monoclinic space group C 2/c with Z=4, a=9.7474(2)A, b=8.9384(2)A, c=5.2490(1)A and {beta}=105.87 (1){sup o}.

  4. Functional biocompatible magnetite-cellulose nanocomposite fibrous networks: Characterization by fourier transformed infrared spectroscopy, X-ray powder diffraction and field emission scanning electron microscopy analysis.

    Science.gov (United States)

    Habibi, Neda

    2015-02-05

    The preparation and characterization of functional biocompatible magnetite-cellulose nano-composite fibrous material is described. Magnetite-cellulose nano-composite was prepared by a combination of the solution-based formation of magnetic nano-particles and subsequent coating with amino celluloses. Characterization was accomplished using X-ray powder diffraction (XRD), fourier transformed infrared (FTIR) and field emission scanning electron microscopy (FESEM) analysis. The peaks of Fe3O4 in the XRD pattern of nanocomposite confirm existence of the nanoparticles in the amino cellulose matrix. Magnetite-cellulose particles exhibit an average diameter of roughly 33nm as demonstrated by field emission scanning electron microscopy. Magnetite nanoparticles were irregular spheres dispersed in the cellulose matrix. The vibration corresponding to the NCH3 functional group about 2850cm(-1) is assigned in the FTIR spectra. Functionalized magnetite-cellulose nano-composite polymers have a potential range of application as targeted drug delivery system in biomedical field. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Crystal structures of spinel-type Na2MoO4 and Na2WO4 revisited using neutron powder diffraction

    Directory of Open Access Journals (Sweden)

    A. Dominic Fortes

    2015-06-01

    Full Text Available Time-of-flight neutron powder diffraction data have been collected from Na2MoO4 and Na2WO4 to a resolution of sin (θ/λ = 1.25 Å−1, which is substantially better than the previous analyses using Mo Kα X-rays, providing roughly triple the number of measured reflections with respect to the previous studies [Okada et al. (1974. Acta Cryst. B30, 1872–1873; Bramnik & Ehrenberg (2004. Z. Anorg. Allg. Chem. 630, 1336–1341]. The unit-cell parameters are in excellent agreement with literature data [Swanson et al. (1962. NBS Monograph No. 25, sect. 1, pp. 46–47] and the structural parameters for the molybdate agree very well with those of Bramnik & Ehrenberg (2004. However, the tungstate structure refinement of Okada et al. (1974 stands apart as being conspicuously inaccurate, giving significantly longer W—O distances, 1.819 (8 Å, and shorter Na—O distances, 2.378 (8 Å, than are reported here or in other simple tungstates. As such, this work represents an order-of-magnitude improvement in precision for sodium molybdate and an equally substantial improvement in both accuracy and precision for sodium tungstate. Both compounds adopt the spinel structure type. The Na+ ions have site symmetry .-3m and are in octahedral coordination while the transition metal atoms have site symmetry -43m and are in tetrahedral coordination.

  6. Obtaining aluminas from the thermal decomposition of their different precursors: An {sup 27}Al MAS NMR and X-ray powder diffraction studies

    Energy Technology Data Exchange (ETDEWEB)

    Chagas, L.H.; De Carvalho, G.S.G. [Universidade Federal de Juiz de Fora, Departamento de Química, Grupo de Físico-Química de Sólidos e Interfaces, 36036-330 Juiz de Fora, MG (Brazil); San Gil, R.A.S. [Universidade Federal do Rio de Janeiro, Instituto de Química, 21949-900 Rio de Janeiro, RJ (Brazil); Chiaro, S.S.X. [PETROBRAS-CENPES, 21941-915 Rio de Janeiro, RJ (Brazil); Leitão, A.A. [Universidade Federal de Juiz de Fora, Departamento de Química, Grupo de Físico-Química de Sólidos e Interfaces, 36036-330 Juiz de Fora, MG (Brazil); Diniz, R., E-mail: renata.diniz@ufjf.edu.br [Universidade Federal de Juiz de Fora, Departamento de Química, Grupo de Físico-Química de Sólidos e Interfaces, 36036-330 Juiz de Fora, MG (Brazil)

    2014-01-01

    Graphical abstract: - Highlights: • We synthesized three precursors of alumina from different methods. • The calcination of the precursors generated several alumina polymorphs. • XRD and NMR were used for structural investigation of the polymorphs. • The synthesis route determines the structural and textural properties of the solids. - Abstract: A commercial sample of Boehmite was used as precursor of alumina polymorphs. For comparison, three other precursors were synthesized from different methods. Particularly, the use of excess of urea promoted a very crystalline form of basic aluminum carbonate. The characteristics of the four precursors were investigated by thermal, vibrational and X-ray powder diffraction (XRD) analysis. Additionally, the nuclear magnetic resonance, with magic angle spinning ({sup 27}Al MAS NMR), was used to verify the coordination of aluminum cations. Each precursor was calcined at various temperatures generating alumina polymorphs, which were structurally analyzed by XRD and {sup 27}Al MAS NMR. Due to interest in catalysis supports, special attention was given to the γ-Al{sub 2}O{sub 3} phase, which in addition to structural investigation was subjected to textural analysis. The results showed that, from different synthesis procedures and common route of calcination, one can obtain materials with the same composition but with different structural and textural properties, which in turn can significantly influence the performance of a supported catalyst.

  7. Investigation by laser induced breakdown spectroscopy, X-ray fluorescence and X-ray powder diffraction of the chemical composition of white clay ceramic tiles from Veliki Preslav

    Energy Technology Data Exchange (ETDEWEB)

    Blagoev, K., E-mail: kblagoev@issp.bas.bg [Institute of Solid State Physics, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee, 1784 Sofia (Bulgaria); Grozeva, M., E-mail: margo@issp.bas.bg [Institute of Solid State Physics, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee, 1784 Sofia (Bulgaria); Malcheva, G., E-mail: bobcheva@issp.bas.bg [Institute of Solid State Physics, Bulgarian Academy of Sciences, 72 Tzarigradsko Chaussee, 1784 Sofia (Bulgaria); Neykova, S., E-mail: sevdalinaneikova@abv.bg [National Institute of Archaeology with Museum, Bulgarian Academy of Sciences, 2 Saborna, 1000 Sofia (Bulgaria)

    2013-01-01

    The paper presents the results of the application of laser induced breakdown spectroscopy, X-ray fluorescence spectrometry, and X-ray powder diffraction in assessing the chemical and phase composition of white clay decorative ceramic tiles from the medieval archaeological site of Veliki Preslav, a Bulgarian capital in the period 893–972 AC, well-known for its original ceramic production. Numerous white clay ceramic tiles with highly varied decoration, produced for wall decoration of city's churches and palaces, were found during the archaeological excavations in the old capital. The examination of fourteen ceramic tiles discovered in one of the city's monasteries is aimed at characterization of the chemical profile of the white-clay decorative ceramics produced in Veliki Preslav. Combining different methods and comparing the obtained results provides complementary information regarding the white-clay ceramic production in Veliki Preslav and complete chemical characterization of the examined artefacts. - Highlights: ► LIBS, XRF and XRD analyses of medieval white-clay ceramic tiles fragments are done. ► Different elements and phases, presented in the ceramics fragments were determined. ► Differences in the tiles' raw material mineral composition are found. ► Information of the tiles' production process and the raw clay deposits is obtained.

  8. Antisolvent crystallization of pharmaceutical excipients from aqueous solutions and the use of preferred orientation in phase identification by powder X-ray diffraction.

    Science.gov (United States)

    Crisp, J L; Dann, S E; Blatchford, C G

    2011-04-18

    Crystallization of lactose from 10% (w/v) aqueous solutions was investigated with the use of polar antisolvents. Crystal growth was observed at 50-65% antisolvent content and showed a morphological transition from a polyhedral to needle-like habit with increasing antisolvent content, which coincided with a polymorphic transition from alpha lactose monohydrate (Lα·H(2)O) to beta lactose (Lβ). Where dehydrating antisolvents were employed such as methanol and ethanol, evidence of Lα·H(2)O dehydration to form Lα(S) was also observed at 95% antisolvent content. Powder X-ray diffraction (PXRD) analysis of the crystals highlighted the preferred orientation effects exhibited by large crystals of this kind, indicating the difficulties experienced by the non-specialist when performing phase identification of lactose polymorphs. The same studies were applied to raffinose pentahydrate, trehalose dihydrate and mannitol to assess the effects of crystallization conditions on other pharmaceutical excipients. Copyright © 2011 Elsevier B.V. All rights reserved.

  9. Quantitative assessment of copper proteinates used as animal feed additives using ATR-FTIR spectroscopy and powder X-ray diffraction (PXRD) analysis.

    Science.gov (United States)

    Cantwell, Caoimhe A; Byrne, Laurann A; Connolly, Cathal D; Hynes, Michael J; McArdle, Patrick; Murphy, Richard A

    2017-08-01

    The aim of the present work was to establish a reliable analytical method to determine the degree of complexation in commercial metal proteinates used as feed additives in the solid state. Two complementary techniques were developed. Firstly, a quantitative attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic method investigated modifications in vibrational absorption bands of the ligand on complex formation. Secondly, a powder X-ray diffraction (PXRD) method to quantify the amount of crystalline material in the proteinate product was developed. These methods were developed in tandem and cross-validated with each other. Multivariate analysis (MVA) was used to develop validated calibration and prediction models. The FTIR and PXRD calibrations showed excellent linearity (R2 > 0.99). The diagnostic model parameters showed that the FTIR and PXRD methods were robust with a root mean square error of calibration RMSEC ≤3.39% and a root mean square error of prediction RMSEP ≤7.17% respectively. Comparative statistics show excellent agreement between the MVA packages assessed and between the FTIR and PXRD methods. The methods can be used to determine the degree of complexation in complexes of both protein hydrolysates and pure amino acids.

  10. Plumbonacrite identified by X-ray powder diffraction tomography as a missing link during degradation of red lead in a Van Gogh painting.

    Science.gov (United States)

    Vanmeert, Frederik; Van der Snickt, Geert; Janssens, Koen

    2015-03-16

    Red lead, a semiconductor pigment used by artists since antiquity, is known to undergo several discoloration phenomena. These transformations are either described as darkening of the pigment caused by the formation of either plattnerite (β-PbO2) or galena (PbS) or as whitening by which red lead is converted into anglesite (PbSO4) or (hydro)cerussite (2 PbCO3⋅Pb(OH)2; PbCO3). X-ray powder diffraction tomography, a powerful analytical method that allows visualization of the internal distribution of different crystalline compounds in complex samples, was used to investigate a microscopic paint sample from a Van Gogh painting. A very rare lead mineral, plumbonacrite (3 PbCO3⋅Pb(OH)2⋅PbO), was revealed to be present. This is the first reported occurrence of this compound in a painting dating from before the mid 20th century. It constitutes the missing link between on the one hand the photoinduced reduction of red lead and on the other hand (hydro)cerussite, and thus sheds new light on the whitening of red lead. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Progress in high-resolution x-ray holographic microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, C.; Kirz, J.; Howells, M.; McQuaid, K.; Rothman, S.; Feder, R.; Sayre, D.

    1987-07-01

    Among the various types of x-ray microscopes that have been demonstrated, the holographic microscope has had the largest gap between promise and performance. The difficulties of fabricating x-ray optical elements have led some to view holography as the most attractive method for obtaining the ultimate in high resolution x-ray micrographs; however, we know of no investigations prior to 1987 that clearly demonstrated submicron resolution in reconstructed images. Previous efforts suffered from problems such as limited resolution and dynamic range in the recording media, low coherent x-ray flux, and aberrations and diffraction limits in visible light reconstruction. We have addressed the recording limitations through the use of an undulator x-ray source and high-resolution photoresist recording media. For improved results in the readout and reconstruction steps, we have employed metal shadowing and transmission electron microscopy, along with numerical reconstruction techniques. We believe that this approach will allow holography to emerge as a practical method of high-resolution x-ray microscopy. 30 refs., 4 figs.

  12. Adaptive optics high resolution spectroscopy: present status and future direction

    Energy Technology Data Exchange (ETDEWEB)

    Alcock, C; Angel, R; Ciarlo, D; Fugate, R O; Ge, J; Kuzmenko, P; Lloyd-Hart, M; Macintosh, B; Najita, J; Woolf, N

    1999-07-27

    High resolution spectroscopy experiments with visible adaptive optics (AO) telescopes at Starfire Optical Range and Mt. Wilson have demonstrated that spectral resolution can be routinely improved by a factor of - 10 over the seeing-limited case with no extra light losses at visible wavelengths. With large CCDs now available, a very wide wavelength range can be covered in a single exposure. In the near future, most large ground-based telescopes will be equipped with powerful A0 systems. Most of these systems are aimed primarily at diffraction-limited operation in the near IR. An exciting new opportunity will thus open up for high resolution IR spectroscopy. Immersion echelle gratings with much coarser grooves being developed by us at LLNL will play a critical role in achieving high spectral resolution with a compact and low cost IR cryogenically cooled spectrograph and simultaneous large wavelength coverage on relatively small IR detectors. We have constructed a new A0 optimized spectrograph at Steward Observatory to provide R = 200,000 in the optical, which is being commissioned at the Starfire Optical Range 3.5m telescope. We have completed the optical design of the LLNL IR Immersion Spectrograph (LISPEC) to take advantage of improved silicon etching technology. Key words: adaptive optics, spectroscopy, high resolution, immersion gratings

  13. Dehydrogenation kinetics of air-exposed MgH2/Mg2Cu and MgH2/MgCu2 studied with in situ X-ray powder diffraction

    DEFF Research Database (Denmark)

    Andreasen, A.; Sørensen, M.B.; Burkarl, R.

    2006-01-01

    The dehydrogenation kinetics of air exposed samples of MgH2/Mg2Cu and MgH2/MgCu2 have been studied with in situ time resolved X-ray powder diffraction. The X-ray setup enabled the recording of full diffraction patterns within 150 s, thereby allowing the study of structural changes combined...... with simultaneous extraction of kinetic parameters. Phase fractions as a function of time and temperature were derived from series of consecutive diffraction patterns by numerical integration of selected diffraction peaks. The apparent activation energy for the dehydrogenation of the MgH2/Mg2Cu, and MgH2/MgCu2...

  14. Crystal structure of human tooth enamel studied by neutron diffraction

    Science.gov (United States)

    Ouladdiaf, Bachir; Rodriguez-Carvajal, Juan; Goutaudier, Christelle; Ouladdiaf, Selma; Grosgogeat, Brigitte; Pradelle, Nelly; Colon, Pierre

    2015-02-01

    Crystal structure of human tooth enamel was investigated using high-resolution neutron powder diffraction. Excellent agreement between observed and refined patterns is obtained, using the hexagonal hydroxyapatite model for the tooth enamel, where a large hydroxyl deficiency ˜70% is found in the 4e site. Rietveld refinements method combined with the difference Fourier maps have revealed, however, that the hydroxyl ions are not only disordered along the c-axis but also within the basal plane. Additional H ions located at the 6h site and forming HPO42- anions were found.

  15. Qualitative interpretation of high resolution aeromagnetic (HRAM ...

    African Journals Online (AJOL)

    Qualitative interpretation of high resolution aeromagnetic (HRAM) data from some parts of offshore Niger delta, Nigeria. ... Open Access DOWNLOAD FULL TEXT ... The original raster map, obtained from the Nigeria Geological Survey Agency (NGSA) in half degree sheet, was subjected to qualitative data analysis using the ...

  16. A High-Resolution Stopwatch for Cents

    Science.gov (United States)

    Gingl, Z.; Kopasz, K.

    2011-01-01

    A very low-cost, easy-to-make stopwatch is presented to support various experiments in mechanics. The high-resolution stopwatch is based on two photodetectors connected directly to the microphone input of a sound card. Dedicated free open-source software has been developed and made available to download. The efficiency is demonstrated by a free…

  17. Compressive sensing for high resolution radar imaging

    NARCIS (Netherlands)

    Anitori, L.; Otten, M.P.G.; Hoogeboom, P.

    2010-01-01

    In this paper we present some preliminary results on the application of Compressive Sensing (CS) to high resolution radar imaging. CS is a recently developed theory which allows reconstruction of sparse signals with a number of measurements much lower than what is required by the Shannon sampling

  18. Compact high-resolution spectral phase shaper

    NARCIS (Netherlands)

    Postma, S.; van der Walle, P.; Offerhaus, Herman L.; van Hulst, N.F.

    2005-01-01

    The design and operation of a high-resolution spectral phase shaper with a footprint of only 7×10 cm2 is presented. The liquid-crystal modulator has 4096 elements. More than 600 independent degrees of freedom can be positioned with a relative accuracy of 1 pixel. The spectral shaping of pulses from

  19. High resolution analysis of interphase chromosome domains

    NARCIS (Netherlands)

    Visser, A. E.; Jaunin, F.; Fakan, S.; Aten, J. A.

    2000-01-01

    Chromosome territories need to be well defined at high resolution before functional aspects of chromosome organization in interphase can be explored. To visualize chromosomes by electron microscopy (EM), the DNA of Chinese hamster fibroblasts was labeled in vivo with thymidine analogue BrdU. Labeled

  20. Assessment of drug content uniformity of atropine sulfate triturate by liquid chromatography-tandem mass spectrometry, X-ray powder diffraction, and Raman chemical imaging.

    Science.gov (United States)

    Moriyama, Kei; Takami, Yoichiro; Uozumi, Natsuki; Okuda, Akiko; Yamashita, Mayumi; Yokomizo, Rie; Shimada, Kenichi; Egawa, Takashi; Kamei, Takehito; Takayanagi, Kazunobu

    2016-01-01

    Atropine sulfate is an anticholinergic agent for treatment of hypertrophic pyloric stenosis and is orally administrated as a triturate with lactose hydrate. Because of the low safety margin of atropine sulfate, triturate uniformity is a key safety factor. In this study, we assessed the uniformity of atropine sulfate in 1000-fold triturates prepared by wet mixing and dry mixing methods and discussed the cause of the difference in uniformity between two preparation methods. A 1000-fold triturate of atropine sulfate with lactose hydrate was prepared by two different methods: wet mixing and dry mixing. The wet mixing was performed according to Kurashiki Central Hospital protocol and the dry mixing was a simple physical mixing by a rocking mixer. The uniformity of atropine sulfate content in aliquots of a 1000-fold triturate with lactate hydrate was assessed by liquid chromatography-tandem mass spectrometry (LC-MS/MS) quantification. Solid-state analyses of the triturates by Raman chemical imaging and X-ray powder diffraction (XRPD) were performed to investigate the difference in uniformity. The LC-MS/MS quantification showed that the uniformity of atropine sulfate in the 1000-fold triturate was excellent for wet mixing but was significantly variable for dry mixing. On the basis of the Raman chemical imaging and XRPD analyses, it was indicated that an amorphous thin film of atropine sulfate coated the surfaces of the lactose hydrate particles during wet mixing and contributed to the uniformity of the triturate. In contrast, clusters of the crystalline atropine sulfate were found in the dry mixing samples. The results showed that better atropine sulfate triturate uniformity was achieved using the wet mixing method rather than the dry method and the cause of the uniformity difference between two mixing methods was indicated by the multilateral assessment.

  1. Combining selective sequential extractions, X-Ray Absorption Spectroscopy, and X-Ray Powder Diffraction for Cu (II speciation in soil and mineral phases

    Directory of Open Access Journals (Sweden)

    Tatiana Minkina

    2017-04-01

    Full Text Available Interaction of Cu (II ions with the matrix of soil and mineral phases of layered silicates was assessed by the Miller method of selective sequential fractionation and a set of synchrotron X-ray methods, including X-ray powder diffraction (XRD and X-ray absorption spectroscopy (XANES. It was shown that the input of Cu into Calcic Chernozem in the form of monoxide (CuO and salt (Cu(NO32 affected the transformation of Cu compounds and their affinity for metal-bearing phases. It was found that the contamination of soil with a soluble Cu(II salt increased the bioavailability of the metal and the role of organic matter and Fe oxides in the fixation and retention of Cu. During the incubation of soil with Cu monoxide, the content of the metal in the residual fractions increased, which was related to the possible entry of Cu in the form of isomorphic impurities into silicates, as well as to the incomplete dissolution of exogenic compounds at the high level of their input into the soil. A mechanism for the structural transformation of minerals was revealed, which showed that ion exchange processes result in the sorption of Cu (II ions from the saturated solution by active sites on the internal surface of the lattice of dioctahedral aluminosilicates. Surface hydroxyls at the octahedral aluminum atom play the main role. X-ray diagnostics revealed that excess Cu(II ions are removed from the system due to the formation and precipitation of coarsely crystalline Cu(NO3(OH3.

  2. X-ray powder diffraction-based method for the determination of the glass content and mineralogy of coal (co)-combustion fly ashes

    Energy Technology Data Exchange (ETDEWEB)

    O. Font; N. Moreno; X. Querol; M. Izquierdo; E. Alvarez; S. Diez; J. Elvira; D. Antenucci; H. Nugteren; F. Plana; A. Lopez; P. Coca; F.G. Pena [Institute of Environmental Assessment and Water Research (IDA-CSIC), Barcelona (Spain)

    2010-10-15

    The relevance of Al-Si glass in a number of fly ash applications, such as use as a pozzolanic material, zeolite synthesis, and geopolymer production, necessitated research towards investigation of methods for an easy and consistent determination of the glass content in this coal (co)-combustion by-products. A glass standard-addition X-ray powder diffraction (XRD)-based method is proposed in this study as an alternative to the non straightforward procedure of conventional methods for determining the amorphous components, mainly by difference of the total mass and the addition of quantified crystalline species. A >99% Al-Si glass slag sample was selected as a standard for glass. A number of glass standard/fly ash mixtures were performed on Fluidized Bed Combustion (FBC) and pulverized coal combustion (PCC) fly ashes and subsequently analyzed by XRD. The method provides results closer to quantitative proportions of the Al-Si amorphous material of this (co)-combustion by-product, with a range of values <3% when compared with those obtained by the conventional Reference Intensity Method (RIM) method, demonstrating suitability and consistence of the procedure. The mineralogy of FBC and PCC fly ash was also investigated using the RIM method. The occurrence and proportions of the crystalline components in fly ash are in line with the combustion technology and their inherent operational parameters, especially the (co)-combustion temperature. The FBC fly ash shows the highest content of relic phases from feed coal (quartz, illite, calcite, and feldspars) and lower contents of amorphous components. The PCC fly ash are characterized by the highest proportions of mullite and Al-Si glass and low contents of quartz an other relict phases. The occurrence and distribution of anhydrite and Fe-oxide species appears to be related to the content of Ca and Fe in the feed fuels, showing slightly higher contents in FBC than in PCC fly ash. 26 refs., 3 figs., 5 tabs.

  3. High resolution technology for FPD lithography tools

    Science.gov (United States)

    Yabu, Nobuhiko; Nagai, Yoshiyuki; Tomura, Satoshi; Yoshikawa, Tomohiro

    2013-06-01

    As the resolution of LCD panels adapted for Smartphone and Tablet PC rapidly becomes higher, the performance needed for lithography tools to produce them also becomes higher than ever. To respond to such needs, we have developed new lithography tools for mass production of high resolution LCD panels. We have executed various exposure tests to evaluate their performance. In this paper, we present the results of these tests. By employing higher NA projection optics, high resolution (2.0μm and under) has been achieved. We also present the effect of special illumination and the difference in profile between kinds of photoresist. Furthermore, we also refer what will be needed for masks and blanks in the next generation. To achieve even higher resolution, it is necessary for masks and blanks to have high flatness, low level of defects and small linewidth error.

  4. Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

    Science.gov (United States)

    Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.

    2003-01-01

    Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.

  5. Radiation length imaging with high resolution telescopes

    OpenAIRE

    Stolzenberg, U.; Frey, A.; Schwenker, B; Wieduwilt, P.; Marinas, C; Lütticke, F.

    2016-01-01

    The construction of low mass vertex detectors with a high level of system integration is of great interest for next generation collider experiments. Radiation length images with a sufficient spatial resolution can be used to measure and disentangle complex radiation length $X$/$X_0$ profiles and contribute to the understanding of vertex detector systems. Test beam experiments with multi GeV particle beams and high-resolution tracking telescopes provide an opportunity to obtain precise 2D imag...

  6. High Resolution Spectra of HE Detonations

    Science.gov (United States)

    1980-07-07

    region. We shall assume for present purposes that the emissivity of the detonation products of a 50 to 100 lb HE explosion is also in the viciity of... speed . Incorporated in the emulsion layers are dye forming coup- lers which react simultaneously during I , developmentto produce a separate dye S...Best Available Cop 1~EV~ AFTAC-TR-80-24 HIGH RESOLUTION SPECTRA OF HE DETONATIONS HSS Inc 2 Alfred Circle Bedford, MA 01730 7 JULY 1980 AUG 4 9D

  7. High resolution NMR theory and chemical applications

    CERN Document Server

    Becker, Edwin D

    1969-01-01

    High Resolution NMR: Theory and Chemical Applications focuses on the applications of nuclear magnetic resonance (NMR), as well as chemical shifts, lattices, and couplings. The book first offers information on the theory of NMR, including nuclear spin and magnetic moment, spin lattice relaxation, line widths, saturation, quantum mechanical description of NMR, and ringing. The text then ponders on instrumentation and techniques and chemical shifts. Discussions focus on the origin of chemical shifts, reference compounds, empirical correlations of chemical shifts, modulation and phase detection,

  8. Sharp or broad pulse peak for high resolution instruments? Choice of moderator performance

    Energy Technology Data Exchange (ETDEWEB)

    Arai, M. [High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan); Watanabe, N.; Teshigawara, M. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment] [and others

    2001-03-01

    We demonstrate a concept how we should choose moderator performance to realize required performance for instruments. Neutron burst pulse can be characterized with peak intensity, peak width and tail. Those can be controllable by designing moderator, i.e. material, temperature, shape, decoupling, poisoning and having premoderator. Hence there are large number of variable parameters to be determined. Here we discuss the required moderator performance for some typical examples, i.e. high resolution powder instrument, chopper instrument, high resolution back scattering machine. (author)

  9. Ultra-high resolution coded wavefront sensor

    KAUST Repository

    Wang, Congli

    2017-06-08

    Wavefront sensors and more general phase retrieval methods have recently attracted a lot of attention in a host of application domains, ranging from astronomy to scientific imaging and microscopy. In this paper, we introduce a new class of sensor, the Coded Wavefront Sensor, which provides high spatio-temporal resolution using a simple masked sensor under white light illumination. Specifically, we demonstrate megapixel spatial resolution and phase accuracy better than 0.1 wavelengths at reconstruction rates of 50 Hz or more, thus opening up many new applications from high-resolution adaptive optics to real-time phase retrieval in microscopy.

  10. High resolution extremity CT for biomechanics modeling

    Energy Technology Data Exchange (ETDEWEB)

    Ashby, A.E.; Brand, H.; Hollerbach, K.; Logan, C.M.; Martz, H.E.

    1995-09-23

    With the advent of ever more powerful computing and finite element analysis (FEA) capabilities, the bone and joint geometry detail available from either commercial surface definitions or from medical CT scans is inadequate. For dynamic FEA modeling of joints, precise articular contours are necessary to get appropriate contact definition. In this project, a fresh cadaver extremity was suspended in parafin in a lucite cylinder and then scanned with an industrial CT system to generate a high resolution data set for use in biomechanics modeling.

  11. Detailed mitochondrial phenotyping by high resolution metabolomics.

    Directory of Open Access Journals (Sweden)

    James R Roede

    Full Text Available Mitochondrial phenotype is complex and difficult to define at the level of individual cell types. Newer metabolic profiling methods provide information on dozens of metabolic pathways from a relatively small sample. This pilot study used "top-down" metabolic profiling to determine the spectrum of metabolites present in liver mitochondria. High resolution mass spectral analyses and multivariate statistical tests provided global metabolic information about mitochondria and showed that liver mitochondria possess a significant phenotype based on gender and genotype. The data also show that mitochondria contain a large number of unidentified chemicals.

  12. A Portable, High Resolution, Surface Measurement Device

    Science.gov (United States)

    Ihlefeld, Curtis M.; Burns, Bradley M.; Youngquist, Robert C.

    2012-01-01

    A high resolution, portable, surface measurement device has been demonstrated to provide micron-resolution topographical plots. This device was specifically developed to allow in-situ measurements of defects on the Space Shuttle Orbiter windows, but is versatile enough to be used on a wide variety of surfaces. This paper discusses the choice of an optical sensor and then the decisions required to convert a lab bench optical measurement device into an ergonomic portable system. The necessary trade-offs between performance and portability are presented along with a description of the device developed to measure Orbiter window defects.

  13. High-Resolution PET Detector. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Karp, Joel

    2014-03-26

    The objective of this project was to develop an understanding of the limits of performance for a high resolution PET detector using an approach based on continuous scintillation crystals rather than pixelated crystals. The overall goal was to design a high-resolution detector, which requires both high spatial resolution and high sensitivity for 511 keV gammas. Continuous scintillation detectors (Anger cameras) have been used extensively for both single-photon and PET scanners, however, these instruments were based on NaI(Tl) scintillators using relatively large, individual photo-multipliers. In this project we investigated the potential of this type of detector technology to achieve higher spatial resolution through the use of improved scintillator materials and photo-sensors, and modification of the detector surface to optimize the light response function.We achieved an average spatial resolution of 3-mm for a 25-mm thick, LYSO continuous detector using a maximum likelihood position algorithm and shallow slots cut into the entrance surface.

  14. Principles of high resolution NMR in solids

    CERN Document Server

    Mehring, Michael

    1983-01-01

    The field of Nuclear Magnetic Resonance (NMR) has developed at a fascinating pace during the last decade. It always has been an extremely valuable tool to the organic chemist by supplying molecular "finger print" spectra at the atomic level. Unfortunately the high resolution achievable in liquid solutions could not be obtained in solids and physicists and physical chemists had to live with unresolved lines open to a wealth of curve fitting procedures and a vast amount of speculations. High resolution NMR in solids seemed to be a paradoxon. Broad structure­ less lines are usually encountered when dealing with NMR in solids. Only with the recent advent of mUltiple pulse, magic angle, cross-polarization, two-dimen­ sional and multiple-quantum spectroscopy and other techniques during the last decade it became possible to resolve finer details of nuclear spin interactions in solids. I have felt that graduate students, researchers and others beginning to get involved with these techniques needed a book which trea...

  15. Limiting liability via high resolution image processing

    Energy Technology Data Exchange (ETDEWEB)

    Greenwade, L.E.; Overlin, T.K.

    1996-12-31

    The utilization of high resolution image processing allows forensic analysts and visualization scientists to assist detectives by enhancing field photographs, and by providing the tools and training to increase the quality and usability of field photos. Through the use of digitized photographs and computerized enhancement software, field evidence can be obtained and processed as `evidence ready`, even in poor lighting and shadowed conditions or darkened rooms. These images, which are most often unusable when taken with standard camera equipment, can be shot in the worst of photographic condition and be processed as usable evidence. Visualization scientists have taken the use of digital photographic image processing and moved the process of crime scene photos into the technology age. The use of high resolution technology will assist law enforcement in making better use of crime scene photography and positive identification of prints. Valuable court room and investigation time can be saved and better served by this accurate, performance based process. Inconclusive evidence does not lead to convictions. Enhancement of the photographic capability helps solve one major problem with crime scene photos, that if taken with standard equipment and without the benefit of enhancement software would be inconclusive, thus allowing guilty parties to be set free due to lack of evidence.

  16. High-Resolution Scintimammography: A Pilot Study

    Energy Technology Data Exchange (ETDEWEB)

    Rachel F. Brem; Joelle M. Schoonjans; Douglas A. Kieper; Stan Majewski; Steven Goodman; Cahid Civelek

    2002-07-01

    This study evaluated a novel high-resolution breast-specific gamma camera (HRBGC) for the detection of suggestive breast lesions. Methods: Fifty patients (with 58 breast lesions) for whom a scintimammogram was clinically indicated were prospectively evaluated with a general-purpose gamma camera and a novel HRBGC prototype. The results of conventional and high-resolution nuclear studies were prospectively classified as negative (normal or benign) or positive (suggestive or malignant) by 2 radiologists who were unaware of the mammographic and histologic results. All of the included lesions were confirmed by pathology. Results: There were 30 benign and 28 malignant lesions. The sensitivity for detection of breast cancer was 64.3% (18/28) with the conventional camera and 78.6% (22/28) with the HRBGC. The specificity with both systems was 93.3% (28/30). For the 18 nonpalpable lesions, sensitivity was 55.5% (10/18) and 72.2% (13/18) with the general-purpose camera and the HRBGC, respectively. For lesions 1 cm, 7 of 15 were detected with the general-purpose camera and 10 of 15 with the HRBGC. Four lesions (median size, 8.5 mm) were detected only with the HRBGC and were missed by the conventional camera. Conclusion: Evaluation of indeterminate breast lesions with an HRBGC results in improved sensitivity for the detection of cancer, with greater improvement shown for nonpalpable and 1-cm lesions.

  17. In-situ investigations of structural changes during cyclic loading by high resolution reciprocal space mapping

    DEFF Research Database (Denmark)

    Diederichs, Annika M.; Thiel, Felix; Lienert, Ulrich

    2017-01-01

    dislocation structures can be identified using advanced electron microscopy and synchrotron techniques. A detailed characterization of the microstructure during cyclic loading by in-situ monitoring the internal structure within individual grains with high energy x-rays can help to understand and predict...... the materials behavior during cyclic deformation and to improve the material design. While monitoring macroscopic stress and strain during cyclic loading, reciprocal space maps of diffraction peaks from single grains are obtained with high resolution. High Resolution Reciprocal Space Mapping was applied...

  18. Crystal structure and polymorphism of NaSrVO4: the first A I B II X V O4 larnite-related structure from X-ray powder diffraction data

    Science.gov (United States)

    Nénert, Gwilherm; O'Meara, Paul; Degen, Thomas

    2017-07-01

    The previously unknown crystal structure of sodium strontium vanadate, NaSrVO_4, is determined and refined from laboratory X-ray powder diffraction data. The title compound exhibits the larnite β{-}rm{Ca}_2rm{SiO}_4 structure. This is the first report of such chemistry rm{A}Irm{B}^{II}rm{XO}4, which exhibits this structural type. rm{NaSrVO}_4 exhibits 2 first-order-phase transitions above room temperature towards, respectively, an orthorhombic phase and an α{-}rm{Ca}_2rm{SiO}_4 hexagonal-related structure.

  19. High-Resolution Broadband Spectral Interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Erskine, D J; Edelstein, J

    2002-08-09

    We demonstrate solar spectra from a novel interferometric method for compact broadband high-resolution spectroscopy. The spectral interferometer (SI) is a hybrid instrument that uses a spectrometer to externally disperse the output of a fixed-delay interferometer. It also has been called an externally dispersed interferometer (EDI). The interferometer can be used with linear spectrometers for imaging spectroscopy or with echelle spectrometers for very broad-band coverage. EDI's heterodyning technique enhances the spectrometer's response to high spectral-density features, increasing the effective resolution by factors of several while retaining its bandwidth. The method is extremely robust to instrumental insults such as focal spot size or displacement. The EDI uses no moving parts, such as purely interferometric FTS spectrometers, and can cover a much wider simultaneous bandpass than other internally dispersed interferometers (e.g. HHS or SHS).

  20. Development of New High Resolution Neutron Detector

    Science.gov (United States)

    Mostella, L. D., III; Rajabali, M.; Loureiro, D. P.; Grzywacz, R.

    2017-09-01

    Beta-delayed neutron emission is a prevalent form of decay for neutron-rich nuclei. This occurs when an unstable nucleus undergoes beta decay, but produces a daughter nucleus in an excited state above the neutron separation energy. The daughter nucleus then de-excites by ejecting one or more neutrons. We wish to map the states from which these nuclei decay via neutron spectroscopy using NEXT, a new high resolution neutron detector. NEXT utilizes silicon photomultipliers and 6 mm thick pulse-shape discriminating plastic scintillators, allowing for smaller and more compact modular geometries in the NEXT array. Timing measurements for the detector were performed and a resolution of 893 ps (FWHM) has been achieved so far. Aspects of the detector that were investigated and will be presented here include scintillator geometry, wrapping materials, fitting functions for the digitized signals, and electronic components coupled to the silicon photomultipliers for signal shaping.

  1. High Resolution, High Frame Rate Video Technology

    Science.gov (United States)

    1990-01-01

    Papers and working group summaries presented at the High Resolution, High Frame Rate Video (HHV) Workshop are compiled. HHV system is intended for future use on the Space Shuttle and Space Station Freedom. The Workshop was held for the dual purpose of: (1) allowing potential scientific users to assess the utility of the proposed system for monitoring microgravity science experiments; and (2) letting technical experts from industry recommend improvements to the proposed near-term HHV system. The following topics are covered: (1) State of the art in the video system performance; (2) Development plan for the HHV system; (3) Advanced technology for image gathering, coding, and processing; (4) Data compression applied to HHV; (5) Data transmission networks; and (6) Results of the users' requirements survey conducted by NASA.

  2. High Resolution Regional Climate Simulations over Alaska

    Science.gov (United States)

    Monaghan, A. J.; Clark, M. P.; Arnold, J.; Newman, A. J.; Musselman, K. N.; Barlage, M. J.; Xue, L.; Liu, C.; Gutmann, E. D.; Rasmussen, R.

    2016-12-01

    In order to appropriately plan future projects to build and maintain infrastructure (e.g., dams, dikes, highways, airports), a number of U.S. federal agencies seek to better understand how hydrologic regimes may shift across the country due to climate change. Building on the successful completion of a series of high-resolution WRF simulations over the Colorado River Headwaters and contiguous USA, our team is now extending these simulations over the challenging U.S. States of Alaska and Hawaii. In this presentation we summarize results from a newly completed 4-km resolution WRF simulation over Alaska spanning 2002-2016 at 4-km spatial resolution. Our aim is to gain insight into the thermodynamics that drive key precipitation processes, particularly the extremes that are most damaging to infrastructure.

  3. Constructing a WISE High Resolution Galaxy Atlas

    Science.gov (United States)

    Jarrett, T. H.; Masci, F.; Tsai, C. W.; Petty, S.; Cluver, M.; Assef, Roberto J.; Benford, D.; Blain, A.; Bridge, C.; Donoso, E.; hide

    2012-01-01

    After eight months of continuous observations, the Wide-field Infrared Survey Explorer (WISE) mapped the entire sky at 3.4 micron, 4.6 micron, 12 micron, and 22 micron. We have begun a dedicated WISE High Resolution Galaxy Atlas project to fully characterize large, nearby galaxies and produce a legacy image atlas and source catalog. Here we summarize the deconvolution techniques used to significantly improve the spatial resolution of WISE imaging, specifically designed to study the internal anatomy of nearby galaxies. As a case study, we present results for the galaxy NGC 1566, comparing the WISE enhanced-resolution image processing to that of Spitzer, Galaxy Evolution Explorer, and ground-based imaging. This is the first paper in a two-part series; results for a larger sample of nearby galaxies are presented in the second paper.

  4. High-Resolution Movement EEG Classification

    Directory of Open Access Journals (Sweden)

    Jakub Štastný

    2007-01-01

    Full Text Available The aim of the contribution is to analyze possibilities of high-resolution movement classification using human EEG. For this purpose, a database of the EEG recorded during right-thumb and little-finger fast flexion movements of the experimental subjects was created. The statistical analysis of the EEG was done on the subject's basis instead of the commonly used grand averaging. Statistically significant differences between the EEG accompanying movements of both fingers were found, extending the results of other so far published works. The classifier based on hidden Markov models was able to distinguish between movement and resting states (classification score of 94–100%, but it was unable to recognize the type of the movement. This is caused by the large fraction of other (nonmovement related EEG activities in the recorded signals. A classification method based on advanced EEG signal denoising is being currently developed to overcome this problem.

  5. Improved methods for high resolution electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, J.R.

    1987-04-01

    Existing methods of making support films for high resolution transmission electron microscopy are investigated and novel methods are developed. Existing methods of fabricating fenestrated, metal reinforced specimen supports (microgrids) are evaluated for their potential to reduce beam induced movement of monolamellar crystals of C/sub 44/H/sub 90/ paraffin supported on thin carbon films. Improved methods of producing hydrophobic carbon films by vacuum evaporation, and improved methods of depositing well ordered monolamellar paraffin crystals on carbon films are developed. A novel technique for vacuum evaporation of metals is described which is used to reinforce microgrids. A technique is also developed to bond thin carbon films to microgrids with a polymer bonding agent. Unique biochemical methods are described to accomplish site specific covalent modification of membrane proteins. Protocols are given which covalently convert the carboxy terminus of papain cleaved bacteriorhodopsin to a free thiol. 53 refs., 19 figs., 1 tab.

  6. Sonochemical synthesis of nanoscale mixed-ligands lead(II) coordination polymers as precursors for preparation of Pb(2)(SO(4))O and PbO nanoparticles; thermal, structural and X-ray powder diffraction studies.

    Science.gov (United States)

    Fard-Jahromi, Mohammad Jafar Soltanian; Morsali, Ali

    2010-02-01

    Nano-structures of two new Pb(II) two-dimensional coordination polymers, [Pb(micro-4-pyc)(micro-NCS)(micro-H(2)O)](n) (1) and [Pb(micro-4-pyc)(micro-N(3))(micro-H(2)O)](n) (2), 4-Hpyc=4-pyridinecarboxylic acid were synthesized by a sonochemical method. The new nano-structures were characterized by scanning electron microscopy, X-ray powder diffraction, IR spectroscopy and elemental analyses. Compounds 1 and 2 were structurally characterized by single crystal X-ray diffraction and consist of two-dimensional polymeric units. The thermal stability of compounds 1 and 2 were studied by thermal gravimetric and differential thermal analyses and compared. Pb(2)(SO(4))O and PbO nanoparticles were obtained by calcination of the nano-structures of compounds 1 and 2 at 600 degrees C, respectively.

  7. High resolution multimodal clinical ophthalmic imaging system.

    Science.gov (United States)

    Mujat, Mircea; Ferguson, R Daniel; Patel, Ankit H; Iftimia, Nicusor; Lue, Niyom; Hammer, Daniel X

    2010-05-24

    We developed a multimodal adaptive optics (AO) retinal imager which is the first to combine high performance AO-corrected scanning laser ophthalmoscopy (SLO) and swept source Fourier domain optical coherence tomography (SSOCT) imaging modes in a single compact clinical prototype platform. Such systems are becoming ever more essential to vision research and are expected to prove their clinical value for diagnosis of retinal diseases, including glaucoma, diabetic retinopathy (DR), age-related macular degeneration (AMD), and retinitis pigmentosa. The SSOCT channel operates at a wavelength of 1 microm for increased penetration and visualization of the choriocapillaris and choroid, sites of major disease activity for DR and wet AMD. This AO system is designed for use in clinical populations; a dual deformable mirror (DM) configuration allows simultaneous low- and high-order aberration correction over a large range of refractions and ocular media quality. The system also includes a wide field (33 deg.) line scanning ophthalmoscope (LSO) for initial screening, target identification, and global orientation, an integrated retinal tracker (RT) to stabilize the SLO, OCT, and LSO imaging fields in the presence of lateral eye motion, and a high-resolution LCD-based fixation target for presentation of visual cues. The system was tested in human subjects without retinal disease for performance optimization and validation. We were able to resolve and quantify cone photoreceptors across the macula to within approximately 0.5 deg (approximately 100-150 microm) of the fovea, image and delineate ten retinal layers, and penetrate to resolve features deep into the choroid. The prototype presented here is the first of a new class of powerful flexible imaging platforms that will provide clinicians and researchers with high-resolution, high performance adaptive optics imaging to help guide therapies, develop new drugs, and improve patient outcomes.

  8. High-resolution transcriptome of human macrophages.

    Directory of Open Access Journals (Sweden)

    Marc Beyer

    Full Text Available Macrophages are dynamic cells integrating signals from their microenvironment to develop specific functional responses. Although, microarray-based transcriptional profiling has established transcriptional reprogramming as an important mechanism for signal integration and cell function of macrophages, current knowledge on transcriptional regulation of human macrophages is far from complete. To discover novel marker genes, an area of great need particularly in human macrophage biology but also to generate a much more thorough transcriptome of human M1- and M1-like macrophages, we performed RNA sequencing (RNA-seq of human macrophages. Using this approach we can now provide a high-resolution transcriptome profile of human macrophages under classical (M1-like and alternative (M2-like polarization conditions and demonstrate a dynamic range exceeding observations obtained by previous technologies, resulting in a more comprehensive understanding of the transcriptome of human macrophages. Using this approach, we identify important gene clusters so far not appreciated by standard microarray techniques. In addition, we were able to detect differential promoter usage, alternative transcription start sites, and different coding sequences for 57 gene loci in human macrophages. Moreover, this approach led to the identification of novel M1-associated (CD120b, TLR2, SLAMF7 as well as M2-associated (CD1a, CD1b, CD93, CD226 cell surface markers. Taken together, these data support that high-resolution transcriptome profiling of human macrophages by RNA-seq leads to a better understanding of macrophage function and will form the basis for a better characterization of macrophages in human health and disease.

  9. High-Resolution Transcriptome of Human Macrophages

    Science.gov (United States)

    Xue, Jia; Staratschek-Jox, Andrea; Vorholt, Daniela; Krebs, Wolfgang; Sommer, Daniel; Sander, Jil; Mertens, Christina; Nino-Castro, Andrea; Schmidt, Susanne V.; Schultze, Joachim L.

    2012-01-01

    Macrophages are dynamic cells integrating signals from their microenvironment to develop specific functional responses. Although, microarray-based transcriptional profiling has established transcriptional reprogramming as an important mechanism for signal integration and cell function of macrophages, current knowledge on transcriptional regulation of human macrophages is far from complete. To discover novel marker genes, an area of great need particularly in human macrophage biology but also to generate a much more thorough transcriptome of human M1- and M1-like macrophages, we performed RNA sequencing (RNA-seq) of human macrophages. Using this approach we can now provide a high-resolution transcriptome profile of human macrophages under classical (M1-like) and alternative (M2-like) polarization conditions and demonstrate a dynamic range exceeding observations obtained by previous technologies, resulting in a more comprehensive understanding of the transcriptome of human macrophages. Using this approach, we identify important gene clusters so far not appreciated by standard microarray techniques. In addition, we were able to detect differential promoter usage, alternative transcription start sites, and different coding sequences for 57 gene loci in human macrophages. Moreover, this approach led to the identification of novel M1-associated (CD120b, TLR2, SLAMF7) as well as M2-associated (CD1a, CD1b, CD93, CD226) cell surface markers. Taken together, these data support that high-resolution transcriptome profiling of human macrophages by RNA-seq leads to a better understanding of macrophage function and will form the basis for a better characterization of macrophages in human health and disease. PMID:23029029

  10. Integrated High Resolution Monitoring of Mediterranean vegetation

    Science.gov (United States)

    Cesaraccio, Carla; Piga, Alessandra; Ventura, Andrea; Arca, Angelo; Duce, Pierpaolo; Mereu, Simone

    2017-04-01

    The study of the vegetation features in a complex and highly vulnerable ecosystems, such as Mediterranean maquis, leads to the need of using continuous monitoring systems at high spatial and temporal resolution, for a better interpretation of the mechanisms of phenological and eco-physiological processes. Near-surface remote sensing techniques are used to quantify, at high temporal resolution, and with a certain degree of spatial integration, the seasonal variations of the surface optical and radiometric properties. In recent decades, the design and implementation of global monitoring networks involved the use of non-destructive and/or cheaper approaches such as (i) continuous surface fluxes measurement stations, (ii) phenological observation networks, and (iii) measurement of temporal and spatial variations of the vegetation spectral properties. In this work preliminary results from the ECO-SCALE (Integrated High Resolution Monitoring of Mediterranean vegetation) project are reported. The project was manly aimed to develop an integrated system for environmental monitoring based on digital photography, hyperspectral radiometry , and micrometeorological techniques during three years of experimentation (2013-2016) in a Mediterranean site of Italy (Capo Caccia, Alghero). The main results concerned the analysis of chromatic coordinates indices from digital images, to characterized the phenological patterns for typical shrubland species, determining start and duration of the growing season, and the physiological status in relation to different environmental drought conditions; then the seasonal patterns of canopy phenology, was compared to NEE (Net Ecosystem Exchange) patterns, showing similarities. However, maximum values of NEE and ER (Ecosystem respiration), and short term variation, seemed mainly tuned by inter annual pattern of meteorological variables, in particular of temperature recorded in the months preceding the vegetation green-up. Finally, green signals

  11. Superconducting High Resolution Fast-Neutron Spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Hau, Ionel Dragos [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    Superconducting high resolution fast-neutron calorimetric spectrometers based on 6LiF and TiB{sub 2} absorbers have been developed. These novel cryogenic spectrometers measure the temperature rise produced in exothermal (n, α) reactions with fast neutrons in 6Li and 10B-loaded materials with heat capacity C operating at temperatures T close to 0.1 K. Temperature variations on the order of 0.5 mK are measured with a Mo/Cu thin film multilayer operated in the transition region between its superconducting and its normal state. The advantage of calorimetry for high resolution spectroscopy is due to the small phonon excitation energies kBT on the order of μeV that serve as signal carriers, resulting in an energy resolution ΔE ~ (kBT2C)1/2, which can be well below 10 keV. An energy resolution of 5.5 keV has been obtained with a Mo/Cu superconducting sensor and a TiB2 absorber using thermal neutrons from a 252Cf neutron source. This resolution is sufficient to observe the effect of recoil nuclei broadening in neutron spectra, which has been related to the lifetime of the first excited state in 7Li. Fast-neutron spectra obtained with a 6Li-enriched LiF absorber show an energy resolution of 16 keV FWHM, and a response in agreement with the 6Li(n, α)3H reaction cross section and Monte Carlo simulations for energies up to several MeV. The energy resolution of order of a few keV makes this novel instrument applicable to fast-neutron transmission spectroscopy based on the unique elemental signature provided by the neutron absorption and scattering resonances. The optimization of the energy resolution based on analytical and numerical models of the detector response is discussed in the context of these applications.

  12. Structural study of CaMn{sub 1−x}Mo{sub x}O{sub 3} (0.08 ≤ x ≤ 0.12) system by neutron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Supelano, G.I., E-mail: ivan.supelano@uptc.edu.co [Grupo Física de Materiales, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Parra Vargas, C.A.; Barón-González, A.J. [Grupo Física de Materiales, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Sarmiento Santos, A. [Grupo Superficies Electroquímica y Corrosión, Escuela de Física, Universidad Pedagógica y Tecnológica de Colombia, Tunja (Colombia); Frontera, C. [Institut de Ciència de Materials de Barcelona, CSIC, Campus Universitari de Bellaterra, E-08193, Bellaterra, Barcelona (Spain)

    2016-08-15

    Neutron powder diffraction experiments and magnetic measurements in polycrystalline CaMn{sub 1−x}Mo{sub x}O{sub 3} (x = 0.08, 0.10, 0.12) point towards a possible charge and orbital order in this system. The analysis of structural and magnetic data show that the samples present structural phase transformation from Pnma to P2{sub 1}/m space group and the system has a C-type antiferromagnetic configuration at low temperature. A detailed analysis of the bond distances signals a small Jahn-Teller distortion of only one (x = 0.08) or of the two Mn ions (x = 0.10, 0.12). We identify the partially occupied e{sub g} orbitals and this explains the C-type magnetic structure. - Highlights: • CaMn{sub 1−x}Mo{sub x}O{sub 3} (x = 0.08, 0.10, 0.12) is investigated by neutron powder diffraction. • Analysis of individual Mn-O distances demonstrates the apparition of orbital order. • By symmetry analysis, we find that the low temperature magnetic structure is C-type. • Magnetic interactions foreseen by the orbital order explain the magnetic structure.

  13. High resolution measurement of the glycolytic rate

    Directory of Open Access Journals (Sweden)

    Carla X Bittner

    2010-09-01

    Full Text Available The glycolytic rate is sensitive to physiological activity, hormones, stress, aging and malignant transformation. Standard techniques to measure the glycolytic rate are based on radioactive isotopes, are not able to resolve single cells and have poor temporal resolution, limitations that hamper the study of energy metabolism in the brain and other organs. A new method is described in this article, which makes use of a recently-developed FRET glucose nanosensor to measure the rate of glycolysis in single cells with high temporal resolution. Used in cultured astrocytes, the method showed for the first time that glycolysis can be activated within seconds by a combination of glutamate and K+, supporting a role for astrocytes in neurometabolic and neurovascular coupling in the brain. It was also possible to make a direct comparison of metabolism in neurons and astrocytes lying in close proximity, paving the way to a high-resolution characterization of brain energy metabolism. Single-cell glycolytic rates were also measured in fibroblasts, adipocytes, myoblasts and tumor cells, showing higher rates for undifferentiated cells and significant metabolic heterogeneity within cell types. This method should facilitate the investigation of tissue metabolism at the single-cell level and is readily adaptable for high-throughput analysis.

  14. High resolution quantum metrology via quantum interpolation

    Science.gov (United States)

    Ajoy, Ashok; Liu, Yixiang; Saha, Kasturi; Marseglia, Luca; Jaskula, Jean-Christophe; Cappellaro, Paola

    2016-05-01

    Nitrogen Vacancy (NV) centers in diamond are a promising platform for quantum metrology - in particular for nanoscale magnetic resonance imaging to determine high resolution structures of single molecules placed outside the diamond. The conventional technique for sensing of external nuclear spins involves monitoring the effects of the target nuclear spins on the NV center coherence under dynamical decoupling (the CPMG/XY8 pulse sequence). However, the nuclear spin affects the NV coherence only at precise free evolution times - and finite timing resolution set by hardware often severely limits the sensitivity and resolution of the method. In this work, we overcome this timing resolution barrier by developing a technique to supersample the metrology signal by effectively implementing a quantum interpolation of the spin system dynamics. This method will enable spin sensing at high magnetic fields and high repetition rate, allowing significant improvements in sensitivity and spectral resolution. We experimentally demonstrate a resolution boost by over a factor of 100 for spin sensing and AC magnetometry. The method is shown to be robust, versatile to sensing normal and spurious signal harmonics, and ultimately limited in resolution only by the number of pulses that can be applied.

  15. AIRBORNE HIGH-RESOLUTION DIGITAL IMAGING SYSTEM

    Directory of Open Access Journals (Sweden)

    Prado-Molina, J.

    2006-04-01

    Full Text Available A low-cost airborne digital imaging system capable to perform aerial surveys with small-format cameras isintroduced. The equipment is intended to obtain high-resolution multispectral digital photographs constituting so aviable alternative to conventional aerial photography and satellite imagery. Monitoring software handles all theprocedures involved in image acquisition, including flight planning, real-time graphics for aircraft position updatingin a mobile map, and supervises the main variables engaged in the imaging process. This software also creates fileswith the geographical position of the central point of every image, and the flight path followed by the aircraftduring the entire survey. The cameras are mounted on a three-axis stabilized platform. A set of inertial sensorsdetermines platform's deviations independently from the aircraft and an automatic control system keeps thecameras at a continuous nadir pointing and heading, with a precision better than ± 1 arc-degree in three-axis. Thecontrol system is also in charge of saving the platform’s orientation angles when the monitoring software triggersthe camera. These external orientation parameters, together with a procedure for camera calibration give theessential elements for image orthocorrection. Orthomosaics are constructed using commercial GIS software.This system demonstrates the feasibility of large area coverage in a practical and economical way using smallformatcameras. Monitoring and automatization reduce the work while increasing the quality and the amount ofuseful images.

  16. Development of a high temperature unicam camera and application to X-ray diffraction on powdered uranium; Mise au point d'une chambre unicam a haute temperature et application a la diffraction de rayons X sur l'uranium en poudre

    Energy Technology Data Exchange (ETDEWEB)

    Laugier, J.; Blum, P.L.; Debrenne, P. [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1964-07-01

    A high temperature commercial X-ray camera (UNICAM S150), modified in order to improve some of its performances, is adapted to the uranium powder problem. The strong uranium reactivity for oxygen and silica, the sintering and the grain growth in {beta}-phase are avoided. X-ray photographs are thus possible even in the {gamma}-phase. (authors) [French] Une chambre commerciale de diffraction de rayons X a haute temperature, UNICAM SI50, modifiee en vue d'ameliorer certaines performances, a ete adaptee au probleme de la diffraction sur l'uranium en poudre. En particulier, la reaction avec la silice et l'oxygene, le frittage et l'accroissement du grain en phase {beta} sont evites. L'examen et les mesures sont ainsi possibles jusqu'en phase {gamma}. (auteurs)

  17. Fundamental constants and high-resolution spectroscopy

    Science.gov (United States)

    Bonifacio, P.; Rahmani, H.; Whitmore, J. B.; Wendt, M.; Centurion, M.; Molaro, P.; Srianand, R.; Murphy, M. T.; Petitjean, P.; Agafonova, I. I.; D'Odorico, S.; Evans, T. M.; Levshakov, S. A.; Lopez, S.; Martins, C. J. A. P.; Reimers, D.; Vladilo, G.

    2014-01-01

    Absorption-line systems detected in high resolution quasar spectra can be used to compare the value of dimensionless fundamental constants such as the fine-structure constant, α, and the proton-to-electron mass ratio, μ = m_p/m_e, as measured in remote regions of the Universe to their value today on Earth. In recent years, some evidence has emerged of small temporal and also spatial variations in α on cosmological scales which may reach a fractional level of ≈ 10 ppm (parts per million). We are conducting a Large Programme of observations with the Very Large Telescope's Ultraviolet and Visual Echelle Spectrograph (UVES), and are obtaining high-resolution ({R ≈ 60 000}) and high signal-to-noise ratio (S/N ≈ 100) spectra calibrated specifically to study the variations of the fundamental constants. We here provide a general overview of the Large Programme and report on the first results for these two constants, discussed in detail in Molaro et al. (2013) and Rahmani et al. (2013). A stringent bound for Δα/α is obtained for the absorber at z_abs = 1.6919 towards HE 2217-2818. The absorption profile is complex with several very narrow features, and is modeled with 32 velocity components. The relative variation in α in this system is +1.3± 2.4_stat ± 1.0_sys ppm if Al II λ 1670 Å and three Fe II transitions are used, and +1.1 ± 2.6_stat ppm in a slightly different analysis with only Fe II transitions used. This is one of the tightest bounds on α-variation from an individual absorber and reveals no evidence for variation in α at the 3-ppm precision level (1σ confidence). The expectation at this sky position of the recently-reported dipolar variation of α is (3.2-5.4)±1.7 ppm depending on dipole model used and this constraint of Δα/α at face value is not supporting this expectation but not inconsistent with it at the 3σ level. For the proton-to-electron mass ratio the analysis of the H_2 absorption lines of the z_abs ≈ 2.4018 damped Lyα system

  18. High-resolution phylogenetic microbial community profiling

    Energy Technology Data Exchange (ETDEWEB)

    Singer, Esther; Coleman-Derr, Devin; Bowman, Brett; Schwientek, Patrick; Clum, Alicia; Copeland, Alex; Ciobanu, Doina; Cheng, Jan-Fang; Gies, Esther; Hallam, Steve; Tringe, Susannah; Woyke, Tanja

    2014-03-17

    The representation of bacterial and archaeal genome sequences is strongly biased towards cultivated organisms, which belong to merely four phylogenetic groups. Functional information and inter-phylum level relationships are still largely underexplored for candidate phyla, which are often referred to as microbial dark matter. Furthermore, a large portion of the 16S rRNA gene records in the GenBank database are labeled as environmental samples and unclassified, which is in part due to low read accuracy, potential chimeric sequences produced during PCR amplifications and the low resolution of short amplicons. In order to improve the phylogenetic classification of novel species and advance our knowledge of the ecosystem function of uncultivated microorganisms, high-throughput full length 16S rRNA gene sequencing methodologies with reduced biases are needed. We evaluated the performance of PacBio single-molecule real-time (SMRT) sequencing in high-resolution phylogenetic microbial community profiling. For this purpose, we compared PacBio and Illumina metagenomic shotgun and 16S rRNA gene sequencing of a mock community as well as of an environmental sample from Sakinaw Lake, British Columbia. Sakinaw Lake is known to contain a large age of microbial species from candidate phyla. Sequencing results show that community structure based on PacBio shotgun and 16S rRNA gene sequences is highly similar in both the mock and the environmental communities. Resolution power and community representation accuracy from SMRT sequencing data appeared to be independent of GC content of microbial genomes and was higher when compared to Illumina-based metagenome shotgun and 16S rRNA gene (iTag) sequences, e.g. full-length sequencing resolved all 23 OTUs in the mock community, while iTags did not resolve closely related species. SMRT sequencing hence offers various potential benefits when characterizing uncharted microbial communities.

  19. High resolution CT findings of pseudoalveolar sarcoidosis

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Ji Eun; Park, Jun Gyun; Choe, Kyu Ok; Kim, Sang Jin [Yonsei University College of Medicine, Seoul (Korea, Republic of); Ryu, Young Hoon; Im, Jung Gi [Seoul National University College of Medicine, Seoul (Korea, Republic of); Lee, Kyoung Soo [Sungkunkwan University College of Medicine, Seoul (Korea, Republic of); Song, Koun Sik [University of Ulsan College of Medicine, Seoul (Korea, Republic of); Kim, Hyae Young [National Cancer Centar, Seoul (Korea, Republic of)

    2002-08-01

    To determine the specific high-resolution CT features of sarcoidosis in which the observed pattern is predominantly pseudoalveolar. We retrospectively reviewed the HRCT findings in 15 cases in which chest radiography demonstrated pseudoalveolar consolidation. In all 15, sarcoidosis was pathologically proven. The distribution and characterization of the following CT features was meticulously scrutinized: distribution and characterization of pseudoalveolar lesions, air-bronchograms, micronodules, thickening of bronchovascular bundles and interlobular septa, lung distortion, ground-glass opacities and combined hilar and mediastinal lymphadenopathy. Follow-up CT scans were available in three cases after corticosteroid administration. Between one and 12 (mean, 5.6) pseudoalveolar lesions appeared as dense homogeneous or inhomogeneous opacities 1-4.5 cm in diameter and with an irregular margin located either at the lung periphery adjacent to the pleural surface or along the bronchovascular bundles, with mainly bilateral distribution (n=14, 93%). An air-bronchogram was observed in ten cases. Micronodules were observed at the periphery of the lesion or surrounding lung, which along with a thickened bronchovascular bundle was a consistent feature in all cases. Additional CT features included hilar and mediastinal lymphadenopathy (n=14, 93%), thickened interlobular septa (n=12, 80%), and ground-glass opacity (n=10, 67%). Lung distortion was noted in only one case (7%). After steroid administration pseudoalveolar lesions decreased in number and size in all three cases in which follow-up CT was available. The consistent HRCT features of pseudoalveolar sarcoidosis are bilateral multifocal dense homogenous or inhomogenous opacity and an irregular margin located either at the lung periphery adjacent to the pleural surface or along the bronchovascular bundles. Micronodules are present at the periphery of the lesion or surrounding lung. The features are reversible administration.

  20. High-resolution downscaling for hydrological management

    Science.gov (United States)

    Ulbrich, Uwe; Rust, Henning; Meredith, Edmund; Kpogo-Nuwoklo, Komlan; Vagenas, Christos

    2017-04-01

    Hydrological modellers and water managers require high-resolution climate data to model regional hydrologies and how these may respond to future changes in the large-scale climate. The ability to successfully model such changes and, by extension, critical infrastructure planning is often impeded by a lack of suitable climate data. This typically takes the form of too-coarse data from climate models, which are not sufficiently detailed in either space or time to be able to support water management decisions and hydrological research. BINGO (Bringing INnovation in onGOing water management; ) aims to bridge the gap between the needs of hydrological modellers and planners, and the currently available range of climate data, with the overarching aim of providing adaptation strategies for climate change-related challenges. Producing the kilometre- and sub-daily-scale climate data needed by hydrologists through continuous simulations is generally computationally infeasible. To circumvent this hurdle, we adopt a two-pronged approach involving (1) selective dynamical downscaling and (2) conditional stochastic weather generators, with the former presented here. We take an event-based approach to downscaling in order to achieve the kilometre-scale input needed by hydrological modellers. Computational expenses are minimized by identifying extremal weather patterns for each BINGO research site in lower-resolution simulations and then only downscaling to the kilometre-scale (convection permitting) those events during which such patterns occur. Here we (1) outline the methodology behind the selection of the events, and (2) compare the modelled precipitation distribution and variability (preconditioned on the extremal weather patterns) with that found in observations.

  1. High Resolution Global View of Io

    Science.gov (United States)

    1997-01-01

    Io, the most volcanic body in the solar system is seen in the highest resolution obtained to date by NASA's Galileo spacecraft. The smallest features that can be discerned are 2.5 kilometers in size. There are rugged mountains several kilometers high, layered materials forming plateaus, and many irregular depressions called volcanic calderas. Several of the dark, flow-like features correspond to hot spots, and may be active lava flows. There are no landforms resembling impact craters, as the volcanism covers the surface with new deposits much more rapidly than the flux of comets and asteroids can create large impact craters. The picture is centered on the side of Io that always faces away from Jupiter; north is to the top.Color images acquired on September 7, 1996 have been merged with higher resolution images acquired on November 6, 1996 by the Solid State Imaging (CCD) system aboard NASA's Galileo spacecraft. The color is composed of data taken, at a range of 487,000 kilometers, in the near-infrared, green, and violet filters and has been enhanced to emphasize the extraordinary variations in color and brightness that characterize Io's face. The high resolution images were obtained at ranges which varied from 245,719 kilometers to 403,100 kilometers.Launched in October 1989, Galileo entered orbit around Jupiter on December 7, 1995. The spacecraft's mission is to conduct detailed studies of the giant planet, its largest moons and the Jovian magnetic environment. The Jet Propulsion Laboratory, Pasadena, CA manages the mission for NASA's Office of Space Science, Washington, DC.This image and other images and data received from Galileo are posted on the World Wide Web, on the Galileo mission home page at URL http://galileo.jpl.nasa.gov. Background information and educational context for the images can be found at URL http://www.jpl.nasa.gov/galileo/sepo

  2. HIGH RESOLUTION AIRBORNE SHALLOW WATER MAPPING

    Directory of Open Access Journals (Sweden)

    F. Steinbacher

    2012-07-01

    Full Text Available In order to meet the requirements of the European Water Framework Directive (EU-WFD, authorities face the problem of repeatedly performing area-wide surveying of all kinds of inland waters. Especially for mid-sized or small rivers this is a considerable challenge imposing insurmountable logistical efforts and costs. It is therefore investigated if large-scale surveying of a river system on an operational basis is feasible by employing airborne hydrographic laser scanning. In cooperation with the Bavarian Water Authority (WWA Weilheim a pilot project was initiated by the Unit of Hydraulic Engineering at the University of Innsbruck and RIEGL Laser Measurement Systems exploiting the possibilities of a new LIDAR measurement system with high spatial resolution and high measurement rate to capture about 70 km of riverbed and foreland for the river Loisach in Bavaria/Germany and the estuary and parts of the shoreline (about 40km in length of lake Ammersee. The entire area surveyed was referenced to classic terrestrial cross-section surveys with the aim to derive products for the monitoring and managing needs of the inland water bodies forced by the EU-WFD. The survey was performed in July 2011 by helicopter and airplane and took 3 days in total. In addition, high resolution areal images were taken to provide an optical reference, offering a wide range of possibilities on further research, monitoring, and managing responsibilities. The operating altitude was about 500 m to maintain eye-safety, even for the aided eye, the airspeed was about 55 kts for the helicopter and 75 kts for the aircraft. The helicopter was used in the alpine regions while the fixed wing aircraft was used in the plains and the urban area, using appropriate scan rates to receive evenly distributed point clouds. The resulting point density ranged from 10 to 25 points per square meter. By carefully selecting days with optimum water quality, satisfactory penetration down to the river

  3. High Resolution Airborne Shallow Water Mapping

    Science.gov (United States)

    Steinbacher, F.; Pfennigbauer, M.; Aufleger, M.; Ullrich, A.

    2012-07-01

    In order to meet the requirements of the European Water Framework Directive (EU-WFD), authorities face the problem of repeatedly performing area-wide surveying of all kinds of inland waters. Especially for mid-sized or small rivers this is a considerable challenge imposing insurmountable logistical efforts and costs. It is therefore investigated if large-scale surveying of a river system on an operational basis is feasible by employing airborne hydrographic laser scanning. In cooperation with the Bavarian Water Authority (WWA Weilheim) a pilot project was initiated by the Unit of Hydraulic Engineering at the University of Innsbruck and RIEGL Laser Measurement Systems exploiting the possibilities of a new LIDAR measurement system with high spatial resolution and high measurement rate to capture about 70 km of riverbed and foreland for the river Loisach in Bavaria/Germany and the estuary and parts of the shoreline (about 40km in length) of lake Ammersee. The entire area surveyed was referenced to classic terrestrial cross-section surveys with the aim to derive products for the monitoring and managing needs of the inland water bodies forced by the EU-WFD. The survey was performed in July 2011 by helicopter and airplane and took 3 days in total. In addition, high resolution areal images were taken to provide an optical reference, offering a wide range of possibilities on further research, monitoring, and managing responsibilities. The operating altitude was about 500 m to maintain eye-safety, even for the aided eye, the airspeed was about 55 kts for the helicopter and 75 kts for the aircraft. The helicopter was used in the alpine regions while the fixed wing aircraft was used in the plains and the urban area, using appropriate scan rates to receive evenly distributed point clouds. The resulting point density ranged from 10 to 25 points per square meter. By carefully selecting days with optimum water quality, satisfactory penetration down to the river bed was achieved

  4. Assessment of firing conditions in old fired-clay bricks. The contribution of X-ray powder diffraction with the Rietveld method and small angle neutron scattering

    Czech Academy of Sciences Publication Activity Database

    Viani, Alberto; Sotiriadis, Konstantinos; Len, A.; Šašek, Petr; Ševčík, Radek

    2016-01-01

    Roč. 116, June (2016), s. 33-43 ISSN 1044-5803 R&D Projects: GA MŠk(CZ) LO1219 Keywords : fired- clay brick * Rietveld method * small angle neutron scattering * X-ray diffraction * firing temperature Subject RIV: AL - Art, Architecture, Cultural Heritage Impact factor: 2.714, year: 2016 http://www.sciencedirect.com/science/article/pii/S1044580316300870

  5. An x-ray powder diffraction study of the high temperature phase transitions in {alpha}-quartz-type AlPO{sub 4}-GaPO{sub 4} solid solutions

    Energy Technology Data Exchange (ETDEWEB)

    Haines, J [Laboratoire de Physicochimie de la Matiere Condensee, UMR CNRS 5617, Universite Montpellier II, cc 003, Place E Bataillon, F-34095 Montpellier, Cedex 5 (France); Cambon, O [Laboratoire de Physicochimie de la Matiere Condensee, UMR CNRS 5617, Universite Montpellier II, cc 003, Place E Bataillon, F-34095 Montpellier, Cedex 5 (France); Fraysse, G [Laboratoire de Physicochimie de la Matiere Condensee, UMR CNRS 5617, Universite Montpellier II, cc 003, Place E Bataillon, F-34095 Montpellier, Cedex 5 (France); Lee, A van der [Institut Europeen des Membranes de Montpellier, UMR-CNRS 5635, Universite Montpellier II, cc 047, 300 Avenue Prof. E Jeanbrau, F-34095 Montpellier, Cedex 5 (France)

    2005-07-20

    Al{sub 1-x}Ga{sub x}PO{sub 4} solid solutions (x = 0.3, 0.7) with the {alpha}-quartz-type structure were investigated up to 1208 K by x-ray powder diffraction. The composition Al{sub 0.7}Ga{sub 0.3}PO{sub 4} exhibits almost simultaneous transitions to the {beta}-quartz and {beta}-cristobalite forms at close to 1050 K. The tendency towards the {beta}-quartz type structure is found to be much less marked for the Ga-rich composition (x = 0.7) based on the temperature dependence of the cell parameters, molar volume, fractional atomic coordinates and tetrahedral tilt angle. Direct transformation to the {beta}-cristobalite form begins close to 1123 K. The {beta}-quartz form exists as a stable phase only for values below x = 0.3.

  6. Disordered structure of ZrW1.8V0.2O7.9from a combined X-ray and neutron powder diffraction study at 530 K.

    Science.gov (United States)

    Chen, Xi; Tao, Juzhou; Ma, Hui; Zhao, Xinhua

    2009-10-01

    A novel compound, vanadium aliovalent substituted zirconium tungstate, ZrW1.8V0.2O7.9, was prepared with vanadium substituting tungsten rather than the common zirconium substitution. The structure of the high-temperature phase was refined from combined neutron and X-ray powder diffraction data gathered at 530 K. This phase is the disordered centric modification (space group Pa3) and the average crystal structure is similar to that of beta-ZrW2O8. The V atom occupies only a W2 site and charge compensation is achieved through oxygen vacancy, i.e. the oxygen vacancy occurs at only the O4 site. [Atom names follow the established scheme; Evans et al. (1996). Chem. Mater. 8, 2809-2823.].

  7. The structural phase diagram and oxygen equilibrium partial pressure of YBa2CU3O6+x studied by neutron powder diffraction and gas volumetry

    DEFF Research Database (Denmark)

    Andersen, N.H.; Lebech, B.; Poulsen, H.F.

    1990-01-01

    An experimental technique based on neutron powder diffraction and gas volumetry is presented and used to study the structural phase diagram of YBa2Cu3O6+x under equilibrium conditions in an extended part of (x, T)-phase (0.15 < x < 0.92 and 25-degrees-C < T < 725-degrees-C). Our experimental obse...... in the basal plane of tetragonal YBCO. Our pressure data also indicate that x = 0.92 is a maximum obtainable oxygen concentration for oxygen pressures below 760 Torr......., one of which proves the thermodynamic stability of the orthorhombic OII double cell structure. Striking similarity with predictions of recent model calculations support that another anomaly may be interpreted to result from local one-dimensional fluctuations in the distribution of oxygen atoms...

  8. Pressure-induced phase transitions in organic molecular crystals: a combination of x-ray single-crystal and powder diffraction, raman and IR-spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Boldyreva, E V; Goryainov, S V; Seryotkin, Y V; Kolesnik, E N; Shakhtshneider, T P; Ivashevskaya, S N; Drebushchak, T N [Research and Education Center ' Molecular Design and Ecologically Safe Technologies' , REC-008, Novosibirsk State University (Russian Federation); Sowa, H [Goettingen University (Germany); Ahsbahs, H; Chernyshev, V V [Marburg University (Germany); Dmitriev, V P [Swiss-Norwegian Beamline ESRF, Grenoble (France)], E-mail: boldyrev@nsu.ru

    2008-07-15

    The contribution summarizes the results of recent studies of phase transitions induced by high pressure in a number of molecular organic crystals, such as polymorphs of paracetamol, chlorpropamide, polymorphs of glycine, L- and DL-serine, {beta}-alanine. The main attention is paid to the following topics: (1) Reversible / irreversible transformations; (2) Different behavior of single crystals / powders; (3) The role of pressure-transmitting liquid; (4) The role of the kinetic factors: phase transitions on decompression, or after a long storage at a selected pressure; (5) Isosymmetric phase transitions; (6) The role of the changes in the hydrogen bond networks / intramolecular conformational changes in the phase transitions; (7) Superstructures / nanostructures formed as a result of pressure-induced phase transitions.

  9. Diffraction: Principles and application

    Directory of Open Access Journals (Sweden)

    Hansen Thomas C.

    2015-01-01

    Full Text Available We introduce here diffraction in general, as well as neutron and powder diffraction in particular as a tool to study the structure of condensed matter, crystalline solids in particular. Diffraction is a crucial experimental technique of extraordinary potential to elucidate the structure and its evolution of materials important for all domains in the production, conversion, storage and transport of energy. It allows therefore establishing structure-property relationships, which need to be understood in order to develop new and better performing materials.

  10. Calculating cellulose diffraction patterns

    Science.gov (United States)

    Although powder diffraction of cellulose is a common experiment, the patterns are not widely understood. The theory is mathematical, there are numerous different crystal forms, and the conventions are not standardized. Experience with IR spectroscopy is not directly transferable. An awful error, tha...

  11. Scalable Algorithms for Large High-Resolution Terrain Data

    DEFF Research Database (Denmark)

    Mølhave, Thomas; Agarwal, Pankaj K.; Arge, Lars Allan

    2010-01-01

    In this paper we demonstrate that the technology required to perform typical GIS computations on very large high-resolution terrain models has matured enough to be ready for use by practitioners. We also demonstrate the impact that high-resolution data has on common problems. To our knowledge, so...

  12. Achieving sensitive, high-resolution laser spectroscopy at CRIS

    Energy Technology Data Exchange (ETDEWEB)

    Groote, R. P. de [Instituut voor Kern- en Stralingsfysica, KU Leuven (Belgium); Lynch, K. M., E-mail: kara.marie.lynch@cern.ch [EP Department, CERN, ISOLDE (Switzerland); Wilkins, S. G. [The University of Manchester, School of Physics and Astronomy (United Kingdom); Collaboration: the CRIS collaboration

    2017-11-15

    The Collinear Resonance Ionization Spectroscopy (CRIS) experiment, located at the ISOLDE facility, has recently performed high-resolution laser spectroscopy, with linewidths down to 20 MHz. In this article, we present the modifications to the beam line and the newly-installed laser systems that have made sensitive, high-resolution measurements possible. Highlights of recent experimental campaigns are presented.

  13. High resolution UV spectroscopy and laser-focused nanofabrication

    NARCIS (Netherlands)

    Myszkiewicz, G.

    2005-01-01

    This thesis combines two at first glance different techniques: High Resolution Laser Induced Fluorescence Spectroscopy (LIF) of small aromatic molecules and Laser Focusing of atoms for Nanofabrication. The thesis starts with the introduction to the high resolution LIF technique of small aromatic

  14. Achieving sensitive, high-resolution laser spectroscopy at CRIS

    Science.gov (United States)

    de Groote, R. P.; Lynch, K. M.; Wilkins, S. G.

    2017-11-01

    The Collinear Resonance Ionization Spectroscopy (CRIS) experiment, located at the ISOLDE facility, has recently performed high-resolution laser spectroscopy, with linewidths down to 20 MHz. In this article, we present the modifications to the beam line and the newly-installed laser systems that have made sensitive, high-resolution measurements possible. Highlights of recent experimental campaigns are presented.

  15. On the Design of High Resolution Imaging Systems

    Science.gov (United States)

    Eckardt, A.; Reulke, R.

    2017-05-01

    The design of high-resolution systems is always a consideration of many parameters. Technological parameter of the imaging system, e.g. diameter of the imaging system, mass and power, as well as storage and data transfer, have an direct impact on spacecraft size and design. The paper describes the essential design parameters for the description of high-resolution systems.

  16. Cation ordering in cubic and monoclinic (Y, Eu) sub 2 O sub 3 : an x-ray powder diffraction and magnetic susceptibility study

    CERN Document Server

    Antic, B; Rodic, D

    1997-01-01

    Mixed sesquioxides Y sub 2 sub - sub x Eu sub x O sub 3 (x = 0.10, 0.20, 0.60, 1.00, 1.60 and 1.80) in the cubic (C) phase were obtained by precipitation and subsequent sintering. Cubic Eu sub 2 O sub 3 and Y sub 0 sub . sub 2 sub 0 Eu sub 1 sub . sub 8 sub 0 O sub 3 were transformed into monoclinic (B) phases at 1400 K and 1600 K respectively. The transformation is reconstructive in character. All of the structures were refined using the Rietveld powder method, and the Eu sup 3 sup + ions found to be randomly distributed. The molar magnetic susceptibilities at room temperature exceed the free-ion values, and are almost independent of the concentration for x>=0.60. For x<=0.20, the susceptibilities decrease with decreasing concentration of the magnetic ion Eu sup 3 sup +. This behaviour is attributed to crystal-field and anisotropic exchange effects. (author)

  17. Performance improvement of the high resolution neutron diffractometer at CAEP with Geant4 simulation

    Science.gov (United States)

    Zhang, J.; Xia, Y.; Zhang, Y.; Pang, B.; Sun, G.; Li, J.; Huang, C.; Wang, Y.; Pan, J.; Xie, C.

    2017-10-01

    The newly-built high resolution neutron diffractometer (HRND) at China Academy of Engineering Physics (CAEP) could not acquire high-quality diffraction patterns. In order to solve the problem, the present work introduces the Monte Carlo method based software called Geant4 which is rarely applied in the field of neutron diffraction. The geometrical structure of HRND has been structured by Geant4, thus simulation results can not only re-display the problems of HRND but help to solve such problems as well. According to the simulation results, some effective measures have been carried out to obtain higher instrument performance. It is found that the performance of HRND is improved eventually after new experimental diffraction patterns are acquired.

  18. Assessment of firing conditions in old fired-clay bricks: The contribution of X-ray powder diffraction with the Rietveld method and small angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Viani, Alberto, E-mail: viani@itam.cas.cz [Institute of Theoretical and Applied Mechanics AS CR, Centre of Excellence Telč, Batelovská 485, CZ-58856 Telč (Czech Republic); Sotiriadis, Konstantinos [Institute of Theoretical and Applied Mechanics AS CR, Centre of Excellence Telč, Batelovská 485, CZ-58856 Telč (Czech Republic); Len, Adél [Wigner Research Centre for Physics HAS, Konkoly-Thege 29-33, 1121 Budapest (Hungary); Šašek, Petr; Ševčík, Radek [Institute of Theoretical and Applied Mechanics AS CR, Centre of Excellence Telč, Batelovská 485, CZ-58856 Telč (Czech Republic)

    2016-06-15

    Full characterization of fired-clay bricks is crucial for the improvement of process variables in manufacturing and, in case of old bricks, for restoration/replacement purposes. To this aim, five bricks produced in a plant in Czech Republic in the past have been investigated with a combination of analytical techniques in order to derive information on the firing process. An additional old brick from another brickyard was also used to study the influence of different raw materials on sample microstructure. The potential of X-ray diffraction with the Rietveld method and small angle neutron scattering technique has been exploited to describe the phase transformations taking place during firing and characterize the brick microstructure. Unit-cell parameter of spinel and amount of hematite are proposed as indicators of the maximum firing temperature, although for the latter, limited to bricks produced from the same raw material. The fractal quality of the surface area of pores obtained from small angle neutron scattering is also suggested as a method to distinguish between bricks produced from different raw clays. - Highlights: • Rietveld method helps in describing microstructure and physical properties of bricks. • XRPD derived cell parameter of spinel is proposed as an indicator of firing temperature. • SANS effectively describes brick micro and nanostructure, including closed porosity. • Fractal quality of pore surface is proposed as ‘fingerprint’ of brick manufacturing.

  19. High Resolution, Range/Range-Rate Imager Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Visidyne proposes to develop a design for a small, lightweight, high resolution, in x, y, and z Doppler imager to assist in the guidance, navigation and control...

  20. Hurricane Satellite (HURSAT) from Advanced Very High Resolution Radiometer (AVHRR)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Huricane Satellite (HURSAT)-Advanced Very High Resolution Radiometer (AVHRR) is used to extend the HURSAT data set such that appling the Objective Dvorak technique...

  1. Methodology of high-resolution photography for mural condition database

    Science.gov (United States)

    Higuchi, R.; Suzuki, T.; Shibata, M.; Taniguchi, Y.

    2015-08-01

    Digital documentation is one of the most useful techniques to record the condition of cultural heritage. Recently, high-resolution images become increasingly useful because it is possible to show general views of mural paintings and also detailed mural conditions in a single image. As mural paintings are damaged by environmental stresses, it is necessary to record the details of painting condition on high-resolution base maps. Unfortunately, the cost of high-resolution photography and the difficulty of operating its instruments and software have commonly been an impediment for researchers and conservators. However, the recent development of graphic software makes its operation simpler and less expensive. In this paper, we suggest a new approach to make digital heritage inventories without special instruments, based on our recent our research project in Üzümlü church in Cappadocia, Turkey. This method enables us to achieve a high-resolution image database with low costs, short time, and limited human resources.

  2. A Forward-Looking High-Resolution GPR System

    National Research Council Canada - National Science Library

    Kositsky, Joel; Milanfar, Peyman

    1999-01-01

    A high-resolution ground penetrating radar (GPR) system was designed to help define the optimal radar parameters needed for the efficient standoff detection of buried and surface-laid antitank mines...

  3. High Resolution Orthoimagery = Orthorectified Metro Areas: 2000 - Present

    Data.gov (United States)

    U.S. Geological Survey, Department of the Interior — High resolution orthorectified images combine the image characteristics of an aerial photograph with the geometric qualities of a map. An orthoimage is a...

  4. Topological Data Analysis of High-Resolution Temporal Rainfall

    Science.gov (United States)

    Carsteanu, Alin Andrei; Fernández Méndez, Félix; Vásquez Aguilar, Raciel

    2017-04-01

    This study applies topological data analysis (TDA) to the state space representations of high-resolution temporal rainfall intensity data from Iowa City (IIHR, U of Iowa). Using a sufficient embedding dimension, topological properties of the underlying manifold are depicted.

  5. NOAA High-Resolution Sea Surface Temperature (SST) Analysis Products

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This archive covers two high resolution sea surface temperature (SST) analysis products developed using an optimum interpolation (OI) technique. The analyses have a...

  6. EXAFS and X-ray diffraction study of LaCoO3 across the spin-state transition

    Science.gov (United States)

    Sikolenko, V. V.; Troyanchuk, I. O.; Efimov, V. V.; Efimova, E. A.; Tiutiunnikov, S. I.; Karpinsky, D. V.; Pascarelli, S.; Zaharko, O.; Ignatov, A.; Aquilanti, D.; Selutin, A. G.; Shmakov, A. N.; Prabhakaran, D.

    2016-05-01

    A combined high-resolution Co K-edge extended x-ray absorption fine structure (EXAFS) and high-resolution X-ray powder diffraction (XRD) study has been performed to clarify the detail of anomalous behavior of temperature-dependent magnetic susceptibility curve on the LaCoO3 across the spin-state (∼120 K) transition. According to XRD analysis, the Debye-Waller factor of Co-O bond exhibit rapid growth below 20 K whereas the temperature dependence of the average Co-O bond length shows linear behavior from 10 K to 400 K. The EXAFS data show an anomalous decrease of the Co-O bond lengths with respect to those obtained by XRD. No local distortion of CoO6 octahedral as temperature increases up to 400 K has been detected.

  7. Developing Visual Editors for High-Resolution Haptic Patterns

    DEFF Research Database (Denmark)

    Cuartielles, David; Göransson, Andreas; Olsson, Tony

    2012-01-01

    In this article we give an overview of our iterative work in developing visual editors for creating high resolution haptic patterns to be used in wearable, haptic feedback devices. During the past four years we have found the need to address the question of how to represent, construct and edit high...... resolution haptic patterns so that they translate naturally to the user’s haptic experience. To solve this question we have developed and tested several visual editors...

  8. Synthesis of silicon carbide coating on diamond by microwave heating of diamond and silicon powder: A heteroepitaxial growth

    Energy Technology Data Exchange (ETDEWEB)

    Leparoux, S. [Empa, Department of Materials Technology, Feuerwerkerstrasse 39, CH-3602 Thun (Switzerland)], E-mail: susanne.leparoux@empa.ch; Diot, C. [Consultant, allee de Mozart 10, F-92300 Chatillon (France); Dubach, A. [Empa, Department of Materials Technology, Feuerwerkerstrasse 39, CH-3602 Thun (Switzerland); Vaucher, S. [Empa, Department of Materials Technology, Feuerwerkerstrasse 39, CH-3602 Thun (Switzerland)

    2007-10-15

    When a powder mixture of diamond and silicon is heated by microwaves, heteroepitaxial growth of SiC is observed on the (1 1 1) as well as on the (1 0 0) faces of the diamond. The SiC over-layer was characterized by X-ray diffraction and scanning electron microscopy. High-resolution scanning electron microscopy shows the presence of triangular silicon carbide on the (1 1 1) faces of diamond while prismatic crystals are found on the (1 0 0) faces. The crystal growth seems to be favored in the plane parallel to the face (1 1 1)

  9. High resolution spin- and angle-resolved photoelectron spectroscopy for 3D spin vectorial analysis

    Science.gov (United States)

    Okuda, Taichi; Miyamoto, Koji; Kimura, Akio; Namatame, Hirofumi; Taniguchi, Masaki

    2013-03-01

    Spin- and angle-resolved photoelectron spectroscopy (SARPES) is the excellent tool which can directly observe the band structure of crystals with separating spin-up and -down states. Recent findings of new class of materials possessing strong spin orbit interaction such as Rashba spin splitting systems or topological insulators stimulate to develop new SARPES apparatuses and many sophisticated techniques have been reported recently. Here we report our newly developed a SARPES apparatus for spin vectorial analysis with high precision at Hiroshima Synchrotron Radiation Center. Highly efficient spin polarimeter utilizing very low energy electron diffraction (VLEED) makes high resolution (ΔE Japan Society for the Promotion of Science.

  10. X-ray photoelectron spectroscopy, high-resolution X-ray diffraction ...

    Indian Academy of Sciences (India)

    LiNbO3) nonlinear optical single crystal. P KUMAR1,3, S MOORTHY BABU1,∗, S PERERO2,3,. RAJAMANICCAM L SAI4, I BHAUMIK5, S GANESAMOORTHY5 and A K KARNAL5. 1Crystal Growth Centre, Anna University, Chennai 600 025, India.

  11. EMODnet High Resolution Seabed Mapping - further developing a high resolution digital bathymetry for European seas

    Science.gov (United States)

    Schaap, Dick M. A.; Schmitt, Thierry

    2017-04-01

    Access to marine data is a key issue for the EU Marine Strategy Framework Directive and the EU Marine Knowledge 2020 agenda and includes the European Marine Observation and Data Network (EMODnet) initiative. EMODnet aims at assembling European marine data, data products and metadata from diverse sources in a uniform way. The EMODnet data infrastructure is developed through a stepwise approach in three major phases. Currently EMODnet is entering its 3rd phase with operational portals providing access to marine data for bathymetry, geology, physics, chemistry, biology, seabed habitats and human activities, complemented by checkpoint projects, analysing the fitness for purpose of data provision. The EMODnet Bathymetry project has developed Digital Terrain Models (DTM) for the European seas. These have been produced from survey and aggregated data sets that are indexed with metadata by adopting the SeaDataNet Catalogue services. SeaDataNet is a network of major oceanographic data centres around the European seas that manage, operate and further develop a pan-European infrastructure for marine and ocean data management. The latest EMODnet Bathymetry DTM release has a resolution of 1/8 arcminute * 1/8 arcminute and covers all European sea regions. Use has been made of circa 7800 gathered survey datasets and composite DTMs from 27 European data providers from 15 countries. For areas without coverage use has been made of the latest GEBCO DTM. The catalogue services and the generated EMODnet DTM have been published at the dedicated EMODnet Bathymetry portal which includes a versatile DTM viewing service that also supports downloading in various formats. End December 2016 the Bathymetry project has been succeeded by EMODnet High Resolution Seabed Mapping (HRSM) as part of the third phase of EMODnet. This new project will continue gathering of bathymetric in-situ data sets with extra efforts for near coastal waters and coastal zones. In addition Satellite Derived Bathymetry

  12. A high-resolution vehicle emission inventory for China

    Science.gov (United States)

    Zheng, B.; Zhang, Q.; He, K.; Huo, H.; Yao, Z.; Wang, X.

    2012-12-01

    Developing high resolution emission inventory is an essential task for air quality modeling and management. However, current vehicle emission inventories in China are usually developed at provincial level and then allocated to grids based on various spatial surrogates, which is difficult to get high spatial resolution. In this work, we developed a new approach to construct a high-resolution vehicle emission inventory for China. First, vehicle population at county level were estimated by using the relationship between per-capita GDP and vehicle ownership. Then the Weather Research and Forecasting (WRF) model were used to drive the International Vehicle Emission (IVE) model to get monthly emission factors for each county. Finally, vehicle emissions by county were allocated to grids with 5-km horizon resolution by using high-resolution road network data. This work provides a better understanding of spatial representation of vehicle emissions in China and can benefit both air quality modeling and management with improved spatial accuracy.

  13. Single sensor processing to obtain high resolution color component signals

    Science.gov (United States)

    Glenn, William E. (Inventor)

    2010-01-01

    A method for generating color video signals representative of color images of a scene includes the following steps: focusing light from the scene on an electronic image sensor via a filter having a tri-color filter pattern; producing, from outputs of the sensor, first and second relatively low resolution luminance signals; producing, from outputs of the sensor, a relatively high resolution luminance signal; producing, from a ratio of the relatively high resolution luminance signal to the first relatively low resolution luminance signal, a high band luminance component signal; producing, from outputs of the sensor, relatively low resolution color component signals; and combining each of the relatively low resolution color component signals with the high band luminance component signal to obtain relatively high resolution color component signals.

  14. Compact and high-resolution optical orbital angular momentum sorter

    Directory of Open Access Journals (Sweden)

    Chenhao Wan

    2017-03-01

    Full Text Available A compact and high-resolution optical orbital angular momentum (OAM sorter is proposed and demonstrated. The sorter comprises a quadratic fan-out mapper and a dual-phase corrector positioned in the pupil plane and the Fourier plane, respectively. The optical system is greatly simplified compared to previous demonstrations of OAM sorting, and the performance in resolution and efficiency is maintained. A folded configuration is set up using a single reflective spatial light modulator (SLM to demonstrate the validity of the scheme. The two phase elements are implemented on the left and right halves of the SLM and connected by a right-angle prism. Experimental results demonstrate the high resolution of the compact OAM sorter, and the current limit in efficiency can be overcome by replacing with transmissive SLMs and removing the beam splitters. This novel scheme paves the way for the miniaturization and integration of high-resolution OAM sorters.

  15. High-resolution interference with programmable classical incoherent light.

    Science.gov (United States)

    Zhang, Er-Feng; Liu, Wei-Tao; Chen, Ping-Xing

    2015-07-01

    A scheme of high-resolution interference with classical incoherent light is proposed. In this scheme, the classical incoherent light is programmable in the amplitude distribution and wavefront, and with the programmable classical incoherent light we improve the resolution of the interference pattern by a factor of 2 compared with the scheme by Erkmen [J. Opt. Soc. Am. A29, 782 (2012)JOAOD60740-323210.1364/JOSAA.29.000782]. Compared with other schemes for observing interference patterns, only single-pixel detection is needed in our proposal. Moreover, the high-resolution interference pattern can be inverted to obtain an image with better resolution compared with that of the scheme proposed by Erkmen. Furthermore, this scheme of high-resolution interference is verified in detail by theoretical analysis and numerical simulations.

  16. O-space with high resolution readouts outperforms radial imaging.

    Science.gov (United States)

    Wang, Haifeng; Tam, Leo; Kopanoglu, Emre; Peters, Dana C; Constable, R Todd; Galiana, Gigi

    2017-04-01

    While O-Space imaging is well known to accelerate image acquisition beyond traditional Cartesian sampling, its advantages compared to undersampled radial imaging, the linear trajectory most akin to O-Space imaging, have not been detailed. In addition, previous studies have focused on ultrafast imaging with very high acceleration factors and relatively low resolution. The purpose of this work is to directly compare O-Space and radial imaging in their potential to deliver highly undersampled images of high resolution and minimal artifacts, as needed for diagnostic applications. We report that the greatest advantages to O-Space imaging are observed with extended data acquisition readouts. A sampling strategy that uses high resolution readouts is presented and applied to compare the potential of radial and O-Space sequences to generate high resolution images at high undersampling factors. Simulations and phantom studies were performed to investigate whether use of extended readout windows in O-Space imaging would increase k-space sampling and improve image quality, compared to radial imaging. Experimental O-Space images acquired with high resolution readouts show fewer artifacts and greater sharpness than radial imaging with equivalent scan parameters. Radial images taken with longer readouts show stronger undersampling artifacts, which can cause small or subtle image features to disappear. These features are preserved in a comparable O-Space image. High resolution O-Space imaging yields highly undersampled images of high resolution and minimal artifacts. The additional nonlinear gradient field improves image quality beyond conventional radial imaging. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. In-house characterization of protein powder

    DEFF Research Database (Denmark)

    Hartmann, Christian Grundahl; Nielsen, Ole Faurskov; Ståhl, Kenny

    2010-01-01

    X-ray powder diffraction patterns of lysozyme and insulin were recorded on a standard in-house powder diffractometer. The experimental powder diffraction patterns were compared with patterns calculated from Protein Data Bank coordinate data. Good agreement was obtained by including straightforward...... to include calculated H-atom positions did not improve the overall fit and was abandoned. The method devised was shown to be a quick and convenient tool for distinguishing precipitates and polymorphs of proteins....

  18. High-resolution low-dose scanning transmission electron microscopy.

    Science.gov (United States)

    Buban, James P; Ramasse, Quentin; Gipson, Bryant; Browning, Nigel D; Stahlberg, Henning

    2010-01-01

    During the past two decades instrumentation in scanning transmission electron microscopy (STEM) has pushed toward higher intensity electron probes to increase the signal-to-noise ratio of recorded images. While this is suitable for robust specimens, biological specimens require a much reduced electron dose for high-resolution imaging. We describe here protocols for low-dose STEM image recording with a conventional field-emission gun STEM, while maintaining the high-resolution capability of the instrument. Our findings show that a combination of reduced pixel dwell time and reduced gun current can achieve radiation doses comparable to low-dose TEM.

  19. Theoretical Problems in High Resolution Solar Physics, 2

    Science.gov (United States)

    Athay, G. (Editor); Spicer, D. S. (Editor)

    1987-01-01

    The Science Working Group for the High Resolution Solar Observatory (HRSO) laid plans beginning in 1984 for a series of workshops designed to stimulate a broadbased input from the scientific community to the HRSO mission. These workshops have the dual objectives of encouraging an early start on the difficult theoretical problems in radiative transfer, magnetohydrodynamics, and plasma physics that will be posed by the HRSO data, and maintaining current discussions of results in high resolution solar studies. This workshop was the second in the series. The workshop format presented invited review papers during the formal sessions and contributed poster papers for discussions during open periods. Both are presented.

  20. Quasi-mosaic Crystals For High-resolution Focusing Of Hard X-rays Through A Laue Lens

    Science.gov (United States)

    Camattari, R.; Guidi, V.; Bellucci, V.; Neri, I.

    2011-09-01

    We propose the usage of bent crystals exploiting the Quasi-Mosaicity for high-resolution focusing of hard X-rays. Quasi-Mosaicity is an effect of anisotropy in crystals that manifests itself along selected crystallographic directions. As a result of primary curvature imparted to the crystal, a secondary curvature (Quasi-Mosaic curvature) occurs. We demonstrated that a combination of primary and Quasi-Mosaic curvatures allows high-efficiency diffraction and high-resolution focusing of diffracted photons. As compared to traditional mosaic crystals with same size and energy passband, Quasi-Mosaic crystals would increases the signal-to-noise ratio by about an order of magnitude and no mosaic defocusing would occur.

  1. Powder diffraction in structural characterization of ...

    Indian Academy of Sciences (India)

    Department of Chemistry, M.V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation; A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Leninsky prospect 31, 119991 Moscow GSP-1, Russian Federation; Department of Medicinal Chemistry, State Scientific Center for Antibiotics, ...

  2. Structure and photoluminescence property of Eu-doped SnO{sub 2} nanocrystalline powders fabricated by sol-gel calcination process

    Energy Technology Data Exchange (ETDEWEB)

    Chen Jiangtao; Wang Jun; Zhang Fei; Yan De; Zhang Guangan; Zhuo Renfu; Yan Pengxun [School of Physical Science and Technology, Lanzhou University, Lanzhou 730000 (China)], E-mail: pxyan@lzu.edu.cn

    2008-05-21

    Eu-doped SnO{sub 2} nanocrystalline powders were fabricated by the sol-gel calcination process. The effect of Eu doping concentrations on the structure and photoluminescence properties of Eu-doped SnO{sub 2} nanocrystalline powders was investigated. X-ray diffraction patterns, Fourier transformation infrared spectrum, field emission scanning electron microscope and high-resolution transmission electron microscope are employed to investigate the morphology and the structure of Eu-doped SnO{sub 2} nanocrystalline powders. The samples display reddish-orange light and red light when excited at indirect and direct excitation, respectively. Meanwhile, PL spectra indicate that the quenching concentrations are different when the excitation wavelength alters. Based on the analysis of the PL spectra, it is believed that Eu{sup 3+} ions located at different sites in the SnO{sub 2} host are selectively excited.

  3. Remote parallel rendering for high-resolution tiled display walls

    KAUST Repository

    Nachbaur, Daniel

    2014-11-01

    © 2014 IEEE. We present a complete, robust and simple to use hardware and software stack delivering remote parallel rendering of complex geometrical and volumetric models to high resolution tiled display walls in a production environment. We describe the setup and configuration, present preliminary benchmarks showing interactive framerates, and describe our contributions for a seamless integration of all the software components.

  4. Input variable selection for interpolating high-resolution climate ...

    African Journals Online (AJOL)

    2010-10-20

    Oct 20, 2010 ... Accurate climate surfaces are vital for applications relating to groundwater recharge modelling, evapotranspiration estima- ... with distance to oceans and elevation to generate 8 sets of high-resolution (i.e. 3 arc second) climate surfaces of the Western .... ANUSPLIN, developed by the Australian National.

  5. High resolution numerical weather prediction over the Indian ...

    Indian Academy of Sciences (India)

    In this study, the Florida State University Global Spectral Model (FSUGSM), in association with a high-resolution nested regional spectral model (FSUNRSM), is used for short-range weather forecasts over the Indian domain. Three-day forecasts for each day of August 1998 were performed using different versions of the ...

  6. Track prediction of very severe cyclone 'Nargis' using high resolution ...

    Indian Academy of Sciences (India)

    In the present study, a detailed diagnostic analysis of the system 'Nargis' is carried out initially to investigate the features associated with this unusual movement and subsequently the real time forecast of VSCS 'Nargis' using high resolution advanced version weather research forecasting (WRF) model is presented.

  7. HIGH RESOLUTION RESISTIVITY LEAK DETECTION DATA PROCESSING & EVALUATION MEHTODS & REQUIREMENTS

    Energy Technology Data Exchange (ETDEWEB)

    SCHOFIELD JS

    2007-10-04

    This document has two purposes: {sm_bullet} Describe how data generated by High Resolution REsistivity (HRR) leak detection (LD) systems deployed during single-shell tank (SST) waste retrieval operations are processed and evaluated. {sm_bullet} Provide the basic review requirements for HRR data when Hrr is deployed as a leak detection method during SST waste retrievals.

  8. Workshop on high-resolution, large-acceptance spectrometers

    Energy Technology Data Exchange (ETDEWEB)

    Zeidman, B. (ed.)

    1981-01-01

    The purpose of the Workshop on High-Resolution, Large-Acceptance Spectrometers was to provide a means for exchange of information among those actively engaged in the design and construction of these new spectrometers. Thirty-seven papers were prepared for the data base.

  9. High-resolution seismic imaging of the Sohagpur Gondwana basin ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Earth System Science; Volume 122; Issue 6 ... In this study, we illustrate how Gondwana tectonics affected the Sohagpur Gondwana basin that occurs at the junction of the Mahanadi and Son–Narmada rift systems in the central India, through a high-resolution seismic reflection study along six ...

  10. Bombs at High Resolution. I. Morphological Evidence for Photospheric Reconnection

    NARCIS (Netherlands)

    Watanabe, H.; Vissers, G.; Kitai, R.; Rouppe van der Voort, L.H.M.; Rutten, R.J.|info:eu-repo/dai/nl/074143662

    2011-01-01

    High-resolution imaging-spectroscopy movies of solar active region NOAA 10998 obtained with the Crisp Imaging Spectropolarimeter at the Swedish 1-m Solar Telescope show very bright, rapidly flickering, flame-like features that appear intermittently in the wings of the Balmer Hα line in a region with

  11. Calibration of a High Resolution Airborne 3-D SAR

    DEFF Research Database (Denmark)

    Dall, Jørgen; Grinder-Pedersen, Jan; Madsen, S.N.

    1997-01-01

    The potential of across-track interferometric (XTI) synthetic aperture radar (SAR) for producing high resolution 3D imagery has been demonstrated by several airborne systems including EMISAR, the dual frequency, polarimetric, and interferometric SAR developed at the Dept. of Electromagnetic Systems...

  12. Comparison of High Resolution Negative Electron Beam Resists

    DEFF Research Database (Denmark)

    Olsen, Brian Bilenberg; Schøler, Mikkel; Shi, Peixiong

    2006-01-01

    Four high resolution negative electron beam resists are compared: TEBN-1 from Tokuyama Corp. Japan, ma-N 2401XP and mr-L 6000AXP from microresist technology GmbH Germany, and SU-8 2000 series from MicroChem Corp., USA. Narrow linewidth high density patterns are defined by 100 kV electron beam...

  13. High-resolution spectroscopy of gases for industrial applications

    DEFF Research Database (Denmark)

    Fateev, Alexander; Clausen, Sønnik

    for analysis of complex experimental data and further development of the databases. High-temperature gas cell facilities available at DTU Chemical Engineering are presented and described. The gas cells and high-resolution spectrometers allow us to perform high-quality reference measurements of gases relevant...

  14. High Resolution Digital Imaging of Paintings: The Vasari Project.

    Science.gov (United States)

    Martinez, Kirk

    1991-01-01

    Describes VASARI (the Visual Art System for Archiving and Retrieval of Images), a project funded by the European Community to show the feasibility of high resolution colormetric imaging directly from paintings. The hardware and software used in the system are explained, storage on optical disks is described, and initial results are reported. (five…

  15. Amplification of real-time high resolution melting analysis PCR ...

    African Journals Online (AJOL)

    In this study, we assessed the usefulness of eight common primers amplifying the respective genes in real-time high resolution melting analysis PCR (real-time HRMA PCR) in terms of time, cost and sensitivity with respect to PCR-SSCP method. We found that case sample can easily be differentiated from control sample by ...

  16. High resolution spectroscopy of the disk chromosphere. I - Observing procedures.

    Science.gov (United States)

    Beckers, J. M.; Mauter, H. A.; Mann, G. R.; Brown, D. R.

    1972-01-01

    Review of some of the main features of a high resolution spectroscopy program aimed at the precise photometric observation of chromospheric fine structures using the Sacramento Peak vacuum telescope. The observing procedures are described, and a sample of the first observational results is presented.

  17. High-Resolution Stamp Fabrication by Edge Lithography

    NARCIS (Netherlands)

    Zhao, Yiping

    2010-01-01

    The aim of the project was to create high resolution stamps for thermal nanoimprint applications. The creation of nanoridges with sub-100 nm resolutions was explored by means of edge lithography via top-down routes, i.e. in combination with micromachining technology. Edge lithography is an add-on

  18. High resolution STEM of quantum dots and quantum wires

    DEFF Research Database (Denmark)

    Kadkhodazadeh, Shima

    2013-01-01

    This article reviews the application of high resolution scanning transmission electron microscopy (STEM) to semiconductor quantum dots (QDs) and quantum wires (QWRs). Different imaging and analytical techniques in STEM are introduced and key examples of their application to QDs and QWRs...

  19. High resolution EPR applications to metalloenzymes and metals in medicine

    CERN Document Server

    Berliner, Lawrence

    2009-01-01

    EPR spectroscopy has an important role in the geometric structural characterization of the redox cofactors in metalloproteins and their electronic structure, as this is crucial for their reactivity. This title covers high-resolution EPR methods, iron proteins, nickel and copper enzymes, and metals in medicine.

  20. High resolution reflection seismic mapping of shallow coal seams

    CSIR Research Space (South Africa)

    Mngadi, SB

    2013-10-01

    Full Text Available Subsidence and collapse of unmapped shallow coal mine workings poses a risk to the public and hampers the development of valuable property. A high-resolution reflection seismic survey was conducted to determine whether it is possible to map...

  1. High resolution mid-infrared spectroscopy based on frequency upconversion

    DEFF Research Database (Denmark)

    Dam, Jeppe Seidelin; Hu, Qi; Tidemand-Lichtenberg, Peter

    2013-01-01

    We present high resolution upconversion of incoherent infrared radiation by means of sum-frequency mixing with a laser followed by simple CCD Si-camera detection. Noise associated with upconversion is, in strong contrast to room temperature direct mid-IR detection, extremely small, thus very faint...

  2. Interpretation of high resolution aeromagnetic data over southern ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Earth System Science; Volume 125; Issue 2 ... High resolution airborne magnetic data of parts of the southern Benue Trough were digitally processed and analyzed in order to estimate the depth of magnetic sources and to map the distribution and orientation of subsurface structural features.

  3. Application of high-resolution melting for variant scanning in ...

    African Journals Online (AJOL)

    High-resolution melting (HRM) analysis is a rapid and sensitive method for single nucleotide polymorphism (SNP) analysis. In this study, a novel HRM assay was carried out to detect SNPs in the chloroplast gene atpB which encodes the beta subunit of the ATP synthase and atpB upstream intergenic region.

  4. High resolution resist-free lithography in the SEM

    NARCIS (Netherlands)

    Hari, S.

    2017-01-01

    Focussed Electron Beam Induced Processing is a high resolution direct-write nanopatterning technique. Its ability to fabricate sub-10 nm structures together with its versatility and ease of use, in that it is resist-free and implementable inside a Scanning Electron Microscope, make it attractive for

  5. Systematic high-resolution assessment of global hydropower potential

    NARCIS (Netherlands)

    Hoes, Olivier A C; Meijer, Lourens J J; Van Der Ent, Ruud J.; Van De Giesen, Nick C.

    2017-01-01

    Population growth, increasing energy demand and the depletion of fossil fuel reserves necessitate a search for sustainable alternatives for electricity generation. Hydropower could replace a large part of the contribution of gas and oil to the present energy mix. However, previous high-resolution

  6. Dual camera system for acquisition of high resolution images

    Science.gov (United States)

    Papon, Jeremie A.; Broussard, Randy P.; Ives, Robert W.

    2007-02-01

    Video surveillance is ubiquitous in modern society, but surveillance cameras are severely limited in utility by their low resolution. With this in mind, we have developed a system that can autonomously take high resolution still frame images of moving objects. In order to do this, we combine a low resolution video camera and a high resolution still frame camera mounted on a pan/tilt mount. In order to determine what should be photographed (objects of interest), we employ a hierarchical method which first separates foreground from background using a temporal-based median filtering technique. We then use a feed-forward neural network classifier on the foreground regions to determine whether the regions contain the objects of interest. This is done over several frames, and a motion vector is deduced for the object. The pan/tilt mount then focuses the high resolution camera on the next predicted location of the object, and an image is acquired. All components are controlled through a single MATLAB graphical user interface (GUI). The final system we present will be able to detect multiple moving objects simultaneously, track them, and acquire high resolution images of them. Results will demonstrate performance tracking and imaging varying numbers of objects moving at different speeds.

  7. pattern of interstitial lung disease as seen by high resolution

    African Journals Online (AJOL)

    2012-09-01

    Sep 1, 2012 ... Background: Diffuse lung diseases constitute a major cause of morbidity and mortality worldwide. High Resolution Computed Tomography (HRCT) is the recommended imaging technique in the diagnosis, assessment and followup of these diseases. Objectives: To describe the pattern of HRCT findings in ...

  8. FMC cameras, high resolution films and very large scale mapping

    Science.gov (United States)

    Tachibana, Kikuo; Hasegawa, Hiroyuki

    1988-06-01

    Very large scale mapping (1/250) was experimented on the basis of FMC camera, high resolution film and total station surveying. The future attractive combination of precision photogrammetry and personal computer assisted terrestrial surveying was investigated from the point of view of accuracy, time effectiveness and total procedures control.

  9. Signal Processing for High Resolution FMCW SAR and Moving Target

    NARCIS (Netherlands)

    Meta, A.; Hoogeboom, P.

    2005-01-01

    The combination of Frequency Modulated ContinuousWave (FMCW) technology and Synthetic Aperture Radar (SAR) leads to lightweight, cost-effective imaging sensors of high resolution. In FMCW SAR applications the conventional stop-and-go approximation used in pulse radar algorithms cannot be considered

  10. Impact of high resolution land surface initialization in Indian summer ...

    Indian Academy of Sciences (India)

    The direct impact of high resolution land surface initialization on the forecast bias in a regional climatemodel in recent years over Indian summer monsoon region is investigated. Two sets of regional climatemodel simulations are performed, one with a coarse resolution land surface initial conditions and secondone used a ...

  11. Plant respirometer enables high resolution of oxygen consumption rates

    Science.gov (United States)

    Foster, D. L.

    1966-01-01

    Plant respirometer permits high resolution of relatively small changes in the rate of oxygen consumed by plant organisms undergoing oxidative metabolism in a nonphotosynthetic state. The two stage supply and monitoring system operates by a differential pressure transducer and provides a calibrated output by digital or analog signals.

  12. Towards high resolution data assimilation and ensemble forecasting

    NARCIS (Netherlands)

    Stappers, R.J.J.

    2013-01-01

    Due the increase in computational power of supercomputers the grid resolution of high resolution numerical weather prediction models is now reaching the 1 km scale. As a result, mesoscale processes related to high impact weather (such as deep convection) can now explicitly be resolved by the models.

  13. Reproducible high-resolution multispectral image acquisition in dermatology

    Science.gov (United States)

    Duliu, Alexandru; Gardiazabal, José; Lasser, Tobias; Navab, Nassir

    2015-07-01

    Multispectral image acquisitions are increasingly popular in dermatology, due to their improved spectral resolution which enables better tissue discrimination. Most applications however focus on restricted regions of interest, imaging only small lesions. In this work we present and discuss an imaging framework for high-resolution multispectral imaging on large regions of interest.

  14. High-resolution axial MR imaging of tibial stress injuries

    Science.gov (United States)

    2012-01-01

    Purpose To evaluate the relative involvement of tibial stress injuries using high-resolution axial MR imaging and the correlation with MR and radiographic images. Methods A total of 33 patients with exercise-induced tibial pain were evaluated. All patients underwent radiograph and high-resolution axial MR imaging. Radiographs were taken at initial presentation and 4 weeks later. High-resolution MR axial images were obtained using a microscopy surface coil with 60 × 60 mm field of view on a 1.5T MR unit. All images were evaluated for abnormal signals of the periosteum, cortex and bone marrow. Results Nineteen patients showed no periosteal reaction at initial and follow-up radiographs. MR imaging showed abnormal signals in the periosteal tissue and partially abnormal signals in the bone marrow. In 7 patients, periosteal reaction was not seen at initial radiograph, but was detected at follow-up radiograph. MR imaging showed abnormal signals in the periosteal tissue and entire bone marrow. Abnormal signals in the cortex were found in 6 patients. The remaining 7 showed periosteal reactions at initial radiograph. MR imaging showed abnormal signals in the periosteal tissue in 6 patients. Abnormal signals were seen in the partial and entire bone marrow in 4 and 3 patients, respectively. Conclusions Bone marrow abnormalities in high-resolution axial MR imaging were related to periosteal reactions at follow-up radiograph. Bone marrow abnormalities might predict later periosteal reactions, suggesting shin splints or stress fractures. High-resolution axial MR imaging is useful in early discrimination of tibial stress injuries. PMID:22574840

  15. High-resolution x-ray imaging using a structured scintillator

    Energy Technology Data Exchange (ETDEWEB)

    Hormozan, Yashar, E-mail: hormozan@kth.se; Sychugov, Ilya; Linnros, Jan [Materials and Nano Physics, School of Information and Communication Technology, KTH Royal Institute of Technology, Electrum 229, Kista, Stockholm SE-16440 (Sweden)

    2016-02-15

    Purpose: In this study, the authors introduce a new generation of finely structured scintillators with a very high spatial resolution (a few micrometers) compared to conventional scintillators, yet maintaining a thick absorbing layer for improved detectivity. Methods: Their concept is based on a 2D array of high aspect ratio pores which are fabricated by ICP etching, with spacings (pitches) of a few micrometers, on silicon and oxidation of the pore walls. The pores were subsequently filled by melting of powdered CsI(Tl), as the scintillating agent. In order to couple the secondary emitted photons of the back of the scintillator array to a CCD device, having a larger pixel size than the pore pitch, an open optical microscope with adjustable magnification was designed and implemented. By imaging a sharp edge, the authors were able to calculate the modulation transfer function (MTF) of this finely structured scintillator. Results: The x-ray images of individually resolved pores suggest that they have been almost uniformly filled, and the MTF measurements show the feasibility of a few microns spatial resolution imaging, as set by the scintillator pore size. Compared to existing techniques utilizing CsI needles as a structured scintillator, their results imply an almost sevenfold improvement in resolution. Finally, high resolution images, taken by their detector, are presented. Conclusions: The presented work successfully shows the functionality of their detector concept for high resolution imaging and further fabrication developments are most likely to result in higher quantum efficiencies.

  16. High resolution reservoir geological modelling using outcrop information

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Changmin; Lin Kexiang; Liu Huaibo [Jianghan Petroleum Institute, Hubei (China)] [and others

    1997-08-01

    This is China`s first case study of high resolution reservoir geological modelling using outcrop information. The key of the modelling process is to build a prototype model and using the model as a geological knowledge bank. Outcrop information used in geological modelling including seven aspects: (1) Determining the reservoir framework pattern by sedimentary depositional system and facies analysis; (2) Horizontal correlation based on the lower and higher stand duration of the paleo-lake level; (3) Determining the model`s direction based on the paleocurrent statistics; (4) Estimating the sandbody communication by photomosaic and profiles; (6) Estimating reservoir properties distribution within sandbody by lithofacies analysis; and (7) Building the reservoir model in sandbody scale by architectural element analysis and 3-D sampling. A high resolution reservoir geological model of Youshashan oil field has been built by using this method.

  17. Fabricating High-Resolution X-Ray Collimators

    Science.gov (United States)

    Appleby, Michael; Atkinson, James E.; Fraser, Iain; Klinger, Jill

    2008-01-01

    A process and method for fabricating multi-grid, high-resolution rotating modulation collimators for arcsecond and sub-arcsecond x-ray and gamma-ray imaging involves photochemical machining and precision stack lamination. The special fixturing and etching techniques that have been developed are used for the fabrication of multiple high-resolution grids on a single array substrate. This technology has application in solar and astrophysics and in a number of medical imaging applications including mammography, computed tomography (CT), single photon emission computed tomography (SPECT), and gamma cameras used in nuclear medicine. This collimator improvement can also be used in non-destructive testing, hydrodynamic weapons testing, and microbeam radiation therapy.

  18. The theory and practice of high resolution scanning electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Joy, D.C. (Tennessee Univ., Knoxville, TN (USA) Oak Ridge National Lab., TN (USA))

    1990-01-01

    Recent advances in instrumentation have produced the first commercial examples of what can justifiably be called High Resolution Scanning Electron Microscopes. The key components of such instruments are a cold field emission gun, a small-gap immersion probe-forming lens, and a clean dry-pumped vacuum. The performance of these microscopes is characterized by several major features including a spatial resolution, in secondary electron mode on solid specimens, which can exceed 1nm on a routine basis; an incident probe current density of the order of 10{sup 6} amps/cm{sup 2}; and the ability to maintain these levels of performance over an accelerating voltage range of from 1 to 30keV. This combination of high resolution, high probe current, low contamination and flexible electron-optical conditions provides many new opportunitites for the application of the SEM to materials science, physics, and the life sciences. 27 refs., 14 figs.

  19. Automatic Matching of High Resolution Satellite Images Based on RFM

    Directory of Open Access Journals (Sweden)

    JI Shunping

    2016-02-01

    Full Text Available A matching method for high resolution satellite images based on RFM is presented.Firstly,the RFM parameters are used to predict the initial parallax of corresponding points and the prediction accuracy is analyzed.Secondly,the approximate epipolar equation is constructed based on projection tracking and its accuracy is analyzed.Thirdly,approximate 1D image matching is executed on pyramid images and least square matching on base images.At last RANSAC is imbedded to eliminate mis-matching points and matching results are obtained.Test results verified the method more robust and with higher matching rate,compared to 2D gray correlation method and the popular SIFT matching method,and the method preferably solved the question of high resolution satellite image matching with different stereo model,different time and large rotation images.

  20. High-Resolution Fluorescence Microscope Imaging of Erythroblast Structure.

    Science.gov (United States)

    Smith, Alyson S; Nowak, Roberta B; Fowler, Velia M

    2018-01-01

    During erythropoiesis, erythroblasts undergo dramatic morphological changes to produce mature erythrocytes. Many unanswered questions regarding the molecular mechanisms behind these changes can be addressed with high-resolution fluorescence imaging. Immunofluoresence staining enables localization of specific molecules, organelles, and membrane components in intact cells at different phases of erythropoiesis. Confocal laser scanning microscopy can provide high-resolution, three-dimensional images of stained structures, which can be used to dissect the molecular mechanisms driving erythropoiesis. The sample preparation, staining procedure, imaging parameters, and image analysis methods used directly affect the quality of the confocal images and the amount and accuracy of information that they can provide. Here, we describe methods to dissect erythropoietic tissues from mice, to perform immunofluorescence staining and confocal imaging of various molecules, organelles and structures of interest in erythroblasts, and to present and quantitatively analyze the data obtained in these fluorescence images.

  1. Sparse Recovery Analysis of High-Resolution Climate Data

    Science.gov (United States)

    Archibald, R.

    2013-12-01

    The field of compressed sensing is vast and currently very active, with new results, methods, and algorithms appearing almost daily. The first notions of compressed sensing began with Prony's method, which was designed by the French mathematician Gaspard Riche de Prony to extract signal information from a limited number of measurements. Since then, sparsity has been used empirically in a variety of applications, including geology and geophysics, spectroscopy, signal processing, radio astronomy, and medical ultrasound. High-resolution climate studies performed on large scale high performance computing have been producing large amounts of data that can benefit from unique mathematical methods for analysis. This work demonstrates how sparse recovery and L1 regularization can be used effectively on large datasets from high-resolution climate studies.

  2. Design of UAV high resolution image transmission system

    Science.gov (United States)

    Gao, Qiang; Ji, Ming; Pang, Lan; Jiang, Wen-tao; Fan, Pengcheng; Zhang, Xingcheng

    2017-02-01

    In order to solve the problem of the bandwidth limitation of the image transmission system on UAV, a scheme with image compression technology for mini UAV is proposed, based on the requirements of High-definition image transmission system of UAV. The video codec standard H.264 coding module and key technology was analyzed and studied for UAV area video communication. Based on the research of high-resolution image encoding and decoding technique and wireless transmit method, The high-resolution image transmission system was designed on architecture of Android and video codec chip; the constructed system was confirmed by experimentation in laboratory, the bit-rate could be controlled easily, QoS is stable, the low latency could meets most applied requirement not only for military use but also for industrial applications.

  3. A Procedure for High Resolution Satellite Imagery Quality Assessment

    Directory of Open Access Journals (Sweden)

    Mattia Crespi

    2009-05-01

    Full Text Available Data products generated from High Resolution Satellite Imagery (HRSI are routinely evaluated during the so-called in-orbit test period, in order to verify if their quality fits the desired features and, if necessary, to obtain the image correction parameters to be used at the ground processing center. Nevertheless, it is often useful to have tools to evaluate image quality also at the final user level. Image quality is defined by some parameters, such as the radiometric resolution and its accuracy, represented by the noise level, and the geometric resolution and sharpness, described by the Modulation Transfer Function (MTF. This paper proposes a procedure to evaluate these image quality parameters; the procedure was implemented in a suitable software and tested on high resolution imagery acquired by the QuickBird, WorldView-1 and Cartosat-1 satellites.

  4. Scalable, flexible and high resolution patterning of CVD graphene.

    Science.gov (United States)

    Hofmann, Mario; Hsieh, Ya-Ping; Hsu, Allen L; Kong, Jing

    2014-01-07

    The unique properties of graphene make it a promising material for interconnects in flexible and transparent electronics. To increase the commercial impact of graphene in those applications, a scalable and economical method for producing graphene patterns is required. The direct synthesis of graphene from an area-selectively passivated catalyst substrate can generate patterned graphene of high quality. We here present a solution-based method for producing patterned passivation layers. Various deposition methods such as ink-jet deposition and microcontact printing were explored, that can satisfy application demands for low cost, high resolution and scalable production of patterned graphene. The demonstrated high quality and nanometer precision of grown graphene establishes the potential of this synthesis approach for future commercial applications of graphene. Finally, the ability to transfer high resolution graphene patterns onto complex three-dimensional surfaces affords the vision of graphene-based interconnects in novel electronics.

  5. Space to Think: Large, High-Resolution Displays for Sensemaking

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, Christopher P.; Endert, Alexander; North, Chris

    2010-05-05

    Space supports human cognitive abilities in a myriad of ways. The note attached to the side of the monitor, the papers spread out on the desk, diagrams scrawled on a whiteboard, and even the keys left out on the counter are all examples of using space to recall, reveal relationships, and think. Technological advances have made it possible to construct large display environments in which space has real meaning. This paper examines how increased space affects the way displays are regarded and used within the context of the cognitively demanding task of sensemaking. A study was conducted observing analysts using a prototype large, high-resolution display to solve an analytic problem. This paper reports on the results of this study and suggests a number of potential design criteria for future sensemaking tools developed for large, high-resolution displays.

  6. Automated data processing of high-resolution mass spectra

    DEFF Research Database (Denmark)

    Hansen, Michael Adsetts Edberg; Smedsgaard, Jørn

    infusion of crude extracts into the source taking advantage of the high sensitivity, high mass resolution and accuracy and the limited fragmentation. Unfortunately, there has not been a comparable development in the data processing techniques to fully exploit gain in high resolution and accuracy...... of the massive amounts of data. We present an automated data processing method to quantitatively compare large numbers of spectra from the analysis of complex mixtures, exploiting the full quality of high-resolution mass spectra. By projecting all detected ions - within defined intervals on both the time...... infusion analyses of crude extract to find the relationship between species from several species terverticillate Penicillium, and also that the ions responsible for the segregation can be identified. Furthermore the process can automate the process of detecting unique species and unique metabolites....

  7. High-resolution dynamical modelling of the Antarctic stratospheric vortex

    Science.gov (United States)

    Haynes, P. H.

    1988-01-01

    Progress is reported on the high-resolution three-dimensional numerical simulation of flows characteristic of the Antarctic wintertime stratosphere. The numerical model is a modified version of the Reading University sigma-coordinate used previously for tropospheric studies. Physical parameterizations are kept to a minimum in order to concentrate as much computing power as possible on simulating details of the dynamical processes. The major question addressed is whether the features observed in recent high-resolution two-dimensional simulations - namely: (1) the formation of a sharp edge to the vortex (seen in the potential vorticity field), (2) the survival of the polar vortex in a material entity, and (3) the formation of small-scale eddies rough the break-up of tongues of high potential vorticity drawn out from the polar vortex - are realized in three-dimensional simulations.

  8. Special issue on high-resolution optical imaging

    Science.gov (United States)

    Smith, Peter J. S.; Davis, Ilan; Galbraith, Catherine G.; Stemmer, Andreas

    2013-09-01

    The pace of development in the field of advanced microscopy is truly breath-taking, and is leading to major breakthroughs in our understanding of molecular machines and cell function. This special issue of Journal of Optics draws attention to a number of interesting approaches, ranging from fluorescence and imaging of unlabelled cells, to computational methods, all of which are describing the ever increasing detail of the dynamic behaviour of molecules in the living cell. This is a field which traditionally, and currently, demonstrates a marvellous interplay between the disciplines of physics, chemistry and biology, where apparent boundaries to resolution dissolve and living cells are viewed in ever more clarity. It is fertile ground for those interested in optics and non-conventional imaging to contribute high-impact outputs in the fields of cell biology and biomedicine. The series of articles presented here has been selected to demonstrate this interdisciplinarity and to encourage all those with a background in the physical sciences to 'dip their toes' into the exciting and dynamic discoveries surrounding cell function. Although single molecule super-resolution microscopy is commercially available, specimen preparation and interpretation of single molecule data remain a major challenge for scientists wanting to adopt the techniques. The paper by Allen and Davidson [1] provides a much needed detailed introduction to the practical aspects of stochastic optical reconstruction microscopy, including sample preparation, image acquisition and image analysis, as well as a brief description of the different variants of single molecule localization microscopy. Since super-resolution microscopy is no longer restricted to three-dimensional imaging of fixed samples, the review by Fiolka [2] is a timely introduction to techniques that have been successfully applied to four-dimensional live cell super-resolution microscopy. The combination of multiple high-resolution techniques

  9. Quantitative High-Resolution Transmission Electron Microscopy of Single Atoms

    OpenAIRE

    Gamm, B.; Popescu, R.; Blank, H.; Schneider, R; Beyer, A.; Gölzhäuser, A.; Gerthsen, D.

    2010-01-01

    Single atoms can be considered as basic objects for electron microscopy to test the microscope performance and basic concepts for modeling of image contrast. In this work high-resolution transmission electron microscopy was applied to image single platinum atoms in an aberration-corrected transmission electron microscope. The atoms are deposited on a self-assembled monolayer substrate which induces only negligible contrast. Single-atom contrast simulations were performed on the basis of Weick...

  10. High-resolution Imaging Techniques for the Assessment of Osteoporosis

    OpenAIRE

    Krug, Roland; Burghardt, Andrew J.; Majumdar, Sharmila; Link, Thomas M.

    2010-01-01

    The importance of assessing the bone’s microarchitectural make-up in addition to its mineral density in the context of osteoporosis has been emphasized in a number of publications. The high spatial resolution required to resolve the bone’s microstructure in a clinically feasible scan time is challenging. Currently, the best suited modalities meeting these requirements in vivo are high-resolution peripheral quantitative imaging (HR-pQCT) and magnetic resonance imaging (MRI). Whereas HR-pQCT is...

  11. A high resolution cavity BPM for the CLIC Test Facility

    CERN Document Server

    Chritin, N.; Soby, L.; Lunin, A.; Solyak, N.; Wendt, M.; Yakovlev, V.

    2012-01-01

    In frame of the development of a high resolution BPM system for the CLIC Main Linac we present the design of a cavity BPM prototype. It consists of a waveguide loaded dipole mode resonator and a monopole mode reference cavity, both operating at 15 GHz, to be compatible with the bunch frequencies at the CLIC Test Facility. Requirements, design concept, numerical analysis, and practical considerations are discussed.

  12. Automatic Matching of High Resolution Satellite Images Based on RFM

    OpenAIRE

    JI Shunping; YUAN Xiuxiao

    2016-01-01

    A matching method for high resolution satellite images based on RFM is presented.Firstly,the RFM parameters are used to predict the initial parallax of corresponding points and the prediction accuracy is analyzed.Secondly,the approximate epipolar equation is constructed based on projection tracking and its accuracy is analyzed.Thirdly,approximate 1D image matching is executed on pyramid images and least square matching on base images.At last RANSAC is imbedded to eliminate mis-matching points...

  13. Tuberculous otitis media: findings on high-resolution CT

    Energy Technology Data Exchange (ETDEWEB)

    Lungenschmid, D. [Dept. of Radiodiagnostics, University Hospital Innsbruck (Austria)]|[Dept. of Magnetic Resonance and Spectroscopy, University Hospital of Innsbruck (Austria); Buchberger, W. [Dept. of Radiodiagnostics, University Hospital Innsbruck (Austria)]|[Dept. of Magnetic Resonance and Spectroscopy, University Hospital of Innsbruck (Austria); Schoen, G. [Dept. of Radiodiagnostics, University Hospital Innsbruck (Austria); Schoepf, R. [Radiologic Inst., Landeck (Austria); Mihatsch, T. [Dept. of Oto-Rhino-Laryngology, University Hospital of Innsbruck (Austria); Birbamer, G. [Dept. of Magnetic Resonance and Spectroscopy, University Hospital of Innsbruck (Austria); Wicke, K. [Inst. of Computed Tomography, University Hospital of Innsbruck (Austria)

    1993-12-01

    We describe two cases of tuberculous otitis media studied with high-resolution computed tomography (CT). Findings included extensive soft tissue densities with fluid levels in the tympanic cavity, the antrum, the mastoid and petrous air cells. Multifocal bony erosions and reactive bone sclerosis were seen as well. CT proved valuable for planning therapy by accurately displaying the involvement of the various structures of the middle and inner ear. However, the specific nature of the disease could only be presumed. (orig.)

  14. High-Resolution Wind Measurements for Offshore Wind Energy Development

    Science.gov (United States)

    Nghiem, Son V.; Neumann, Gregory

    2011-01-01

    A mathematical transform, called the Rosette Transform, together with a new method, called the Dense Sampling Method, have been developed. The Rosette Transform is invented to apply to both the mean part and the fluctuating part of a targeted radar signature using the Dense Sampling Method to construct the data in a high-resolution grid at 1-km posting for wind measurements over water surfaces such as oceans or lakes.

  15. Acute pulmonary injury: high-resolution CT and histopathological spectrum

    Science.gov (United States)

    Obadina, E T; Torrealba, J M

    2013-01-01

    Acute lung injury usually causes hypoxaemic respiratory failure and acute respiratory distress syndrome (ARDS). Although diffuse alveolar damage is the hallmark of ARDS, other histopathological patterns of injury, such as acute and fibrinoid organising pneumonia, can be associated with acute respiratory failure. Acute eosinophilic pneumonia can also cause acute hypoxaemic respiratory failure and mimic ARDS. This pictorial essay reviews the high-resolution CT findings of acute lung injury and the correlative histopathological findings. PMID:23659926

  16. High Resolution Analysis of Copy Number Mutation in Breast Cancer

    Science.gov (United States)

    2005-05-01

    Pon , in Polysaccharides in Medic- copy number at high resolution throughout the other diseases, we must distinguish abnormal inal Applications, S...was determined to in- leles . In all experiments, there were a total of silico from the human genome sequence as- volve an interchromosomal duplication...well (3), although we do not explore that approach here. PON ) = e -pb o#regular( - )#deviated [1] The negative log likelihood function satisfies an

  17. High Resolution Wavenumber Standards for the Infrared. (IUPAC Recommendations 1995)

    Science.gov (United States)

    Guelachvili, G.; Birk, M.; Bord, C.; Brault, J.; Brown, L.; Carli, B.; Cole, A.; Evenson, D.; Fayt, A.; Hausamann, D.; hide

    1995-01-01

    The calibration of high resolution infrared spectra is generally more precise than accurate even when they are recorded with Fourier interferometers. In order to improve the consistency of the spectral measurements, an IUPAC project has been undertaken. Its aim was to recommend a selection of spectral lines as wavenumber standards for absolute calibration in the infrared. This paper will report the final recommendations in the spectral range extending from about 4 to about 7000 cm(be).

  18. Validation of AIRS high-resolution stratospheric temperature retrievals

    Science.gov (United States)

    Meyer, Catrin I.; Hoffmann, Lars

    2014-10-01

    This paper focuses on stratospheric temperature observations by the Atmospheric InfraRed Sounder (AIRS) aboard NASA's Aqua satellite. We validate a nine-year record (2003 - 2011) of data retrieved with a scientific retrieval processor independent from the operational processor operated by NASA. The retrieval discussed here provides stratospheric temperature profiles for each individual AIRS footprint and has nine times better horizontal sampling than the operational data provided by NASA. The high-resolution temperature data are considered optimal for for gravity wave studies. For validation the high-resolution retrieval data are compared with results from the AIRS operational Level-2 data and the ERA-Interim meteorological reanalysis. Due to the large amount of data we performed statistical comparisons of monthly zonal mean cross-sections and time series. The comparisons show that the high-resolution temperature data are in good agreement with the validation data sets. The bias in the zonal averages is mostly within ±2K. The bias reaches a maximum of 7K to ERA-Interim and 4K to the AIRS operational data at the stratopause, it is related to the different resolutions of the data sets. Variability is nearly the same in all three data sets, having maximum standard deviations around the polar vortex in the mid and upper stratosphere. The validation presented here indicates that the high-resolution temperature retrievals are well-suited for scientific studies. In particular, we expect that they will become a valuable asset for future studies of stratospheric gravity waves.

  19. High-resolution x-ray photoemission spectra of silver

    DEFF Research Database (Denmark)

    Barrie, A.; Christensen, N. E.

    1976-01-01

    An electron spectrometer fitted with an x-ray monochromator for Al Kα1,2 radiation (1486.6 eV) has been used to record high-resolution x-ray photoelectron spectra for the 4d valence band as well as the 3d spin doublet in silver. The core-level spectrum has a line shape that can be described...

  20. High Resolution Measurements and Electronic Structure Calculations of a Diazanaphthalene

    Science.gov (United States)

    Gruet, Sébastien; Goubet, Manuel; Pirali, Olivier

    2014-06-01

    Polycyclic Aromatic Hydrocarbons (PAHs) have long been suspected to be the carriers of so called Unidentified Infrared Bands (UIBs). Most of the results published in the literature report rotationally unresolved spectra of pure carbon as well as heteroatom-containing PAHs species. To date for this class of molecules, the principal source of rotational informations is ruled by microwave (MW) spectroscopy while high resolution measurements reporting rotational structure of the infrared (IR) vibrational bands are very scarce. Recently, some high resolution techniques provided interesting new results to rotationally resolve the IR and far-IR bands of these large carbonated molecules of astrophysical interest. One of them is to use the bright synchrotron radiation as IR continuum source of a high resolution Fourier transform (FTIR) spectrometer. We report the very complementary analysis of the [1,6] naphthyridine (a N-bearing PAH) for which we recorded the microwave spectrum at the PhLAM laboratory (Lille) and the high resolution far-infrared spectrum on the AILES beamline at synchrotron facility SOLEIL. MW spectroscopy provided highly accurate rotational constants in the ground state to perform Ground State Combinations Differences (GSCD) allowing the analysis of the two most intense FT-FIR bands in the 50-900 wn range. Moreover, during this presentation the negative value of the inertial defect in the GS of the molecule will be discussed. A. Leger, J. L. Puget, Astron. Astrophys. 137, L5-L8 (1984) L. J. Allamandola et al. Astrophys. J. 290, L25-L28 (1985). Z. Kisiel et al. J. Mol. Spectrosc. 217, 115 (2003) S. Thorwirth et al. Astrophys. J. 662, 1309 (2007) D. McNaughton et al. J. Chem. Phys. 124, 154305 (2011). S. Albert et al. Faraday Discuss. 150, 71-99 (2011) B. E. Brumfield et al. Phys. Chem. Lett. 3, 1985-1988 (2012) O. Pirali et al. Phys. Chem. Chem. Phys. 15, 10141 (2013).

  1. High-resolution CT findings in Streptococcus milleri pulmonary infection.

    Science.gov (United States)

    Okada, F; Ono, A; Ando, Y; Nakayama, T; Ishii, H; Hiramatsu, K; Sato, H; Kira, A; Otabe, M; Mori, H

    2013-06-01

    To assess pulmonary high-resolution computed tomography (CT) findings in patients with acute Streptococcus milleri pulmonary infection. Sixty consecutive patients with acute S. milleri pneumonia who had undergone high-resolution CT chest examinations between January 2004 and March 2010 were retrospectively identified. Twenty-seven patients with concurrent infections were excluded. The final study group comprised 33 patients (25 men, 8 women; aged 20-88 years, mean 63.1 years) with S. milleri infection. The patients' clinical findings were assessed. Parenchymal abnormalities, enlarged lymph nodes, and pleural effusion were evaluated on high-resolution CT. Underlying conditions included malignancy (n = 15), a smoking habit (n = 11), and diabetes mellitus (n = 8). CT images of all patients showed abnormal findings, including ground-glass opacity (n = 24), bronchial wall thickening (n = 23), consolidation (n = 17), and cavities (n = 7). Pleural effusion was found in 18 patients, and complex pleural effusions were found in seven patients. Pulmonary infection caused by S. milleri was observed mostly in male patients with underlying conditions such as malignancy or a smoking habit. The CT findings in patients with S. milleri consisted mainly of ground-glass opacity, bronchial wall thickening, pleural effusions, and cavities. Copyright © 2013 The Royal College of Radiologists. Published by Elsevier Ltd. All rights reserved.

  2. Adaptive optics with pupil tracking for high resolution retinal imaging.

    Science.gov (United States)

    Sahin, Betul; Lamory, Barbara; Levecq, Xavier; Harms, Fabrice; Dainty, Chris

    2012-02-01

    Adaptive optics, when integrated into retinal imaging systems, compensates for rapidly changing ocular aberrations in real time and results in improved high resolution images that reveal the photoreceptor mosaic. Imaging the retina at high resolution has numerous potential medical applications, and yet for the development of commercial products that can be used in the clinic, the complexity and high cost of the present research systems have to be addressed. We present a new method to control the deformable mirror in real time based on pupil tracking measurements which uses the default camera for the alignment of the eye in the retinal imaging system and requires no extra cost or hardware. We also present the first experiments done with a compact adaptive optics flood illumination fundus camera where it was possible to compensate for the higher order aberrations of a moving model eye and in vivo in real time based on pupil tracking measurements, without the real time contribution of a wavefront sensor. As an outcome of this research, we showed that pupil tracking can be effectively used as a low cost and practical adaptive optics tool for high resolution retinal imaging because eye movements constitute an important part of the ocular wavefront dynamics.

  3. Sharpening high resolution information in single particle electron cryomicroscopy.

    Science.gov (United States)

    Fernández, J J; Luque, D; Castón, J R; Carrascosa, J L

    2008-10-01

    Advances in single particle electron cryomicroscopy have made possible to elucidate routinely the structure of biological specimens at subnanometer resolution. At this resolution, secondary structure elements are discernable by their signature. However, identification and interpretation of high resolution structural features are hindered by the contrast loss caused by experimental and computational factors. This contrast loss is traditionally modeled by a Gaussian decay of structure factors with a temperature factor, or B-factor. Standard restoration procedures usually sharpen the experimental maps either by applying a Gaussian function with an inverse ad hoc B-factor, or according to the amplitude decay of a reference structure. EM-BFACTOR is a program that has been designed to widely facilitate the use of the novel method for objective B-factor determination and contrast restoration introduced by Rosenthal and Henderson [Rosenthal, P.B., Henderson, R., 2003. Optimal determination of particle orientation, absolute hand, and contrast loss in single-particle electron cryomicroscopy. J. Mol. Biol. 333, 721-745]. The program has been developed to interact with the most common packages for single particle electron cryomicroscopy. This sharpening method has been further investigated via EM-BFACTOR, concluding that it helps to unravel the high resolution molecular features concealed in experimental density maps, thereby making them better suited for interpretation. Therefore, the method may facilitate the analysis of experimental data in high resolution single particle electron cryomicroscopy.

  4. Glacial lake mapping with very high resolution satellite SAR data

    Science.gov (United States)

    Strozzi, T.; Wiesmann, A.; Kääb, A.; Joshi, S.; Mool, P.

    2012-08-01

    Floods resulting from the outbursts of glacial lakes are among the most far-reaching disasters in high mountain regions. Glacial lakes are typically located in remote areas and space-borne remote sensing data are an important source of information about the occurrence and development of such lakes. Here we show that very high resolution satellite Synthetic Aperture Radar (SAR) data can be employed for reliably mapping glacial lakes. Results in the Alps, Pamir and Himalaya using TerraSAR-X and Radarsat-2 data are discussed in comparison to in-situ information, and high-resolution satellite optical and radar imagery. The performance of the satellite SAR data is best during the snow- and ice-free season. In the broader perspective of hazard management, the detection of glacial lakes and the monitoring of their changes from very high-resolution satellite SAR intensity images contributes to the initial assessment of hazards related to glacial lakes, but a more integrated, multi-level approach needs also to include other relevant information such as glacier outlines and outline changes or the identification of unstable slopes above the lake and the surrounding area, information types to which SAR analysis techniques can also contribute.

  5. High Resolution Observations of Escaping Ions in the Martian Magnetotail

    Science.gov (United States)

    Halekas, J. S.; Raman, C.; Brain, D.; DiBraccio, G. A.; Harada, Y.; McFadden, J. P.; Mitchell, D. L.; Connerney, J. E. P.; Jakosky, B. M.

    2016-12-01

    Ions escape from the Martian upper atmosphere via a number of channels, including the central plasmasheet of the magnetotail. Mars Express observations show that the heavy ions O+ and O2+ escaping through the central tail often have approximately the same energy, suggesting acceleration in a quasi-static electric field, which has been interpreted as a Hall electric field. The Solar Wind Ion Analyzer (SWIA) on MAVEN was designed to measure the upstream solar wind. However, during orbit segments with appropriate spacecraft attitude, SWIA can also make high resolution measurements of escaping ions in the tail. During the prime mission, these observations were only returned sporadically, during periods of intense escaping fluxes that fortuitously triggered a mode switch. Now, in the extended mission, we return high resolution observations from SWIA routinely. Some of these high resolution measurements reveal slight differences in both the direction and energy of escaping O+ and O2+ ions, which may help determine the acceleration process(es). We investigate the location and solar wind conditions for which the escaping ions separate in energy and angle and the systematics of their energies and flow vectors, and discuss the implications for ion acceleration and the overall picture of Martian atmospheric escape.

  6. High resolution, MRI-based, segmented, computerized head phantom

    Energy Technology Data Exchange (ETDEWEB)

    Zubal, I.G.; Harrell, C.R.; Smith, E.O.; Smith, A.L.; Krischlunas, P. [Yale Univ., New Haven, CT (United States). Dept. of Diagnostic Radiology

    1999-01-01

    The authors have created a high-resolution software phantom of the human brain which is applicable to voxel-based radiation transport calculations yielding nuclear medicine simulated images and/or internal dose estimates. A software head phantom was created from 124 transverse MRI images of a healthy normal individual. The transverse T2 slices, recorded in a 256x256 matrix from a GE Signa 2 scanner, have isotropic voxel dimensions of 1.5 mm and were manually segmented by the clinical staff. Each voxel of the phantom contains one of 62 index numbers designating anatomical, neurological, and taxonomical structures. The result is stored as a 256x256x128 byte array. Internal volumes compare favorably to those described in the ICRP Reference Man. The computerized array represents a high resolution model of a typical human brain and serves as a voxel-based anthropomorphic head phantom suitable for computer-based modeling and simulation calculations. It offers an improved realism over previous mathematically described software brain phantoms, and creates a reference standard for comparing results of newly emerging voxel-based computations. Such voxel-based computations lead the way to developing diagnostic and dosimetry calculations which can utilize patient-specific diagnostic images. However, such individualized approaches lack fast, automatic segmentation schemes for routine use; therefore, the high resolution, typical head geometry gives the most realistic patient model currently available.

  7. Climatologies at high resolution for the earth's land surface areas

    Science.gov (United States)

    Karger, Dirk Nikolaus; Conrad, Olaf; Böhner, Jürgen; Kawohl, Tobias; Kreft, Holger; Soria-Auza, Rodrigo Wilber; Zimmermann, Niklaus E.; Linder, H. Peter; Kessler, Michael

    2017-09-01

    High-resolution information on climatic conditions is essential to many applications in environmental and ecological sciences. Here we present the CHELSA (Climatologies at high resolution for the earth's land surface areas) data of downscaled model output temperature and precipitation estimates of the ERA-Interim climatic reanalysis to a high resolution of 30 arc sec. The temperature algorithm is based on statistical downscaling of atmospheric temperatures. The precipitation algorithm incorporates orographic predictors including wind fields, valley exposition, and boundary layer height, with a subsequent bias correction. The resulting data consist of a monthly temperature and precipitation climatology for the years 1979-2013. We compare the data derived from the CHELSA algorithm with other standard gridded products and station data from the Global Historical Climate Network. We compare the performance of the new climatologies in species distribution modelling and show that we can increase the accuracy of species range predictions. We further show that CHELSA climatological data has a similar accuracy as other products for temperature, but that its predictions of precipitation patterns are better.

  8. Development of a High-performance Optical System and Fluorescent Converters for High-resolution Neutron Imaging

    Science.gov (United States)

    Sakai, T.; Yasuda, R.; Iikura, H.; Nojima, T.; Matsubayashi, M.

    Two novel devices for use in neutron imaging technique are introduced. The first one is a high-performance optical lens for video camera systems. The lens system has a magnification of 1:1 and an F value of 3. The optical resolution is less than 5 μm. The second device is a high-resolution fluorescent plate that converts neutrons into visible light. The fluorescent converter material consists of a mixture of 6LiF and ZnS(Ag) fine powder, and the thickness of the converter is material is as little as 15 μm. The surface of the plate is coated with a 1 μm-thick gadolinium oxide layer. This layer is optically transparent and acts as an electron emitter for neutron detection. Our preliminary results show that the developed optical lens and fluorescent converter plates are very promising for high-resolution neutron imaging.

  9. High-resolution x-ray characterization of mosaic crystals for hard x-ray astronomy

    Science.gov (United States)

    Ferrari, Claudio; Buffagni, Elisa; Marchini, Laura; Zappettini, Andrea

    2012-04-01

    GaAs, Cu, CdTe, and CdZnTe crystals have been studied as optical elements for lenses for hard x-ray astronomy. High-resolution x-ray diffraction at 8 keV in Bragg geometry and at synchrotron at energies up to 500 keV in Laue geometry has been used. A good agreement was found between the mosaicity evaluated in Bragg geometry at 8 keV with x-ray penetration of the order of few tens of micrometers and that derived at synchrotron in transmission Laue geometry at higher x-ray energies. Mosaicity values in a range between a few to 150 arcsec were found in all the samples but, due to the presence of crystal grains in the cm range, CdTe and CdZnTe crystals were found not suitable. Cu crystals exhibit a mosaicity of the order of several arcmin; they indeed were found to be severely affected by cutting damage which could only be removed with a very deep etching. The full width at half maximum of the diffraction peaks decreased at higher x-ray energies showing that the peak broadening is affected by crystallite size. GaAs crystals grown by Czochralski method showed a mosaic spread up to 30 arcsec and good diffraction efficiency up to energies of 500 keV. The use of thermal treatments as a possible method to increase the mosaic spread was also evaluated.

  10. High-Resolution Structure of the Photosynthetic Mn4Ca Catalyst from X-ray Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yachandra, Vittal; Yano, Junko; Kern, Jan; Pushkar, Yulia; Sauer, Kenneth; Glatzel, Pieter; Bergmann, Uwe; Messinger, Johannes; Zouni, Athina; Yachandra, Vittal K.

    2007-08-01

    The application of high-resolution X-ray spectroscopy methods to study the photosynthetic water oxidizing complex, which contains a unique hetero-nuclear catalytic Mn4Ca cluster, are described. Issues of X-ray damage especially at the metal sites in the Mn4Ca cluster are discussed. The structure of the Mn4Ca catalyst at high-resolution which has so far eluded attempts of determination by X-ray diffraction, EXAFS and other spectroscopic techniques has been addressed using polarized EXAFS techniques applied to oriented PS II membrane preparations and PS II single crystals. A review of how the resolution of traditional EXAFS techniques can be improved, using methods such as range-extended EXAFS is presented, and the changes that occur in the structure of the cluster as it advances through the catalytic cycle are described. X-ray absorption and emission techniques (XANES and K? emission) have been used earlier to determine the oxidation states of the Mn4Ca cluster, and in this report we review the use of X-ray resonant Raman spectroscopy to understand the electronic structure of the Mn4Ca cluster as it cycles through the intermediate S-states.

  11. High-resolution image reconstruction for GRIN rod lens probe (Conference Presentation)

    Science.gov (United States)

    Kim, Hyung-Jin; Park, Kwan Jun; Yang, Taeseok D.; Choi, Wonshik; Kim, Beop-Min; Choi, Youngwoon

    2017-02-01

    Graded-index (GRIN) lenses have been widely used for developing compact imaging devices due to the small dimensions and simple optics designs. GRIN lenses, however, have intrinsic aberration which causes a distortion of the image and thus are subject to limited resolution and blurred imaging quality. Here, we employ the high-precision wavefront measurement technique for compensation of the distortion of a GRIN lens to obtain a high-resolution and high-contrast image. In doing so, we demonstrate a high-resolution and ultra-thin endo-microscope using a GRIN. A reflection-type interferometric microscope through a GRIN lens was constructed using multiple lasers (473 nm, 532 nm, and 633 nm) as light sources. The characteristics of the aberration of the GRIN lens were measured using the digital holographic method. The distortion of the GRIN lens was removed by numerical image processing with the prior information from the pre-calibration. We apply this technique to a reflection image of biological tissues acquired by our custom-built GRIN lens probe. Consequently, a diffraction limited lateral resolution as well as improved axial resolution can be achieved. Our approach will facilitate the use of GRIN lenses for compact imaging devices without compromising optical resolution and image quality.

  12. Measurement of the Radial Velocity of Vega and SAO 104807 by high resolution spectrometry

    Science.gov (United States)

    Rosas, F.; Ordoñez, J.; Suarez, W.; Quijano, A.

    2017-07-01

    The radial velocity is the component of the velocity with which a celestial object approaches (blueshift) or go away (redshift) of the observer. The precise measurement of the redshift allowed to Humason and Hubble discover the expansion of the Universe. In 1998 two research teams simultaneously discovered that this expansion is accelerated, for that reason the hypothesis of the dark energy has been raised to explain the existing repulsion. The present work shows the measurement of the radial velocity of Vega and SAO104807 by high resolution spectrometry. Using the instruments of the Astronomical Observatory of the University of Nariño, located in the south of Colombia, was measured the displacement that the spectral lines of both celestial objects suffer due to the Doppler effect. The results obtained were quite close to those recorded in databases such as SIMBAD, according to the used equipment. The instruments used were: Celestron CGE Pro 1400 Telescope, Shelyak LHIRES III High Resolution Spectrometer and SBIG ST-8300 CCD Camera. The characteristics of the spectrometer are: Diffraction grating: 2400 lines/mm, Spectral dispersion (H alpha): 0:012 nm/pixel, Radial velocity resolution: 5 km/s.

  13. Diamond-machined ZnSe immersion grating for NIR high-resolution spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ikeda, Y; Kobayashi, N; Kuzmenko, P J; Little, S L; Yasui, C; Kondo, S; Minami, A; Motohara, K

    2008-07-25

    ZnSe immersion gratings (n {approx} 2.45) provide the possibility of high-resolution spectroscopy for the near-infrared (NIR) region. Since ZnSe has a lower internal attenuation than other NIR materials, it is most suitable for immersion grating, particularly in short NIR region (0.8-1.4 {micro}m). We are developing an extremely high-resolution spectrograph with {lambda}/{Delta}{lambda} = 100,000, WINERED, customized for the short NIR region, using ZnSe (or ZnS) immersion grating. However, it had been very difficult to make fine grooves on ZnSe substrate with a small pitch of less than 50 {micro}m because ZnSe is a soft/brittle material. We have overcome this problem and successfully machined sharp grooves with fine pitch on ZnSe substrates by nano precision fly-cutting technique at LLNL. The optical testing of the sample grating with HeNe laser shows an excellent performance: the relative efficiency more than 87.4 % at 0.633 {micro}m for a classical grating configuration. The diffraction efficiency when used as an immersion grating is estimated to be more than 65 % at 1 {micro}m. Following this progress, we are about to start machining a grating on a large ZnSe prism with an entrance aperture of 23mm x 50mm and the blaze angle of 70{sup o}.

  14. Non-contact distance measurement and profilometry using thermal near-field radiation towards a high resolution inspection and metrology solution

    NARCIS (Netherlands)

    Bijster, R.J.F.; Sadeghian Marnani, H.; van Keulen, A.; Sanchez, M.I.; Ukraintsev, V.A.

    2016-01-01

    Optical near-field technologies such as solid immersion lenses and hyperlenses are candidate solutions for high resolution and high throughput wafer inspection and metrology for the next technology nodes. Besides sub-diffraction limited optical performance, these concepts share the necessity of

  15. Development of a High Resolution X-ray Spectrometer on the National Ignition Facility

    Science.gov (United States)

    Gao, L.; Kraus, B.; Hill, K. W.; Bitter, M.; Efthimion, P.; Schneider, M. B.; Chen, H.; Ayers, J.; Liedahl, D.; Macphee, A. G.; Le, H. P.; Thorn, D.; Nelson, D.

    2017-10-01

    A high-resolution x-ray spectrometer has been designed, calibrated, and deployed on the National Ignition Facility (NIF) to measure plasma parameters for a Kr-doped surrogate capsule imploded at NIF conditions. Two conical crystals, each diffracting the He α and He β complexes respectively, focus the spectra onto a steak camera photocathode for time-resolved measurements with a temporal resolution of NIF experimental results will also be discussed. This work was performed under the auspices of the U.S. Department of Energy by Princeton Plasma Physics Laboratory under contract DE-AC02-09CH11466 and by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

  16. Conception of broadband stigmatic high-resolution spectrometers for the soft X-ray range

    Energy Technology Data Exchange (ETDEWEB)

    Vishnyakov, E A; Shatokhin, A N; Ragozin, E N [P N Lebedev Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation)

    2015-04-30

    We formulate an approach to the development of stigmatic high-resolution spectral instruments for the soft X-ray range (λ ≤ 300 Å), which is based on the combined operation of normalincidence multilayer mirrors (including broadband aperiodic ones) and grazing-incidence reflection gratings with nonequidistant grooves (so-called VLS gratings). A concave multilayer mirror serves to produce a slightly astigmatic image of the radiation source (for instance, an entrance slit), and the diffraction grating produces a set of its dispersed stigmatic spectral images. The width of the operating spectral region is determined by the aperiodic structure of the multilayer mirror and may range up to an octave in wavelength. (laser applications and other topics in quantum electronics)

  17. Aberration production using a high-resolution liquid-crystal spatial light modulator.

    Science.gov (United States)

    Schmidt, Jason D; Goda, Matthew E; Duncan, Bradley D

    2007-05-01

    Phase-only liquid-crystal spatial light modulators provide a powerful means of wavefront control. With high resolution and diffractive (modulo 2pi) operation, they can accurately represent large-dynamic-range phase maps. As a result, they provide an excellent means of producing electrically controllable, dynamic, and repeatable aberrations. However, proper calibration is critical to achieving accurate phase maps. Several calibration methods from previous literature were considered. With simplicity and accuracy in mind, we selected one method for each type of necessary calibration. We augmented one of the selected methods with a new step that improves its accuracy. After calibrating our spatial light modulator with our preferred methods, we evaluated its ability to produce aberrations in the laboratory. We studied Zernike polynomial aberrations using interferometry and Fourier-transform-plane images, and atmospheric aberrations using a Shack-Hartmann wavefront sensor. These measurements show the closest agreement with theoretical expectations that we have seen to date.

  18. Estimations of bulk geometrically necessary dislocation density using high resolution EBSD.

    Science.gov (United States)

    Ruggles, T J; Fullwood, D T

    2013-10-01

    Characterizing the content of geometrically necessary dislocations (GNDs) in crystalline materials is crucial to understanding plasticity. Electron backscatter diffraction (EBSD) effectively recovers local crystal orientation, which is used to estimate the lattice distortion, components of the Nye dislocation density tensor (α), and subsequently the local bulk GND density of a material. This paper presents a complementary estimate of bulk GND density using measurements of local lattice curvature and strain gradients from more recent high resolution EBSD (HR-EBSD) methods. A continuum adaptation of classical equations for the distortion around a dislocation are developed and used to simulate random GND fields to validate the various available approximations of GND content. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Simulation of high-resolution X-ray microscopic images for improved alignment

    Energy Technology Data Exchange (ETDEWEB)

    Song Xiangxia; Zhang Xiaobo; Liu Gang; Cheng Xianchao; Li Wenjie; Guan Yong; Liu Ying; Xiong Ying [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029 (China); Tian Yangchao, E-mail: ychtian@ustc.edu.cn [National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029 (China)

    2011-12-11

    The introduction of precision optical elements to X-ray microscopes necessitates fine realignment to achieve optimal high-resolution imaging. In this paper, we demonstrate a numerical method for simulating image formation that facilitates alignment of the source, condenser, objective lens, and CCD camera. This algorithm, based on ray-tracing and Rayleigh-Sommerfeld diffraction theory, is applied to simulate the X-ray microscope beamline U7A of National Synchrotron Radiation Laboratory (NSRL). The simulations and imaging experiments show that the algorithm is useful for guiding experimental adjustments. Our alignment simulation method is an essential tool for the transmission X-ray microscope (TXM) with optical elements and may also be useful for the alignment of optical components in other modes of microscopy.

  20. Silicon solid/state linear arrays for multispectral high resolution imaging systems

    Science.gov (United States)

    Thompson, L. L.

    1975-01-01

    Solid-state, electronically scanned, linear detector arrays are now available which can be used in a pushbroom scan mode imaging system for high-resolution multispectral earth resource survey applications. These arrays provide high performance in the visible to near-IR region. Two performance criteria must be assessed in the choice of a detector array: signal-to-noise ratio and spectral response. Consideration of diffraction limitations shows that optics size cannot be significantly reduced by using very low-noise detectors. The required spectral response for a viable detector array should not have spectral ripples that cause a low-level, but significant, error in the detected effective reflectance of the target.

  1. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    Energy Technology Data Exchange (ETDEWEB)

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  2. High resolution solar observations from first principles to applications

    Science.gov (United States)

    Verdoni, Angelo P.

    2009-10-01

    The expression "high-resolution observations" in Solar Physics refers to the spatial, temporal and spectral domains in their entirety. High-resolution observations of solar fine structure are a necessity to answer many of the intriguing questions related to solar activity. However, a researcher building instruments for high-resolution observations has to cope with the fact that these three domains often have diametrically opposed boundary conditions. Many factors have to be considered in the design of a successful instrument. Modern post-focus instruments are more closely linked with the solar telescopes that they serve than in past. In principle, the quest for high-resolution observations already starts with the selection of the observatory site. The site survey of the Advanced Technology Solar Telescope (ATST) under the stewardship of the National Solar Observatory (NSO) has identified Big Bear Solar Observatory (BBSO) as one of the best sites for solar observations. In a first step, the seeing characteristics at BBSO based on the data collected for the ATST site survey are described. The analysis will aid in the scheduling of high-resolution observations at BBSO as well as provide useful information concerning the design and implementation of a thermal control system for the New Solar Telescope (NST). NST is an off-axis open-structure Gregorian-style telescope with a 1.6 m aperture. NST will be housed in a newly constructed 5/8-sphere ventilated dome. With optics exposed to the surrounding air, NST's open-structure design makes it particularly vulnerable to the effects of enclosure-related seeing. In an effort to mitigate these effects, the initial design of a thermal control system for the NST dome is presented. The goal is to remediate thermal related seeing effects present within the dome interior. The THermal Control System (THCS) is an essential component for the open-telescope design of NST to work. Following these tasks, a calibration routine for the

  3. Proceedings of the workshop on high resolution computed microtomography (CMT)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-02-01

    The purpose of the workshop was to determine the status of the field, to define instrumental and computational requirements, and to establish minimum specifications required by possible users. The most important message sent by implementers was the remainder that CMT is a tool. It solves a wide spectrum of scientific problems and is complementary to other microscopy techniques, with certain important advantages that the other methods do not have. High-resolution CMT can be used non-invasively and non-destructively to study a variety of hierarchical three-dimensional microstructures, which in turn control body function. X-ray computed microtomography can also be used at the frontiers of physics, in the study of granular systems, for example. With high-resolution CMT, for example, three-dimensional pore geometries and topologies of soils and rocks can be obtained readily and implemented directly in transport models. In turn, these geometries can be used to calculate fundamental physical properties, such as permeability and electrical conductivity, from first principles. Clearly, use of the high-resolution CMT technique will contribute tremendously to the advancement of current R and D technologies in the production, transport, storage, and utilization of oil and natural gas. It can also be applied to problems related to environmental pollution, particularly to spilling and seepage of hazardous chemicals into the Earth's subsurface. Applications to energy and environmental problems will be far-ranging and may soon extend to disciplines such as materials science--where the method can be used in the manufacture of porous ceramics, filament-resin composites, and microelectronics components--and to biomedicine, where it could be used to design biocompatible materials such as artificial bones, contact lenses, or medication-releasing implants. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database.

  4. Measuring Large-Scale Social Networks with High Resolution

    DEFF Research Database (Denmark)

    Stopczynski, Arkadiusz; Sekara, Vedran; Sapiezynski, Piotr

    2014-01-01

    , telecommunication, social networks, location, and background information (personality, demographics, health, politics) for a densely connected population of 1 000 individuals, using state-of-the-art smartphones as social sensors. Here we provide an overview of the related work and describe the motivation...... and research agenda driving the study. Additionally, the paper details the data-types measured, and the technical infrastructure in terms of both backend and phone software, as well as an outline of the deployment procedures. We document the participant privacy procedures and their underlying principles....... The paper is concluded with early results from data analysis, illustrating the importance of multi-channel high-resolution approach to data collection....

  5. High resolution wind turbine wake measurements with a scanning lidar

    DEFF Research Database (Denmark)

    Herges, T. G.; Maniaci, D. C.; Naughton, B. T.

    2017-01-01

    High-resolution lidar wake measurements are part of an ongoing field campaign being conducted at the Scaled Wind Farm Technology facility by Sandia National Laboratories and the National Renewable Energy Laboratory using a customized scanning lidar from the Technical University of Denmark. One...... of the primary objectives is to collect experimental data to improve the predictive capability of wind plant computational models to represent the response of the turbine wake to varying inflow conditions and turbine operating states. The present work summarizes the experimental setup and illustrates several...

  6. High-resolution AMLCD for the electronic library system

    Science.gov (United States)

    Martin, Russel A.; Middo, Kathy; Turner, William D.; Lewis, Alan; Thompson, Malcolm J.; Silverstein, Louis D.

    1994-06-01

    The Electronic Library System (ELS), is a proposed data resource for the cockpit which can provide the aircrew with a vast array of technical information on their aircraft and flight plan. This information includes, but is not limited to, approach plates, Jeppeson Charts, and aircraft technical manuals. Most of these data are appropriate for digitization at high resolution (300 spi). Xerox Corporation has developed a flat panel active matrix liquid crystal display, AMLCD, that is an excellent match to the ELS, due to its innovative and aggressive design.

  7. High resolution study of magnetic ordering at absolute zero.

    Science.gov (United States)

    Lee, M; Husmann, A; Rosenbaum, T F; Aeppli, G

    2004-05-07

    High resolution pressure measurements in the zero-temperature limit provide a unique opportunity to study the behavior of strongly interacting, itinerant electrons with coupled spin and charge degrees of freedom. Approaching the precision that has become the hallmark of experiments on classical critical phenomena, we characterize the quantum critical behavior of the model, elemental antiferromagnet chromium, lightly doped with vanadium. We resolve the sharp doubling of the Hall coefficient at the quantum critical point and trace the dominating effects of quantum fluctuations up to surprisingly high temperatures.

  8. High resolution X-ray spectroscopy in light antiprotonic atoms

    CERN Document Server

    Borchert, G L; Augsburger, M A; Castelli, C M; Chatellard, D; Egger, J P; El-Khoury, P; Elble, M; Gorke, H; Gotta, D; Hauser, P R; Indelicato, P J; Kirch, K; Lenz, S; Nelms, N; Rashid, K; Schult, O W B; Siems, T; Simons, L M

    2000-01-01

    At the LEAR facility, CERN, antiprotonic L alpha transitions in light elements have been investigated with a focussing crystal spectrometer. The high resolution of the experiment allowed for the first time to resolve in pH/pH the 2/sup 3/P/sub 0/ state from the close-lying states 2/sup 3/P/sub 2/, 2/sup 1/P/sub 1/, and 2/sup 3/P /sub 1/. In pD the corresponding transitions were found to be more than an order of magnitude broader. To a large extent the results for pH support the meson exchange model. (15 refs).

  9. Laser ablated hydantoin: A high resolution rotational study

    Science.gov (United States)

    Alonso, Elena R.; Kolesniková, Lucie; Alonso, José L.

    2017-09-01

    Laser ablation techniques coupled with broadband and narrowband Fourier transform microwave spectroscopies have allowed the high resolution rotational study of solid hydantoin, an important target in astrochemistry as a possible precursor of glycine. The complicated hyperfine structure arising from the presence of two 14N nuclei in non-equivalent positions has been resolved and interpreted in terms of the nuclear quadrupole coupling interactions. The results reported in this work provide a solid base for the interstellar searches of hydantoin in the astrophysical surveys. The values of the nuclear quadrupole coupling constants have been also discussed in terms of the electronic environment around the respective nitrogen atom.

  10. High Resolution-Resonance Ionization Spectroscopy on uranium

    Energy Technology Data Exchange (ETDEWEB)

    Hakimi, Amin, E-mail: hakimi@uni-mainz.de; Fischbach, Thomas [Johannes Gutenberg-Universitaet Mainz, Institut fuer Physik (Germany); Raeder, Sebastian [TRIUMF (Canada); Trautmann, Norbert [Johannes Gutenberg-Universitaet Mainz, Institut fuer Kernchemie (Germany); Wendt, Klaus [Johannes Gutenberg-Universitaet Mainz, Institut fuer Physik (Germany)

    2013-04-15

    High Resolution-Resonance Ionization Spectroscopy (HR-RIS) allows for sensitive probing of atomic structures and energy level schemes even for highly complex systems. This work explores the applicability of commercial diode lasers for isotope selective spectroscopy of uranium. Using narrow bandwidth continuous-wave (cw) diode lasers, multi step excitation processes were investigated involving levels which could be populated with the radiation of 405 nm BluRay{sup Copyright-Sign} laser diodes as a first step for ultra trace analysis of uranium.

  11. Invited article: High resolution digital camera for infrared reflectography.

    Science.gov (United States)

    Falco, Charles M

    2009-07-01

    This paper describes the characteristics of a high resolution infrared (IR) imaging system operating over the wavelength range of 830-1100 nm, based on a modified 8 Mpixels commercial digital camera, with which nonspecialists can obtain IR reflectograms of works of art in situ in a museum environment. The relevant imaging properties of sensitivity, resolution, noise, and contrast are characterized and the capabilities of this system are illustrated with an example that has revealed important new information about the working practices of a 16th century artist.

  12. Achieving High Resolution Timer Events in Virtualized Environment.

    Science.gov (United States)

    Adamczyk, Blazej; Chydzinski, Andrzej

    2015-01-01

    Virtual Machine Monitors (VMM) have become popular in different application areas. Some applications may require to generate the timer events with high resolution and precision. This however may be challenging due to the complexity of VMMs. In this paper we focus on the timer functionality provided by five different VMMs-Xen, KVM, Qemu, VirtualBox and VMWare. Firstly, we evaluate resolutions and precisions of their timer events. Apparently, provided resolutions and precisions are far too low for some applications (e.g. networking applications with the quality of service). Then, using Xen virtualization we demonstrate the improved timer design that greatly enhances both the resolution and precision of achieved timer events.

  13. Clickstream data yields high-resolution maps of science

    Energy Technology Data Exchange (ETDEWEB)

    Bollen, Johan [Los Alamos National Laboratory; Van De Sompel, Herbert [Los Alamos National Laboratory; Hagberg, Aric [Los Alamos National Laboratory; Bettencourt, Luis [Los Alamos National Laboratory; Chute, Ryan [Los Alamos National Laboratory; Rodriguez, Marko A [Los Alamos National Laboratory; Balakireva, Lyudmila [Los Alamos National Laboratory

    2009-01-01

    Intricate maps of science have been created from citation data to visualize the structure of scientific activity. However, most scientific publications are now accessed online. Scholarly web portals record detailed log data at a scale that exceeds the number of all existing citations combined. Such log data is recorded immediately upon publication and keeps track of the sequences of user requests (clickstreams) that are issued by a variety of users across many different domains. Given these advantagees of log datasets over citation data, we investigate whether they can produce high-resolution, more current maps of science.

  14. Tests of a High Resolution Beam Profile Monitor

    Energy Technology Data Exchange (ETDEWEB)

    Norem, J.

    2004-10-28

    High energy linear colliders require very small beams at the interaction point to produce high luminosities, and these beams must be measured and monitored. We have developed and tested a technique where the profile can be obtained from an extension of pinhole camera optics using thick, single sided collimators and slits. Very high resolutions (a few nm) should be possible. Gamma beams can be obtained from bremsstrahlung, Compton or beamstrahlung radiation. We describe tests of the technique using bremsstrahlung from an 800 MeV electron beam at Bates/MIT, Compton scattered photons from 47 GeV Final Focus Test Beam (FFTB) at SLAC, and other applications, such as linear colliders.

  15. High-resolution seismic wave propagation using local time stepping

    KAUST Repository

    Peter, Daniel

    2017-03-13

    High-resolution seismic wave simulations often require local refinements in numerical meshes to accurately capture e.g. steep topography or complex fault geometry. Together with explicit time schemes, this dramatically reduces the global time step size for ground-motion simulations due to numerical stability conditions. To alleviate this problem, local time stepping (LTS) algorithms allow an explicit time stepping scheme to adapt the time step to the element size, allowing nearoptimal time steps everywhere in the mesh. This can potentially lead to significantly faster simulation runtimes.

  16. High-resolution overtone spectra of molecular complexes

    Science.gov (United States)

    Didriche, K.; Földes, T.

    2013-02-01

    A high-resolution spectrum of the acetylene-water complex has been recorded in the overtone range. Two bands of C2H2-D2O were analysed, corresponding to the overtone excitations of either the acetylene or the water units. The vibrational shifts and the upper states rotational constants were retrieved, demonstrating that the geometry of the complex is only slightly modified by the excitation. A larger linewidth was observed for the 2CH band than for the 2OD + DOD band, probably due to the direct coupling of the 2CH excitation with the dissociation coordinate.

  17. High resolution skin colorimetry, strain mapping and mechanobiology.

    Science.gov (United States)

    Devillers, C; Piérard-Franchimont, C; Schreder, A; Docquier, V; Piérard, G E

    2010-08-01

    Skin colours are notoriously different between individuals. They are governed by ethnicities and phototypes, and further influenced by a variety of factors including photoexposures and sustained mechanical stress. Indeed, mechanobiology is a feature affecting the epidermal melanization. High-resolution epiluminescence colorimetry helps in deciphering the effects of forces generated by Langer's lines or relaxed skin tension lines on the melanocyte activity. The same procedure shows a prominent laddering pattern of melanization in striae distensae contrasting with the regular honeycomb pattern in the surrounding skin.

  18. Neutron diffraction evidence of microscopic charge inhomogeneities in the CuO2 plane of superconducting La2-xSrxCuO4 (0

    Science.gov (United States)

    Bozin, E S; Kwei, G H; Takagi, H; Billinge, S J

    2000-06-19

    High-resolution atomic pair distribution functions have been obtained using neutron powder diffraction data from La2-xSrxCuO4 over the range of doping 0distribution as a function of doping up to optimal doping. Thereafter the peak abruptly sharpens. The peak broadening can be well explained by a local microscopic coexistence of doped and undoped material. This suggests a crossover from a charge inhomogeneous state at and below optimal doping to a homogeneous charge state above optimal doping.

  19. Neutron Diffraction Evidence of Microscopic Charge Inhomogeneities in the CuO2 Plane of Superconducting La2-xSrxCuO4 ( 0 <= x <= 0.30)

    Science.gov (United States)

    Božin, E. S.; Kwei, G. H.; Takagi, H.; Billinge, S. J. L.

    2000-06-01

    High-resolution atomic pair distribution functions have been obtained using neutron powder diffraction data from La2-xSrxCuO4 over the range of doping 0distribution as a function of doping up to optimal doping. Thereafter the peak abruptly sharpens. The peak broadening can be well explained by a local microscopic coexistence of doped and undoped material. This suggests a crossover from a charge inhomogeneous state at and below optimal doping to a homogeneous charge state above optimal doping.

  20. High-resolution Imaging Techniques for the Assessment of Osteoporosis

    Science.gov (United States)

    Krug, Roland; Burghardt, Andrew J.; Majumdar, Sharmila; Link, Thomas M.

    2010-01-01

    Synopsis The importance of assessing the bone’s microarchitectural make-up in addition to its mineral density in the context of osteoporosis has been emphasized in a number of publications. The high spatial resolution required to resolve the bone’s microstructure in a clinically feasible scan time is challenging. Currently, the best suited modalities meeting these requirements in vivo are high-resolution peripheral quantitative imaging (HR-pQCT) and magnetic resonance imaging (MRI). Whereas HR-pQCT is limited to peripheral skeleton regions like the wrist and ankle, MRI can also image other sites like the proximal femur but usually with lower spatial resolution. In addition Multidetector-CT has been used for high-resolution imaging of trabecular bone structure, however, the radiation dose is a limiting factor. This article provides an overview of the different modalities, technical requirements and recent developments in this emerging field. Details regarding imaging protocols as well as image post-processing methods for bone structure quantification are discussed. PMID:20609895

  1. Differentiation of Staphylococcus spp. by high-resolution melting analysis.

    Science.gov (United States)

    Slany, Michal; Vanerkova, Martina; Nemcova, Eva; Zaloudikova, Barbora; Ruzicka, Filip; Freiberger, Tomas

    2010-12-01

    High-resolution melting analysis (HRMA) is a fast (post-PCR) high-throughput method to scan for sequence variations in a target gene. The aim of this study was to test the potential of HRMA to distinguish particular bacterial species of the Staphylococcus genus even when using a broad-range PCR within the 16S rRNA gene where sequence differences are minimal. Genomic DNA samples isolated from 12 reference staphylococcal strains (Staphylococcus aureus, Staphylococcus capitis, Staphylococcus caprae, Staphylococcus epidermidis, Staphylococcus haemolyticus, Staphylococcus hominis, Staphylococcus intermedius, Staphylococcus saprophyticus, Staphylococcus sciuri, Staphylococcus simulans, Staphylococcus warneri, and Staphylococcus xylosus) were subjected to a real-time PCR amplification of the 16S rRNA gene in the presence of fluorescent dye EvaGreen™, followed by HRMA. Melting profiles were used as molecular fingerprints for bacterial species differentiation. HRMA of S. saprophyticus and S. xylosus resulted in undistinguishable profiles because of their identical sequences in the analyzed 16S rRNA region. The remaining reference strains were fully differentiated either directly or via high-resolution plots obtained by heteroduplex formation between coamplified PCR products of the tested staphylococcal strain and phylogenetically unrelated strain.

  2. Providing Internet Access to High-Resolution Mars Images

    Science.gov (United States)

    Plesea, Lucian

    2008-01-01

    The OnMars server is a computer program that provides Internet access to high-resolution Mars images, maps, and elevation data, all suitable for use in geographical information system (GIS) software for generating images, maps, and computational models of Mars. The OnMars server is an implementation of the Open Geospatial Consortium (OGC) Web Map Service (WMS) server. Unlike other Mars Internet map servers that provide Martian data using an Earth coordinate system, the OnMars WMS server supports encoding of data in Mars-specific coordinate systems. The OnMars server offers access to most of the available high-resolution Martian image and elevation data, including an 8-meter-per-pixel uncontrolled mosaic of most of the Mars Global Surveyor (MGS) Mars Observer Camera Narrow Angle (MOCNA) image collection, which is not available elsewhere. This server can generate image and map files in the tagged image file format (TIFF), Joint Photographic Experts Group (JPEG), 8- or 16-bit Portable Network Graphics (PNG), or Keyhole Markup Language (KML) format. Image control is provided by use of the OGC Style Layer Descriptor (SLD) protocol. The OnMars server also implements tiled WMS protocol and super-overlay KML for high-performance client application programs.

  3. Providing Internet Access to High-Resolution Lunar Images

    Science.gov (United States)

    Plesea, Lucian

    2008-01-01

    The OnMoon server is a computer program that provides Internet access to high-resolution Lunar images, maps, and elevation data, all suitable for use in geographical information system (GIS) software for generating images, maps, and computational models of the Moon. The OnMoon server implements the Open Geospatial Consortium (OGC) Web Map Service (WMS) server protocol and supports Moon-specific extensions. Unlike other Internet map servers that provide Lunar data using an Earth coordinate system, the OnMoon server supports encoding of data in Moon-specific coordinate systems. The OnMoon server offers access to most of the available high-resolution Lunar image and elevation data. This server can generate image and map files in the tagged image file format (TIFF) or the Joint Photographic Experts Group (JPEG), 8- or 16-bit Portable Network Graphics (PNG), or Keyhole Markup Language (KML) format. Image control is provided by use of the OGC Style Layer Descriptor (SLD) protocol. Full-precision spectral arithmetic processing is also available, by use of a custom SLD extension. This server can dynamically add shaded relief based on the Lunar elevation to any image layer. This server also implements tiled WMS protocol and super-overlay KML for high-performance client application programs.

  4. High resolution multiplexed functional imaging in live embryos (Conference Presentation)

    Science.gov (United States)

    Xu, Dongli; Zhou, Weibin; Peng, Leilei

    2017-02-01

    Fourier multiplexed fluorescence lifetime imaging (FmFLIM) scanning laser optical tomography (FmFLIM-SLOT) combines FmFLIM and Scanning laser optical tomography (SLOT) to perform multiplexed 3D FLIM imaging of live embryos. The system had demonstrate multiplexed functional imaging of zebrafish embryos genetically express Foster Resonant Energy Transfer (FRET) sensors. However, previous system has a 20 micron resolution because the focused Gaussian beam diverges quickly from the focused plane, makes it difficult to achieve high resolution imaging over a long projection depth. Here, we present a high-resolution FmFLIM-SLOT system with achromatic Bessel beam, which achieves 3 micron resolution in 3D deep tissue imaging. In Bessel-FmFLIM-SLOT, multiple laser excitation lines are firstly intensity modulated by a Michelson interferometer with a spinning polygon mirror optical delay line, which enables Fourier multiplexed multi-channel lifetime measurements. Then, a spatial light modulator and a prism are used to transform the modulated Gaussian laser beam to an achromatic Bessel beam. The achromatic Bessel beam scans across the whole specimen with equal angular intervals as sample rotated. After tomography reconstruction and the frequency domain lifetime analysis method, both the 3D intensity and lifetime image of multiple excitation-emission can be obtained. Using Bessel-FmFLIM-SLOT system, we performed cellular-resolution FLIM tomography imaging of live zebrafish embryo. Genetically expressed FRET sensors in these embryo will allow non-invasive observation of multiple biochemical processes in vivo.

  5. Hyperresolution: an hyperspectral and high resolution imager for Earth observation

    Science.gov (United States)

    De Vidi, R.; Chiarantini, L.; Bini, A.

    2017-11-01

    Hyperspectral space imagery is an emerging technology that supports many scientific, civil, security and defence operational applications. The main advantage of this remote sensing technique is that it allows the so-called Feature Extraction: in fact the spectral signature allows the recognition of the materials composing the scene. Hyperspectral Products and their applications have been investigated in the past years by Galileo Avionica to direct the instrument characteristics design. Sample products have been identified in the civil / environment monitoring fields (such as coastal monitoring, vegetation, hot spot and urban classification) and in defense / security applications: their performances have been verified by means of airborne flight campaigns. The Hyperspectral and High Resolution Imager is a space-borne instrument that implement a pushbroom technique to get strip spectral images over the Hyperspectral VNIR and SWIR bands, with a ground sample distance at nadir of 20m in a 20 km wide ground swath, with 200 spectral channels, realizing an average spectral resolution of 10nm. The High Resolution Panchromatic Channel insists in the same swath to allow for multiresolution data fusion of hyperspectral imagery.

  6. Quantitative analysis of cholesteatoma using high resolution computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Kikuchi, Shigeru; Yamasoba, Tatsuya (Kameda General Hospital, Chiba (Japan)); Iinuma, Toshitaka

    1992-05-01

    Seventy-three cases of adult cholesteatoma, including 52 cases of pars flaccida type cholesteatoma and 21 of pars tensa type cholesteatoma, were examined using high resolution computed tomography, in both axial (lateral semicircular canal plane) and coronal sections (cochlear, vestibular and antral plane). These cases were classified into two subtypes according to the presence of extension of cholesteatoma into the antrum. Sixty cases of chronic otitis media with central perforation (COM) were also examined as controls. Various locations of the middle ear cavity were measured in terms of size in comparison with pars flaccida type cholesteatoma, pars tensa type cholesteatoma and COM. The width of the attic was significantly larger in both pars flaccida type and pars tensa type cholesteatoma than in COM. With pars flaccida type cholesteatoma there was a significantly larger distance between the malleus and lateral wall of the attic than with COM. In contrast, the distance between the malleus and medial wall of the attic was significantly larger with pars tensa type cholesteatoma than with COM. With cholesteatoma extending into the antrum, regardless of the type of cholesteatoma, there were significantly larger distances than with COM at the following sites: the width and height of the aditus ad antrum, and the width, height and anterior-posterior diameter of the antrum. However, these distances were not significantly different between cholesteatoma without extension into the antrum and COM. The hitherto demonstrated qualitative impressions of bone destruction in cholesteatoma were quantitatively verified in detail using high resolution computed tomography. (author).

  7. High-resolution electron microscopy of advanced materials

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, T.E.; Kung, H.H.; Sickafus, K.E.; Gray, G.T. III; Field, R.D.; Smith, J.F. [Los Alamos National Lab., NM (United States). Materials Science and Technology Div.

    1997-11-01

    This final report chronicles a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The High-Resolution Electron Microscopy Facility has doubled in size and tripled in quality since the beginning of the three-year period. The facility now includes a field-emission scanning electron microscope, a 100 kV field-emission scanning transmission electron microscope (FE-STEM), a 300 kV field-emission high-resolution transmission electron microscope (FE-HRTEM), and a 300 kV analytical transmission electron microscope. A new orientation imaging microscope is being installed. X-ray energy dispersive spectrometers for chemical analysis are available on all four microscopes; parallel electron energy loss spectrometers are operational on the FE-STEM and FE-HRTEM. These systems enable evaluation of local atomic bonding, as well as chemical composition in nanometer-scale regions. The FE-HRTEM has a point-to-point resolution of 1.6 {angstrom}, but the resolution can be pushed to its information limit of 1 {angstrom} by computer reconstruction of a focal series of images. HRTEM has been used to image the atomic structure of defects such as dislocations, grain boundaries, and interfaces in a variety of materials from superconductors and ferroelectrics to structural ceramics and intermetallics.

  8. High-Resolution Mars Camera Test Image of Moon (Infrared)

    Science.gov (United States)

    2005-01-01

    This crescent view of Earth's Moon in infrared wavelengths comes from a camera test by NASA's Mars Reconnaissance Orbiter spacecraft on its way to Mars. The mission's High Resolution Imaging Science Experiment camera took the image on Sept. 8, 2005, while at a distance of about 10 million kilometers (6 million miles) from the Moon. The dark feature on the right is Mare Crisium. From that distance, the Moon would appear as a star-like point of light to the unaided eye. The test verified the camera's focusing capability and provided an opportunity for calibration. The spacecraft's Context Camera and Optical Navigation Camera also performed as expected during the test. The Mars Reconnaissance Orbiter, launched on Aug. 12, 2005, is on course to reach Mars on March 10, 2006. After gradually adjusting the shape of its orbit for half a year, it will begin its primary science phase in November 2006. From the mission's planned science orbit about 300 kilometers (186 miles) above the surface of Mars, the high resolution camera will be able to discern features as small as one meter or yard across.

  9. MR-Venography Using High Resolution True-FISP

    Energy Technology Data Exchange (ETDEWEB)

    Spuentrup, E. [Technische Hochschule Aachen (Germany). Klinik fuer Radiologische Diagnostik; Beth Israel Deaconess Medical Center, Boston, MA (United States). Dept. of Medicine; Harvard Medical School, Boston, MA (United States); Buecker, A.; Guenther, R.W. [Technische Hochschule Aachen (Germany). Klinik fuer Radiologische Diagnostik; Stuber, M. [Beth Israel Deaconess Medical Center, Boston, MA (United States). Dept. of Medicine; Harvard Medical School, Boston, MA (United States); Philips Med. Syst., Best (Netherlands)

    2001-08-01

    A new fast MR-venography approach using a high resolution True-FISP imaging sequence was investigated in 20 patients suffering from 23 deep vein thromboses. Diagnosis was proven by X-ray venography, CT or ultrasound examination. The presented technique allowed for clear thrombus visualization with a high contrast to the surrounding blood pool even in calf veins. Acquisition time was less than 10 minutes for imaging the pelvis and the legs. No contrast media was needed. The presented high resolution True-FISP MR-veography is a promising non-invasive, fast MR-venography approach for detection of deep venous thrombosis. (orig.) [German] Eine neue schnelle, oertlich hochaufgeloeste MR-Phlebographietechnik mit einer axialen True-FISP Bildgebungssequenz wurde an 20 Patienten mit 23 nach-gewiesenen tiefen Beinvenenthrombosen untersucht. Die Befunde wurden mit einer konventionellen Roentgenphlebographie, einer CT oder einer Sonographie gesichert. Die vorgestellte Technik erlaubte in allen Faellen eine Thrombusdarstellung mit hohem Kontrast zum umgebenden venoesen Blut, wobei aufgrund der hohen Ortsaufloesung auch die Unterschenkelvenen beurteilt werden konnten. Die Datenaufnahmezeit zur Untersuchung des Beckens und der Beine betrug weniger als 10 Minuten. Kontrastmittel wurde nicht benoetigt. Die vorgestellte MR-Phlebographietechnik unter Verwendung einer oertlich hochauf-geloesten True-FISP Sequenz ist eine neue, vielversprechende, nicht-invasive Technik zur Diagnostik der tiefen Bein- und Beckenvenenthrombose. (orig.)

  10. High-resolution digital imaging with storage phosphors.

    Science.gov (United States)

    Fuhrman, C R; Gur, D; Schaetzing, R

    1990-01-01

    This article describes the current status and potential applications of high-resolution storage phosphor for imaging of the chest. Digital imaging that uses storage phosphor technology is easily adaptable to existing x-ray--generating equipment and can also be used with mobile equipment. The wide latitude of the storage phosphor technique permits satisfactory imaging in situations in which exposure factors cannot be accurately estimated or easily controlled. Early experience with an experimental Kodak high-resolution (4K x 4K) storage phosphor system suggests that standard and portal chest images of excellent quality can be obtained. Many issues must be resolved, however, before digital radiology with a storage phosphor can be advocated as being preferable to conventional film-screen systems. These issues, which include display modalities (film or television monitor), resolution requirements, and the effects of image processing, can only be resolved by further large-scale accuracy studies. The change to a digital imaging system will involve major expenditures for equipment and computers. Cost will be related largely to the level of spatial resolution required for primary radiographic diagnosis.

  11. Characterization of ceramic archaeological by high resolution X ray microtomography

    Energy Technology Data Exchange (ETDEWEB)

    Machado, Alessandra C.; Freitas, Renato; Calza, Cristiane F.; Lopes, Ricardo T.; Lima, Inaya, E-mail: alecastro@lin.ufrj.br [Coordenacao dos Programas de Pos-Graduacao de Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Lab. de Instrumentacao Nuclear; Carvalho, Daniele D.; Gaspar, Maria D. [Museu Nacional (MN/UFRJ), RJ (Brazil). Centro de Tecnologia

    2013-07-01

    Characterization of ceramic fragments is a very important area of research in art and archeometry area because it enables a greater understanding of how ancient civilizations behave and what were their traditions and customs. Petrography and chemical analyses are commonly used, but these techniques are destructive, which is not interesting for this type of sample. Through the exchange of multidisciplinary scientific knowledge and new partnerships, high resolution X-ray microtomography has been introduced in archaeological area as a great possibility of 3D inspection in a non-destructive way. The goal of this work is to investigate the internal microstructures of four samples of archeological ceramic, from the Archaeological Site of Macacu - RJ. The X-ray microtomography were performed in a high resolution setup, and can be used to infer the nature of organic temper even with all plant remains completely burnt out during the firing process and also to ensure the homogeneity of samples envisaged for geochemical analyses, especially with respect to the distribution of chemically diverse fabric compounds. In this way this study intends to contribute to our understanding of the archaeological and historical formations of this region. (author)

  12. Segmentation of Striatal Brain Structures from High Resolution PET Images

    Directory of Open Access Journals (Sweden)

    Ricardo J. P. C. Farinha

    2009-01-01

    Full Text Available We propose and evaluate an automatic segmentation method for extracting striatal brain structures (caudate, putamen, and ventral striatum from parametric C11-raclopride positron emission tomography (PET brain images. We focus on the images acquired using a novel brain dedicated high-resolution (HRRT PET scanner. The segmentation method first extracts the striatum using a deformable surface model and then divides the striatum into its substructures based on a graph partitioning algorithm. The weighted kernel k-means algorithm is used to partition the graph describing the voxel affinities within the striatum into the desired number of clusters. The method was experimentally validated with synthetic and real image data. The experiments showed that our method was able to automatically extract caudate, ventral striatum, and putamen from the images. Moreover, the putamen could be subdivided into anterior and posterior parts. An automatic method for the extraction of striatal structures from high-resolution PET images allows for inexpensive and reproducible extraction of the quantitative information from these images necessary in brain research and drug development.

  13. Probe for high resolution NMR with sample reorientation

    Science.gov (United States)

    Pines, A.; Samoson, A.

    1990-02-06

    An improved NMR probe and method are described which substantially improve the resolution of NMR measurements made on powdered or amorphous or otherwise orientationally disordered samples. The apparatus mechanically varies the orientation of the sample such that the time average of two or more sets of spherical harmonic functions are zero. 8 figs.

  14. Neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Heger, G. [Rheinisch-Westfaelische Technische Hochschule Aachen, Inst. fuer Kristallographie, Aachen (Germany)

    1996-12-31

    X-ray diffraction using conventional laboratory equipment and/or synchrotron installations is the most important method for structure analyses. The purpose of this paper is to discuss special cases, for which, in addition to this indispensable part, neutrons are required to solve structural problems. Even though the huge intensity of modern synchrotron sources allows in principle the study of magnetic X-ray scattering the investigation of magnetic structures is still one of the most important applications of neutron diffraction. (author) 15 figs., 1 tab., 10 refs.

  15. Concept of coherence aperture and pathways toward white light high-resolution correlation imaging

    Science.gov (United States)

    Bouchal, P.; Bouchal, Z.

    2013-12-01

    Self-interference correlation imaging is a recently discovered method that takes advantage of holographic reconstruction when using a spatially incoherent light. Although the temporal coherence of light significantly influences the resolution of the method, it has not been studied either theoretically or experimentally. We present the first systematic study of the resolution in a broadband correlation imaging based on the concept of coherence-induced diffraction. We show that the physical limits of the resolution are reached in a non-dispersive experiment and their examination can be performed by the coherence aperture whose width depends on the coherence length of light and the optical path difference of interfering waves. As the main result, the optimal configuration of the non-dispersive experimental system is found in which the sub-diffraction image resolution previously demonstrated for monochromatic light can be retained even when the white light is used. Dispersion effects that prevent reaching the physical resolution limits are discussed and the dispersion sensitivity of the currently available experiments examined. The proposed concept of the coherence aperture is verified experimentally and its generalization to the concept of the dispersion-induced aperture suggested. As a challenge for future research, possible methods of dispersion elimination are outlined that allow the design of advanced optical systems enabling implementation of the high-resolution white light correlation imaging.

  16. High-resolution Laue-type DuMond curved crystal spectrometer.

    Science.gov (United States)

    Szlachetko, M; Berset, M; Dousse, J-Cl; Hoszowska, J; Szlachetko, J

    2013-09-01

    We report on a high-resolution transmission-type curved crystal spectrometer based on the modified DuMond slit geometry. The spectrometer was developed at the University of Fribourg for the study of photoinduced X-ray spectra. K and L X-ray transitions with energies above about 10 keV can be measured with an instrumental resolution comparable to their natural linewidths. Construction details and operational characteristics of the spectrometer are presented. The variation of the energy resolution as a function of the focal distance and diffraction order is discussed. The high sensitivity of the spectrometer is demonstrated via the 2s-1s dipole-forbidden X-ray transition of Gd which could be observed despite its extremely low intensity. The precision of the instrument is illustrated by comparing the sum of the energies of the Au K-L2 and L2-M3 cascading transitions with the energy of the crossover K-M3 transition as well as by considering the energy differences of the Gd Kα1 X-ray line measured at five different diffraction orders. Finally, to demonstrate the versatility of the spectrometer, it is shown that the latter can also be used for in-house extended X-ray absorption fine structure measurements.

  17. High resolution orientation mapping of secondary phases in ATI 718Plus® alloy

    Directory of Open Access Journals (Sweden)

    Krakow Robert

    2014-01-01

    Full Text Available The polycrystalline superalloy ATI 718Plus ® (hereafter 718Plus has been developed to replace the established alloy Inconel 718 by offering higher temperature capability for applications in gas turbines. The alloy exhibits two secondary phases in the austenitic matrix; it is strengthened by the γ′-phase with η-phase discontinuously precipitated at the grain boundaries. It can be utilized to control grain growth during forging. Generally, hexagonal η phase has been reported to possess a defined crystallographic orientation with the matrix. However, the material studied here exhibits blocky η-phase that has been precipitated and grown during thermo-mechanical processing. Therefore a measurable change in orientation relationship is expected. The standard technique for orientation mapping is electron back-scattered diffraction with spatial resolution of 100 nm. That is insufficient for studying η-phase in 718Plus. By applying high resolution orientation mapping in the transmission electron microscope (Philips CM 300 FEGTEM equipped with a Nanomegas ASTARTM system a resolution of 3 nm was achieved. The indexed diffraction data was analysed using the Matlab Toolbox Mtex. The analysis included grain reconstruction and exclusion of low confidence measurements. The data set allows generating phase boundary maps indicating interfaces characteristics. Quantitative assessment shows that only 19% of the γ-η-interfaces fulfil the orientation relationship.

  18. Ultra-high Resolution Optics for EUV and Soft X-ray Inelastic Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Voronov, Dmitry L.; Cambie, Rossana; Ahn, Minseung; Anderson, Erik H.; Chang, Chih-Hao; Gullikson, Eric M.; Heilmann, Ralf K.; Salmassi, Farhad; Schattenburg, Mark L.; Yashchuk, Valeriy V.; Padmore, Howard A.

    2009-09-16

    We describe a revolutionary new approach to high spectral resolution soft x-ray optics. Conventionally in the soft x-ray energy range, high spectral resolution is obtained by use of a relatively low line density grating operated in 1st order with small slits. This severely limits throughput. This limitation can be removed by use of a grating either in very high order, or with very high line density, if one can maintain high diffraction efficiency. We have developed a new technology for achieving both of these goals which should allow high throughput spectroscopy, at resolving powers of up to 106 at 1 keV. Such optics should provide a revolutionary advance for high resolution lifetime free spectroscopy, such as RIXS, and for pulse compression of chirped beams. We report recent developmental fabrication and characterization of a prototype grating optimized for 14.2 nm EUV light. The prototype grating with a 200 nm period of the blazed grating substrate coated with 20 Mo/Si bilayers with a period of 7.1 nm demonstrates good dispersion in the third order (effective groove density of 15,000 lines per mm) with a diffraction efficiency of more than 33percent.

  19. High resolution infrared acquisitions droning over the LUSI mud eruption.

    Science.gov (United States)

    Di Felice, Fabio; Romeo, Giovanni; Di Stefano, Giuseppe; Mazzini, Adriano

    2016-04-01

    The use of low-cost hand-held infrared (IR) thermal cameras based on uncooled micro-bolometer detector arrays became more widespread during the recent years. Thermal cameras have the ability to estimate temperature values without contact and therefore can be used in circumstances where objects are difficult or dangerous to reach such as volcanic eruptions. Since May 2006 the Indonesian LUSI mud eruption continues to spew boiling mud, water, aqueous vapor, CO2, CH4 and covers a surface of nearly 7 km2. At this locality we performed surveys over the unreachable erupting crater. In the framework of the LUSI Lab project (ERC grant n° 308126), in 2014 and 2015, we acquired high resolution infrared images using a specifically equipped remote-controlled drone flying at an altitude of m 100. The drone is equipped with GPS and an autopilot system that allows pre-programming the flying path or designing grids. The mounted thermal camera has peak spectral sensitivity in LW wavelength (μm 10) that is characterized by low water vapor and CO2 absorption. The low distance (high resolution) acquisitions have a temperature detail every cm 40, therefore it is possible to detect and observe physical phenomena such as thermodynamic behavior, hot mud and fluids emissions locations and their time shifts. Despite the harsh logistics and the continuously varying gas concentrations we managed to collect thermal images to estimate the crater zone spatial thermal variations. We applied atmosphere corrections to calculate infrared absorption by high concentration of water vapor. Thousands of images have been stitched together to obtain a mosaic of the crater zone. Regular monitoring with heat variation measurements collected, e.g. every six months, could give important information about the volcano activity estimating its evolution. A future data base of infrared high resolution and visible images stored in a web server could be a useful monitoring tool. An interesting development will be

  20. High resolution remote sensing of water surface patterns

    Science.gov (United States)

    Woodget, A.; Visser, F.; Maddock, I.; Carbonneau, P.

    2012-12-01

    The assessment of in-stream habitat availability within fluvial environments in the UK traditionally includes the mapping of patterns which appear on the surface of the water, known as 'surface flow types' (SFTs). The UK's River Habitat Survey identifies ten key SFTs, including categories such as rippled flow, upwelling, broken standing waves and smooth flow. SFTs result from the interaction between the underlying channel morphology, water depth and velocity and reflect the local flow hydraulics. It has been shown that SFTs can be both biologically and hydraulically distinct. SFT mapping is usually conducted from the river banks where estimates of spatial coverage are made by eye. This approach is affected by user subjectivity and inaccuracies in the spatial extent of mapped units. Remote sensing and specifically the recent developments in unmanned aerial systems (UAS) may now offer an alternative approach for SFT mapping, with the capability for rapid and repeatable collection of very high resolution imagery from low altitudes, under bespoke flight conditions. This PhD research is aimed at investigating the mapping of SFTs using high resolution optical imagery (less than 10cm) collected from a helicopter-based UAS flown at low altitudes (less than 100m). This paper presents the initial findings from a series of structured experiments on the River Arrow, a small lowland river in Warwickshire, UK. These experiments investigate the potential for mapping SFTs from still and video imagery of different spatial resolutions collected at different flying altitudes and from different viewing angles (i.e. vertical and oblique). Imagery is processed using 3D mosaicking software to create orthophotos and digital elevation models (DEM). The types of image analysis which are tested include a simple, manual visual assessment undertaken in a GIS environment, based on the high resolution optical imagery. In addition, an object-based image analysis approach which makes use of the

  1. A PICTORIAL PRESENTATION OF ESOPHAGEAL HIGH RESOLUTION MANOMETRY CURRENT PARAMETERS.

    Science.gov (United States)

    Lafraia, Fernanda M; Herbella, Fernando A M; Kalluf, Julia R; Patti, Marco G

    2017-01-01

    High resolution manometry is the current technology used to the study of esophageal motility and is replacing conventional manometry in important centers for esophageal motility with parameters used on esophageal motility, following the Chicago Classification. This classification unifies high resolution manometry interpretation and classifies esophageal disorders. This review shows, in a pictorial presentation, the new parameters established by the Chicago Classification, version 3.0, aimed to allow an easy comprehension and interpretation of high resolution manometry. Esophageal manometries performed by the authors were reviewed to select illustrative tracings representing Chicago Classification parameters. The parameters are: Esophagogastric Morphology, that classifies this junction according to its physiology and anatomy; Integrated Relaxation Pressure, that measures the lower esophageal sphincter relaxation; Distal Contractile Integral, that evaluates the contraction vigor of each wave; and, Distal Latency, that measures the peristalsis velocity from the beginning of the swallow to the epiphrenic ampulla. Clinical applications of these new concepts is still under evaluation. Mostrar, de forma pictórica, os novos parâmetros compilados na versão 3.0 da Classificação de Chicago, buscando facilitar a compreensão e interpretação da manometria de alta resolução. Foram revistas as manometrias da casuística dos autores e selecionados os traçados representativos dos parâmetros da Classificação de Chicago. Entre os parâmetros apresentados foram considerados a Morfologia da Transição Gastroesofágica, que classifica o segmento de acordo com sua fisiologia e anatomia; a Integral da Pressão de Relaxamento, que mede o relaxamento do esfíncter esofagiano inferior; a Integral Contrátil Distal, que avalia o vigor contrátil da onda peristáltica; e, a Latência Distal, que mede o tempo da peristalse, desde o início da deglutição até a ampola epifr

  2. Optical Histology: High-Resolution Visualization of Tissue Microvasculature

    Science.gov (United States)

    Moy, Austin Jing-Ming

    Mammalian tissue requires the delivery of nutrients, growth factors, and the exchange of oxygen and carbon dioxide gases to maintain normal function. These elements are delivered by the blood, which travels through the connected network of blood vessels, known as the vascular system. The vascular system consists of large feeder blood vessels (arteries and veins) that are connected to the small blood vessels (arterioles and venules), which in turn are connected to the capillaries that are directly connected to the tissue and facilitate gas exchange and nutrient delivery. These small blood vessels and capillaries make up an intricate but organized network of blood vessels that exist in all mammalian tissues known as the microvasculature and are very important in maintaining the health and proper function of mammalian tissue. Due to the importance of the microvasculature in tissue survival, disruption of the microvasculature typically leads to tissue dysfunction and tissue death. The most prevalent method to study the microvasculature is visualization. Immunohistochemistry (IHC) is the gold-standard method to visualize tissue microvasculature. IHC is very well-suited for highly detailed interrogation of the tissue microvasculature at the cellular level but is unwieldy and impractical for wide-field visualization of the tissue microvasculature. The objective my dissertation research was to develop a method to enable wide-field visualization of the microvasculature, while still retaining the high-resolution afforded by optical microscopy. My efforts led to the development of a technique dubbed "optical histology" that combines chemical and optical methods to enable high-resolution visualization of the microvasculature. The development of the technique first involved preliminary studies to quantify optical property changes in optically cleared tissues, followed by development and demonstration of the methodology. Using optical histology, I successfully obtained high

  3. High resolution modelling of extreme precipitation events in urban areas

    Science.gov (United States)

    Siemerink, Martijn; Volp, Nicolette; Schuurmans, Wytze; Deckers, Dave

    2015-04-01

    The present day society needs to adjust to the effects of climate change. More extreme weather conditions are expected, which can lead to longer periods of drought, but also to more extreme precipitation events. Urban water systems are not designed for such extreme events. Most sewer systems are not able to drain the excessive storm water, causing urban flooding. This leads to high economic damage. In order to take appropriate measures against extreme urban storms, detailed knowledge about the behaviour of the urban water system above and below the streets is required. To investigate the behaviour of urban water systems during extreme precipitation events new assessment tools are necessary. These tools should provide a detailed and integral description of the flow in the full domain of overland runoff, sewer flow, surface water flow and groundwater flow. We developed a new assessment tool, called 3Di, which provides detailed insight in the urban water system. This tool is based on a new numerical methodology that can accurately deal with the interaction between overland runoff, sewer flow and surface water flow. A one-dimensional model for the sewer system and open channel flow is fully coupled to a two-dimensional depth-averaged model that simulates the overland flow. The tool uses a subgrid-based approach in order to take high resolution information of the sewer system and of the terrain into account [1, 2]. The combination of using the high resolution information and the subgrid based approach results in an accurate and efficient modelling tool. It is now possible to simulate entire urban water systems using extreme high resolution (0.5m x 0.5m) terrain data in combination with a detailed sewer and surface water network representation. The new tool has been tested in several Dutch cities, such as Rotterdam, Amsterdam and The Hague. We will present the results of an extreme precipitation event in the city of Schiedam (The Netherlands). This city deals with

  4. Do high-resolution convection-permitting experiments on Europe need to be driven by high resolution global runs?

    Science.gov (United States)

    Berthou, Segolene; Chan, Steven; Kendon, Elizabeth; Roberts, Malcolm; Lee, Robert; Vanniere, Benoit

    2017-04-01

    Challenges of getting appropriate climate-change scenarios over Europe both come from having a good representation of the synoptic systems reaching Europe and having a good-enough representation of local and orographic processes in Europe. Therefore we perform both the evaluation of the driving global model and its dynamical downscaling with a 2.2km regional model on the present day period, in the perspective of using this configuration in a future climate scenario. 20-year long atmosphere-only simulations with the Unified Model of the Met Office were run at different global resolutions (130km, 60km and 25km) and the highest resolution was chosen to give the boundaries of a European-wide convection permitting simulation with a 2.2km resolution. The synoptic situation of the different global resolutions are comparable in terms of latitudinal distribution of the jets and weather regimes but there is consistent improvement in the frequency of storms reaching Europe at 25km resolution. High resolution global runs therefore mainly show added value in the high-frequency synoptic drivers. Compared to high resolution precipitation datasets, the 25km resolution is showing good representation of winter precipitation distribution, although with too many days of moderate precipitation in Western Europe. It shows a dry bias in summer, consistent with a mean jet too north.

  5. Diffraction Techniques.

    Science.gov (United States)

    1983-08-30

    diffraction of electrons were recognized within a few included. A nubr of reviews exist on various aspects of surface years of the Davisson - Germer ...in our understanding of surface 1. C. J. Davisson and L. It. Germer , Phys. Rev. 30, 705 (1927). crystallography and in the development of experimental

  6. Quantitative high-resolution transmission electron microscopy of single atoms.

    Science.gov (United States)

    Gamm, Björn; Blank, Holger; Popescu, Radian; Schneider, Reinhard; Beyer, André; Gölzhäuser, Armin; Gerthsen, Dagmar

    2012-02-01

    Single atoms can be considered as the most basic objects for electron microscopy to test the microscope performance and basic concepts for modeling image contrast. In this work high-resolution transmission electron microscopy was applied to image single platinum, molybdenum, and titanium atoms in an aberration-corrected transmission electron microscope. The atoms are deposited on a self-assembled monolayer substrate that induces only negligible contrast. Single-atom contrast simulations were performed on the basis of Weickenmeier-Kohl and Doyle-Turner form factors. Experimental and simulated image intensities are in quantitative agreement on an absolute intensity scale, which is provided by the vacuum image intensity. This demonstrates that direct testing of basic properties such as form factors becomes feasible.

  7. High-Resolution Transmission Electron Microscopy - and Associated Techniques

    Science.gov (United States)

    Buseck, Peter; Cowley, John; Eyring, Leroy

    1989-02-01

    This book provides an introduction to the fundamental concepts, techniques, and methods used for electron microscopy at high resolution in space, energy, and even in time. It delineates the theory of elastic scattering, which is most useful for spectroscopic and chemical analyses. There are also discussions of the theory and practice of image calculations, and applications of HRTEM to the study of solid surfaces, highly disordered materials, solid state chemistry, mineralogy, semiconductors and metals. Contributors include J. Cowley, J. Spence, P. Buseck, P. Self, and M.A. O'Keefe. Compiled by experts in the fields of geology, physics and chemistry, this comprehensive text will be the standard reference for years to come.

  8. High-resolution imaging methods in array signal processing

    DEFF Research Database (Denmark)

    Xenaki, Angeliki

    The purpose of this study is to develop methods in array signal processing which achieve accurate signal reconstruction from limited observations resulting in high-resolution imaging. The focus is on underwater acoustic applications and sonar signal processing both in active (transmit and receive...... in active sonar signal processing for detection and imaging of submerged oil contamination in sea water from a deep-water oil leak. The submerged oil _eld is modeled as a uid medium exhibiting spatial perturbations in the acoustic parameters from their mean ambient values which cause weak scattering......-of-arrival (DOA) of the associated wavefronts from a limited number of observations. Usually, there are only a few sources generating the acoustic wavefield such that DOA estimation is essentially a sparse signal reconstruction problem. Conventional methods for DOA estimation (i.e., beamforming) suffer from...

  9. Sparse Representation Denoising for Radar High Resolution Range Profiling

    Directory of Open Access Journals (Sweden)

    Min Li

    2014-01-01

    Full Text Available Radar high resolution range profile has attracted considerable attention in radar automatic target recognition. In practice, radar return is usually contaminated by noise, which results in profile distortion and recognition performance degradation. To deal with this problem, in this paper, a novel denoising method based on sparse representation is proposed to remove the Gaussian white additive noise. The return is sparsely described in the Fourier redundant dictionary and the denoising problem is described as a sparse representation model. Noise level of the return, which is crucial to the denoising performance but often unknown, is estimated by performing subspace method on the sliding subsequence correlation matrix. Sliding window process enables noise level estimation using only one observation sequence, not only guaranteeing estimation efficiency but also avoiding the influence of profile time-shift sensitivity. Experimental results show that the proposed method can effectively improve the signal-to-noise ratio of the return, leading to a high-quality profile.

  10. Object-Based Building Extraction from High Resolution Satellite Imagery

    Directory of Open Access Journals (Sweden)

    R. Attarzadeh

    2012-07-01

    Full Text Available Automatic building extraction from high resolution satellite imagery is considered as an important field of research in remote sensing and machine vision. Many algorithms for extraction of buildings from satellite images have been presented so far. These algorithms mainly have considered radiometric, geometric, edge detection and shadow criteria approaches to perform the building extraction. In this paper, we propose a novel object based approach for automatic and robust detection and extraction of building in high spatial resolution images. To achieve this goal, we use stable and variable features together. Stable features are derived from inherent characteristics of building phenomenon and variable features are extracted using SEparability and THresholds analysis tool. The proposed method has been applied on a QuickBird imagery of an urban area in Isfahan city and visual validation demonstrates that the proposed method provides promising results.

  11. High-Resolution Data for a Low-Resolution World

    Energy Technology Data Exchange (ETDEWEB)

    Brady, Brendan Williams [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-10

    In the past 15 years, the upper section of Cañon de Valle has been severely altered by wildfires and subsequent runoff events. Loss of root structures on high-angle slopes results in debris flow and sediment accumulation in the narrow canyon bottom. The original intent of the study described here was to better understand the changes occurring in watershed soil elevations over the course of several post-fire years. An elevation dataset from 5 years post-Cerro Grande fire was compared to high-resolution LiDAR data from 14 years post-Cerro Grande fire (also 3 years post-Las Conchas fire). The following analysis was motivated by a problematic comparison of these datasets of unlike resolution, and therefore focuses on what the data reveals of itself. The objective of this study is to highlight the effects vegetation can have on remote sensing data that intends to read ground surface elevation.

  12. Localized corrosion information using high resolution measurement devices

    DEFF Research Database (Denmark)

    Ambat, Rajan

    2005-01-01

    High performance demand for several engineering alloys and components, and miniaturization of electronics and development of MEMS requires better understanding of local corrosion characteristics frequently down to µm scale. This is because in metallic materials corrosion is a sensitive function...... in conjunction with microstructural analysis, using advanced microscopic tools, becomes very important. Corrosion of microelectronics circuits and MEMs is also a recent problem, which demands measurement resolution down to few microns as the components are extremely small, and measurement needs to be carried out...... of the technique could be further enhanced by adding new features such as high resolution video visualization systems, fretting/tribo-corroson attachments, and also by integrating it with stress corrosion testing, corrosion investigation of concrete for a few to name with. The corrosion group in MPT, Technical...

  13. High-Resolution Characterization of UMo Alloy Microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Devaraj, Arun [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kovarik, Libor [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Joshi, Vineet V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Jana, Saumyadeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Manandhar, Sandeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Arey, Bruce W. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lavender, Curt A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-11-30

    This report highlights the capabilities and procedure for high-resolution characterization of UMo fuels in PNNL. Uranium-molybdenum (UMo) fuel processing steps, from casting to forming final fuel, directly affect the microstructure of the fuel, which in turn dictates the in-reactor performance of the fuel under irradiation. In order to understand the influence of processing on UMo microstructure, microstructure characterization techniques are necessary. Higher-resolution characterization techniques like transmission electron microscopy (TEM) and atom probe tomography (APT) are needed to interrogate the details of the microstructure. The findings from TEM and APT are also directly beneficial for developing predictive multiscale modeling tools that can predict the microstructure as a function of process parameters. This report provides background on focused-ion-beam–based TEM and APT sample preparation, TEM and APT analysis procedures, and the unique information achievable through such advanced characterization capabilities for UMo fuels, from a fuel fabrication capability viewpoint.

  14. High resolution capacitance detection circuit for rotor micro-gyroscope

    Directory of Open Access Journals (Sweden)

    Ming-Yuan Ren

    2014-03-01

    Full Text Available Conventional methods for rotor position detection of micro-gyroscopes include common exciting electrodes (single frequency and common sensing electrodes (frequency multiplex, but they have encountered some problems. So we present a high resolution and low noise pick-off circuit for micro-gyroscopes which utilizes the time multiplex method. The detecting circuit adopts a continuous-time current sensing circuit for capacitance measurement, and its noise analysis of the charge amplifier is introduced. The equivalent output noise power spectral density of phase-sensitive demodulation is 120 nV/Hz1/2. Tests revealed that the whole circuitry has a relative capacitance resolution of 1 × 10−8.

  15. Study of CME Properties Using High Resolution Data

    Science.gov (United States)

    Egorov, Ya. I.; Fainshtein, V. G.

    The joint use of high-resolution data from SDO and PROBA2 satellites and LASCO/SOHO coronographs enabled us to examine early stages of initiation and propagation of six limb CMEs registered in June 2010 - June 2011. For five events under consideration, the CME initiation is marked by filament (prominence) eruption or by a loop-like structure having another nature. Subsequently, several loop-like structures having higher brightness and following each other at different velocities appear in the region of the CME initiation. The CME frontal structure is formed by these loop-like structures. The CME kinematics and such CME characteristics as angular size and longitudinal to latitudinal size ratio was found for considered all events. We have drawn a conclusion about the possible existence of two CME types dependent on the velocity profile.

  16. High-Resolution Mammography Detector Employing Optical Switching Readout

    Science.gov (United States)

    Irisawa, Kaku; Kaneko, Yasuhisa; Yamane, Katsutoshi; Sendai, Tomonari; Hosoi, Yuichi

    Conceiving a new detector structure, FUJIFILM Corporation has successfully put its invention of an X-ray detector employing "Optical Switching" into practical use. Since Optical Switching Technology allows an electrode structure to be easily designed, both high resolution of pixel pitch and low electrical noise readout have been achieved, which have consequently realized the world's smallest pixel size of 50×50 μm2 from a Direct-conversion FPD system as well as high DQE. The digital mammography system equipped with this detector enables to acquire high definition images while maintaining granularity. Its outstanding feature is to be able to acquire high-precision images of microcalcifications which is an important index in breast examination.

  17. DMD based digital speckle illumination for high resolution imaging

    Science.gov (United States)

    Shinde, Anant; Mishra, Ayush; Perinchery, Sandeep M.; Murukeshan, V. M.

    2017-06-01

    Spatially non-uniform illumination patterns have shown significant potential to improve the imaging. Recent developments in the patterned illumination microscopy have demonstrated that the use of an optical speckle as an illumination pattern significantly improves the imaging resolution at the same time reducing the computational overheads. We present a DMD based method for generation of digital speckle pattern. The generated digital speckle and uniform white light illumination are used as two illuminations to acquire images. The image reconstruction algorithm for blind structured illumination microscopy is used to get the high resolution image. Our approach does not require any calibration step or stringent control of the illumination, and dramatically simplifies the experimental set-up.

  18. High-resolution, single-molecule measurements of biomolecular motion.

    Science.gov (United States)

    Greenleaf, William J; Woodside, Michael T; Block, Steven M

    2007-01-01

    Many biologically important macromolecules undergo motions that are essential to their function. Biophysical techniques can now resolve the motions of single molecules down to the nanometer scale or even below, providing new insights into the mechanisms that drive molecular movements. This review outlines the principal approaches that have been used for high-resolution measurements of single-molecule motion, including centroid tracking, fluorescence resonance energy transfer, magnetic tweezers, atomic force microscopy, and optical traps. For each technique, the principles of operation are outlined, the capabilities and typical applications are examined, and various practical issues for implementation are considered. Extensions to these methods are also discussed, with an eye toward future application to outstanding biological problems.

  19. Compact and mobile high resolution PET brain imager

    Science.gov (United States)

    Majewski, Stanislaw [Yorktown, VA; Proffitt, James [Newport News, VA

    2011-02-08

    A brain imager includes a compact ring-like static PET imager mounted in a helmet-like structure. When attached to a patient's head, the helmet-like brain imager maintains the relative head-to-imager geometry fixed through the whole imaging procedure. The brain imaging helmet contains radiation sensors and minimal front-end electronics. A flexible mechanical suspension/harness system supports the weight of the helmet thereby allowing for patient to have limited movements of the head during imaging scans. The compact ring-like PET imager enables very high resolution imaging of neurological brain functions, cancer, and effects of trauma using a rather simple mobile scanner with limited space needs for use and storage.

  20. Achieving High Resolution Timer Events in Virtualized Environment.

    Directory of Open Access Journals (Sweden)

    Blazej Adamczyk

    Full Text Available Virtual Machine Monitors (VMM have become popular in different application areas. Some applications may require to generate the timer events with high resolution and precision. This however may be challenging due to the complexity of VMMs. In this paper we focus on the timer functionality provided by five different VMMs-Xen, KVM, Qemu, VirtualBox and VMWare. Firstly, we evaluate resolutions and precisions of their timer events. Apparently, provided resolutions and precisions are far too low for some applications (e.g. networking applications with the quality of service. Then, using Xen virtualization we demonstrate the improved timer design that greatly enhances both the resolution and precision of achieved timer events.

  1. High resolution imaging of tunnels by magnetic resonance neurography

    Energy Technology Data Exchange (ETDEWEB)

    Subhawong, Ty K.; Thawait, Shrey K.; Machado, Antonio J.; Carrino, John A.; Chhabra, Avneesh [Johns Hopkins Hospital, The Russell H. Morgan Department of Radiology and Radiological Science, Baltimore, MD (United States); Wang, Kenneth C. [Baltimore VA Medical Center, Department of Radiology, Baltimore, MD (United States); Williams, Eric H. [Dellon Institute for Peripheral Nerve Surgery, Towson, MD (United States); Hashemi, Shahreyar Shar [Johns Hopkins Hospital, Division of Plastic and Reconstructive Surgery, Baltimore, MD (United States)

    2012-01-15

    Peripheral nerves often traverse confined fibro-osseous and fibro-muscular tunnels in the extremities, where they are particularly vulnerable to entrapment and compressive neuropathy. This gives rise to various tunnel syndromes, characterized by distinct patterns of muscular weakness and sensory deficits. This article focuses on several upper and lower extremity tunnels, in which direct visualization of the normal and abnormal nerve in question is possible with high resolution 3T MR neurography (MRN). MRN can also serve as a useful adjunct to clinical and electrophysiologic exams by discriminating adhesive lesions (perineural scar) from compressive lesions (such as tumor, ganglion, hypertrophic callous, or anomalous muscles) responsible for symptoms, thereby guiding appropriate treatment. (orig.)

  2. High Resolution Software Defined Radar System for Target Detection

    Directory of Open Access Journals (Sweden)

    S. Costanzo

    2013-01-01

    Full Text Available The Universal Software Radio Peripheral USRP NI2920, a software defined transceiver so far mainly used in Software Defined Radio applications, is adopted in this work to design a high resolution L-Band Software Defined Radar system. The enhanced available bandwidth, due to the Gigabit Ethernet interface, is exploited to obtain a higher slant-range resolution with respect to the existing Software Defined Radar implementations. A specific LabVIEW application, performing radar operations, is discussed, and successful validations are presented to demonstrate the accurate target detection capability of the proposed software radar architecture. In particular, outdoor and indoor test are performed by adopting a metal plate as reference structure located at different distances from the designed radar system, and results obtained from the measured echo are successfully processed to accurately reveal the correct target position, with the predicted slant-range resolution equal to 6 m.

  3. High-resolution 3-T MR neurography of peroneal neuropathy

    Energy Technology Data Exchange (ETDEWEB)

    Chhabra, Avneesh; Faridian-Aragh, Neda; Chalian, Majid; Soldatos, Theodoros; Thawait, Shrey K. [Johns Hopkins Hospital, The Russell H. Morgan Department of Radiology and Radiological Science, Baltimore, MD (United States); Williams, Eric H. [Johns Hopkins Hospital, Department of Plastic Surgery, Baltimore, MD (United States); Dellon Institute for Peripheral Nerve Surgery, Baltimore, MD (United States); Andreisek, Gustav [University Hospital Zurich, Institute for Diagnostic Radiology, Department of Medical Radiology, Zurich (Switzerland)

    2012-03-15

    The common peroneal nerve (CPN), a major terminal branch of the sciatic nerve, can be subject to a variety of pathologies, which may affect the nerve at any level from the lumbar plexus to its distal branches. Although the diagnosis of peripheral neuropathy is traditionally based on a patient's clinical findings and electrodiagnostic tests, magnetic resonance neurography (MRN) is gaining an increasing role in the definition of the type, site, and extent of peripheral nerve disorders. Current high-field MR scanners enable high-resolution and excellent soft-tissue contrast imaging of peripheral nerves. In the lower extremities, MR neurography has been employed in the demonstration of the anatomy and pathology of the CPN, as well as in the detection of associated secondary muscle denervation changes. This article reviews the normal appearance of the CPN as well as typical pathologies and abnormal findings at 3.0-T MR neurography of the lower extremity. (orig.)

  4. High-resolution mapping of bifurcations in nonlinear biochemical circuits

    Science.gov (United States)

    Genot, A. J.; Baccouche, A.; Sieskind, R.; Aubert-Kato, N.; Bredeche, N.; Bartolo, J. F.; Taly, V.; Fujii, T.; Rondelez, Y.

    2016-08-01

    Analog molecular circuits can exploit the nonlinear nature of biochemical reaction networks to compute low-precision outputs with fewer resources than digital circuits. This analog computation is similar to that employed by gene-regulation networks. Although digital systems have a tractable link between structure and function, the nonlinear and continuous nature of analog circuits yields an intricate functional landscape, which makes their design counter-intuitive, their characterization laborious and their analysis delicate. Here, using droplet-based microfluidics, we map with high resolution and dimensionality the bifurcation diagrams of two synthetic, out-of-equilibrium and nonlinear programs: a bistable DNA switch and a predator-prey DNA oscillator. The diagrams delineate where function is optimal, dynamics bifurcates and models fail. Inverse problem solving on these large-scale data sets indicates interference from enzymatic coupling. Additionally, data mining exposes the presence of rare, stochastically bursting oscillators near deterministic bifurcations.

  5. High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation

    DEFF Research Database (Denmark)

    Dimzon, Ian Ken; Trier, Xenia; Frömel, Tobias

    2016-01-01

    High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid...... per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of number......-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health. Graphical Abstract ᅟ....

  6. Measuring large-scale social networks with high resolution.

    Science.gov (United States)

    Stopczynski, Arkadiusz; Sekara, Vedran; Sapiezynski, Piotr; Cuttone, Andrea; Madsen, Mette My; Larsen, Jakob Eg; Lehmann, Sune

    2014-01-01

    This paper describes the deployment of a large-scale study designed to measure human interactions across a variety of communication channels, with high temporal resolution and spanning multiple years-the Copenhagen Networks Study. Specifically, we collect data on face-to-face interactions, telecommunication, social networks, location, and background information (personality, demographics, health, politics) for a densely connected population of 1000 individuals, using state-of-the-art smartphones as social sensors. Here we provide an overview of the related work and describe the motivation and research agenda driving the study. Additionally, the paper details the data-types measured, and the technical infrastructure in terms of both backend and phone software, as well as an outline of the deployment procedures. We document the participant privacy procedures and their underlying principles. The paper is concluded with early results from data analysis, illustrating the importance of multi-channel high-resolution approach to data collection.

  7. Measuring large-scale social networks with high resolution.

    Directory of Open Access Journals (Sweden)

    Arkadiusz Stopczynski

    Full Text Available This paper describes the deployment of a large-scale study designed to measure human interactions across a variety of communication channels, with high temporal resolution and spanning multiple years-the Copenhagen Networks Study. Specifically, we collect data on face-to-face interactions, telecommunication, social networks, location, and background information (personality, demographics, health, politics for a densely connected population of 1000 individuals, using state-of-the-art smartphones as social sensors. Here we provide an overview of the related work and describe the motivation and research agenda driving the study. Additionally, the paper details the data-types measured, and the technical infrastructure in terms of both backend and phone software, as well as an outline of the deployment procedures. We document the participant privacy procedures and their underlying principles. The paper is concluded with early results from data analysis, illustrating the importance of multi-channel high-resolution approach to data collection.

  8. High resolution wind turbine wake measurements with a scanning lidar

    Science.gov (United States)

    Herges, T. G.; Maniaci, D. C.; Naughton, B. T.; Mikkelsen, T.; Sjöholm, M.

    2017-05-01

    High-resolution lidar wake measurements are part of an ongoing field campaign being conducted at the Scaled Wind Farm Technology facility by Sandia National Laboratories and the National Renewable Energy Laboratory using a customized scanning lidar from the Technical University of Denmark. One of the primary objectives is to collect experimental data to improve the predictive capability of wind plant computational models to represent the response of the turbine wake to varying inflow conditions and turbine operating states. The present work summarizes the experimental setup and illustrates several wake measurement example cases. The cases focus on demonstrating the impact of the atmospheric conditions on the wake shape and position, and exhibit a sample of the data that has been made public through the Department of Energy Atmosphere to Electrons Data Archive and Portal.

  9. Controllable printing droplets for high-resolution patterns.

    Science.gov (United States)

    Kuang, Minxuan; Wang, Libin; Song, Yanlin

    2014-10-29

    Inkjet printing has attracted wide attention due to the important applications in fabricating biological, optical, and electrical devices. During the inkjet printing process, the solutes prefer to deposit along the droplet periphery and form an inhomogeneous morphology, known as the coffee-ring effect. Besides, the feature size of printed dots or lines of conventional inkjet printing is usually limited to tens or even hundreds of micrometers. The above two issues greatly restrict the extensive application of printed patterns in high-performance devices. This paper reviews the recent advances in precisely controlling the printing droplets for high-resolution patterns and three-dimensional structures, with a focus on the development to suppress the coffee-ring effect and minimize the feature size of printed dots or lines. A perspective on the remaining challenges of the research is also proposed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. High-resolution eye tracking using V1 neuron activity

    Science.gov (United States)

    McFarland, James M.; Bondy, Adrian G.; Cumming, Bruce G.; Butts, Daniel A.

    2014-01-01

    Studies of high-acuity visual cortical processing have been limited by the inability to track eye position with sufficient accuracy to precisely reconstruct the visual stimulus on the retina. As a result, studies on primary visual cortex (V1) have been performed almost entirely on neurons outside the high-resolution central portion of the visual field (the fovea). Here we describe a procedure for inferring eye position using multi-electrode array recordings from V1 coupled with nonlinear stimulus processing models. We show that this method can be used to infer eye position with one arc-minute accuracy – significantly better than conventional techniques. This allows for analysis of foveal stimulus processing, and provides a means to correct for eye-movement induced biases present even outside the fovea. This method could thus reveal critical insights into the role of eye movements in cortical coding, as well as their contribution to measures of cortical variability. PMID:25197783

  11. THE HIGH-RESOLUTION INFRARED SPECTRUM OF HCl{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Doménech, J. L.; Herrero, V. J.; Tanarro, I. [Molecular Physics Department, Instituto de Estructura de la Materia (IEM-CSIC), Serrano 123, E-28006 Madrid (Spain); Drouin, B. J. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109-8099 (United States); Cernicharo, J., E-mail: jl.domenech@csic.es [Molecular Astrophysics Group, Instituto de Ciencia de Materiales de Madrid (ICMM-CSIC), Sor Juana Inés de la Cruz 3, Cantoblanco, E-28049 Madrid (Spain)

    2016-12-20

    The chloroniumyl cation, HCl{sup +}, has been recently identified in space from Herschel 's spectra. A joint analysis of extensive vis-UV spectroscopy emission data together with a few high-resolution and high-accuracy millimeter-wave data provided the necessary rest frequencies to support the astronomical identification. Nevertheless, the analysis did not include any infrared (IR) vibration–rotation data. Furthermore, with the end of the Herschel mission, IR observations from the ground may be one of the few available means to further study this ion in space. In this work, we provide a set of accurate rovibrational transition wavenumbers, as well as a new and improved global fit of vis-UV, IR, and millimeter-wave spectroscopy laboratory data, that will aid in future studies of this molecule.

  12. High resolution ultrasound and photoacoustic imaging of single cells

    Directory of Open Access Journals (Sweden)

    Eric M. Strohm

    2016-03-01

    Full Text Available High resolution ultrasound and photoacoustic images of stained neutrophils, lymphocytes and monocytes from a blood smear were acquired using a combined acoustic/photoacoustic microscope. Photoacoustic images were created using a pulsed 532 nm laser that was coupled to a single mode fiber to produce output wavelengths from 532 nm to 620 nm via stimulated Raman scattering. The excitation wavelength was selected using optical filters and focused onto the sample using a 20× objective. A 1000 MHz transducer was co-aligned with the laser spot and used for ultrasound and photoacoustic images, enabling micrometer resolution with both modalities. The different cell types could be easily identified due to variations in contrast within the acoustic and photoacoustic images. This technique provides a new way of probing leukocyte structure with potential applications towards detecting cellular abnormalities and diseased cells at the single cell level.

  13. Realization of matching conditions for high-resolution spectrometers

    CERN Document Server

    Fujita, H; Berg, G P A; Bacher, A D; Foster, C C; Hara, K; Hatanaka, K; Kawabata, T; Noro, T; Sakaguchi, H; Shimbara, Y; Shinada, T; Stephenson, E J; Ueno, H; Yosoi, M

    2002-01-01

    For precise measurements of nuclear-reaction spectra using a beam from an accelerator, a high-resolution magnetic spectrometer is a powerful tool. The full capability of a magnetic spectrometer, however, can be achieved only if the characteristics of the beam coming from the accelerator are matched to those required by the spectrometer by properly adjusting the beam line conditions. The matching methods, lateral dispersion matching, focus matching and also the kinematic correction compensate the spectrum line-broadening effects caused by the beam momentum spread and reaction kinematics. In addition, angular dispersion matching should be performed if good resolution of the scattering angle is important. Diagnostic methods developed to realize these matching conditions for the spectrometers K600 at IUCF and Grand Raiden at RCNP are presented.

  14. Gravity Currents with Convective Mixing: High-resolution Numerical Simulations

    Science.gov (United States)

    Voskov, D.; Elenius, M. T.; Tchelepi, H.

    2014-12-01

    Due to challenges in performing direct numerical simulations for gravity currents with convective mixing, different attempts have been made to simplify the problem. In this work, the full problem is investigated with direct numerical simulations. Our simulations employ a recently developed capability in our General Purpose Research Simulator (AD-GPRS). The compositional approach is based on K-values and a linear density model. A shared-memory parallel implementation allows for high resolution simulations in a reasonable time frame. Our results indicate that it is important to consider the reduction in the dissolution rate after the fingers begin to interact with the bottom of the aquifer. Another important observation suggests considering a reduction in the dissolution rate where the plume thickness increases in time. In addition to the large-scale simulations, we performed convective-mixing simulations in relatively small domains to support the analysis of large-scale plume migration and CO2 trapping.

  15. High-resolution ZTE imaging of human teeth.

    Science.gov (United States)

    Weiger, Markus; Pruessmann, Klaas P; Bracher, Anna-Katinka; Köhler, Sascha; Lehmann, Volker; Wolfram, Uwe; Hennel, Franciszek; Rasche, Volker

    2012-10-01

    MRI with zero echo time (ZTE) is achieved by 3D radial centre-out encoding and hard-pulse RF excitation while the projection gradient is already on. Targeting short-T(2) samples, the efficient, robust and silent ZTE approach was implemented for high-bandwidth high-resolution imaging requiring particularly rapid transmit-receive switching and algebraic image reconstruction. The ZTE technique was applied to image extracted human teeth at 11.7T field strength, yielding detailed depictions with very good delineation of the mineralised dentine and enamel layers. ZTE results are compared with UTE (ultra-short echo time) MRI and micro-computed tomography (μCT), revealing significant differences in SNR and CNR yields. Compared to μCT, ZTE MRI appears to be less susceptible to artefacts caused by dental fillings and to offer superior sensitivity for the detection of early demineralisation and caries lesions. Copyright © 2012 John Wiley & Sons, Ltd.

  16. High resolution X-ray CT for advanced electronics packaging

    Science.gov (United States)

    Oppermann, M.; Zerna, T.

    2017-02-01

    Advanced electronics packaging is a challenge for non-destructive Testing (NDT). More, smaller and mostly hidden interconnects dominate modern electronics components and systems. To solve the demands of customers to get products with a high functionality by low volume, weight and price (e.g. mobile phones, personal medical monitoring systems) often the designers use System-in-Package solutions (SiP). The non-destructive testing of such devices is a big challenge. So our paper will impart fundamentals and applications for non-destructive evaluation of inner structures of electronics packaging for quality assurance and reliability investigations with a focus on X-ray methods, especially on high resolution X-ray computed tomography (CT).

  17. Multilayer Patterning of High Resolution Intrinsically Stretchable Electronics

    Science.gov (United States)

    Tybrandt, Klas; Stauffer, Flurin; Vörös, Janos

    2016-05-01

    Stretchable electronics can bridge the gap between hard planar electronic circuits and the curved, soft and elastic objects of nature. This has led to applications like conformal displays, electronic skin and soft neuroprosthetics. A remaining challenge, however, is to match the dimensions of the interfaced systems, as all require feature sizes well below 100 μm. Intrinsically stretchable nanocomposites are attractive in this context as the mechanical deformations occur on the nanoscale, although methods for patterning high performance materials have been lacking. Here we address these issues by reporting on a multilayer additive patterning approach for high resolution fabrication of stretchable electronic devices. The method yields highly conductive 30 μm tracks with similar performance to their macroscopic counterparts. Further, we demonstrate a three layer micropatterned stretchable electroluminescent display with pixel sizes down to 70 μm. These presented findings pave the way towards future developments of high definition displays, electronic skins and dense multielectrode arrays.

  18. Comparative Assessment of Very High Resolution Satellite and Aerial Orthoimagery

    Science.gov (United States)

    Agrafiotis, P.; Georgopoulos, A.

    2015-03-01

    This paper aims to assess the accuracy and radiometric quality of orthorectified high resolution satellite imagery from Pleiades-1B satellites through a comparative evaluation of their quantitative and qualitative properties. A Pleiades-B1 stereopair of high resolution images taken in 2013, two adjacent GeoEye-1 stereopairs from 2011 and aerial orthomosaic (LSO) provided by NCMA S.A (Hellenic Cadastre) from 2007 have been used for the comparison tests. As control dataset orthomosaic from aerial imagery provided also by NCMA S.A (0.25m GSD) from 2012 was selected. The process for DSM and orthoimage production was performed using commercial digital photogrammetric workstations. The two resulting orthoimages and the aerial orthomosaic (LSO) were relatively and absolutely evaluated for their quantitative and qualitative properties. Test measurements were performed using the same check points in order to establish their accuracy both as far as the single point coordinates as well as their distances are concerned. Check points were distributed according to JRC Guidelines for Best Practice and Quality Checking of Ortho Imagery and NSSDA standards while areas with different terrain relief and land cover were also included. The tests performed were based also on JRC and NSSDA accuracy standards. Finally, tests were carried out in order to assess the radiometric quality of the orthoimagery. The results are presented with a statistical analysis and they are evaluated in order to present the merits and demerits of the imaging sensors involved for orthoimage production. The results also serve for a critical approach for the usability and cost efficiency of satellite imagery for the production of Large Scale Orthophotos.

  19. Evaluation of a High-Resolution Regional Reanalysis for Europe

    Science.gov (United States)

    Ohlwein, C.; Wahl, S.; Keller, J. D.; Bollmeyer, C.

    2014-12-01

    Reanalyses gain more and more importance as a source of meteorological information for many purposes and applications. Several global reanalyses projects (e.g., ERA, MERRA, CSFR, JMA9) produce and verify these data sets to provide time series as long as possible combined with a high data quality. Due to a spatial resolution down to 50-70km and 3-hourly temporal output, they are not suitable for small scale problems (e.g., regional climate assessment, meso-scale NWP verification, input for subsequent models such as river runoff simulations). The implementation of regional reanalyses based on a limited area model along with a data assimilation scheme is able to generate reanalysis data sets with high spatio-temporal resolution. Within the Hans-Ertel-Centre for Weather Research (HErZ), the climate monitoring branch concentrates efforts on the assessment and analysis of regional climate in Germany and Europe. In joint cooperation with DWD (German Meteorological Service), a high-resolution reanalysis system based on the COSMO model has been developed. The regional reanalysis for Europe matches the domain of the CORDEX EURO-11 specifications, albeit at a higher spatial resolution, i.e., 0.055° (6km) instead of 0.11° (12km) and comprises the assimilation of observational data using the existing nudging scheme of COSMO complemented by a special soil moisture analysis with boundary conditions provided by ERA-Interim data. The reanalysis data set covers 6 years (2007-2012) and is currently extended to 16 years. Extensive evaluation of the reanalysis is performed using independent observations with special emphasis on precipitation and high-impact weather situations indicating a better representation of small scale variability. Further, the evaluation shows an added value of the regional reanalysis with respect to the forcing ERA Interim reanalysis and compared to a pure high-resolution dynamical downscaling approach without data assimilation.

  20. The high-resolution regional reanalysis COSMO-REA6

    Science.gov (United States)

    Ohlwein, C.

    2016-12-01

    Reanalyses gain more and more importance as a source of meteorological information for many purposes and applications. Several global reanalyses projects (e.g., ERA, MERRA, CSFR, JMA9) produce and verify these data sets to provide time series as long as possible combined with a high data quality. Due to a spatial resolution down to 50-70km and 3-hourly temporal output, they are not suitable for small scale problems (e.g., regional climate assessment, meso-scale NWP verification, input for subsequent models such as river runoff simulations). The implementation of regional reanalyses based on a limited area model along with a data assimilation scheme is able to generate reanalysis data sets with high spatio-temporal resolution. Within the Hans-Ertel-Centre for Weather Research (HErZ), the climate monitoring branch concentrates efforts on the assessment and analysis of regional climate in Germany and Europe. In joint cooperation with DWD (German Meteorological Service), a high-resolution reanalysis system based on the COSMO model has been developed. The regional reanalysis for Europe matches the domain of the CORDEX EURO-11 specifications, albeit at a higher spatial resolution, i.e., 0.055° (6km) instead of 0.11° (12km) and comprises the assimilation of observational data using the existing nudging scheme of COSMO complemented by a special soil moisture analysis with boundary conditions provided by ERA-Interim data. The reanalysis data set covers the past 20 years. Extensive evaluation of the reanalysis is performed using independent observations with special emphasis on precipitation and high-impact weather situations indicating a better representation of small scale variability. Further, the evaluation shows an added value of the regional reanalysis with respect to the forcing ERA Interim reanalysis and compared to a pure high-resolution dynamical downscaling approach without data assimilation.