WorldWideScience

Sample records for high-resolution neutron diffraction

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.)

  7. 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.

  8. High-resolution neutron tomography

    Energy Technology Data Exchange (ETDEWEB)

    Mikerov, V.I. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Zhitnik, I.A. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Ignat`ev, A.P. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Isakov, A.I. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Korneev, V.V. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Krutov, V.V. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Kuzin, S.V. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Oparin, S.N. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Pertsov, A.A. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Podolyak, E.R. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Sobel`man, I.I. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Tindo, I.P. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation); Tukarev, B.A. [P.N. Lebedev Physical Inst., RAN, Moscow (Russian Federation)

    1995-12-31

    A neutron tomography technique with a coordinate resolution of several tens of micrometers has been developed. Our results indicate that the technique resolves details with dimensions less than 100 {mu}m and measures a linear attenuation of less than {approx} 0.1 cm{sup -1}. Tomograms can be reconstructed using incomplete data. Limits on the resolution of the restored pattern are analyzed, and ways to improve the sensitivity of the technique are discussed. (orig.).

  9. 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.

  10. 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.

  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. 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.

  13. 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.

  14. 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 ...

  15. 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...

  16. 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 ...

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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....

  2. 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.

  3. 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....

  4. 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

  5. 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.

  6. 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 ...

  7. 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.

  8. 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.

  9. Oxides neutron and synchrotron X-ray diffraction studies

    CERN Document Server

    Sosnowska, I M

    1999-01-01

    We review some results from several areas of oxide science in which neutron scattering and X-ray synchrotron scattering exercise a complementary role to high-resolution transmission electron microscopy. The very high-resolution time-of-flight neutron diffraction technique and its role in studies of the magnetic structure of oxides is especially reviewed. The selected topics of structural studies for the chosen oxides are: crystal and magnetic structure of the so-called cellular random systems, magnetic structure and phase transitions in ferrites and the behaviour of water in non-stoichiometric protonic conductors and in the opal silica-water system. (40 refs).

  10. 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.

  11. 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.

  12. A high resolution, low background fast neutron spectrometer

    CERN Document Server

    Abdurashitov, J N; Kalikhov, A V; Matushko, V L; Shikhin, A A; Yants, V E; Zaborskaia, O S; Adams, J M; Nico, J S; Thompson, A K

    2002-01-01

    We discuss the possibility to create a spectrometer of full absorption based on liquid scintillator doped with enriched sup 6 Li. Of specific interest, the spectrometer will have energy resolution estimated to lie in the range 5-10% for 14 MeV neutrons. It will be sensitive to fluxes from 10 sup - sup 4 to 10 sup 6 cm sup - sup 2 s sup - sup 1 above a threshold of 1 MeV in a gamma-background of up to 10 sup 4 s sup - sup 1. The detector's efficiency will be determined by the volume of the scintillator only (approx 3 l) and is estimated to be 0.2-10%. The main reason for the poor resolution of an organic scintillator based spectrometer of full absorption is a non-linear light-yield of the scintillator for recoil protons. The neutron energy is occasionally distributed among recoil protons, and due to non-linear light-yield the total amount of light from all recoil protons ambiguously determines the initial neutron energy. The high-energy resolution will be achieved by compensation of the non-linear light-yield ...

  13. 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

  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. High-resolution neutron spectroscopy on protein solution samples

    Directory of Open Access Journals (Sweden)

    Grimaldo Marco

    2015-01-01

    Full Text Available Proteins in solution move subject to a complex superposition of global translational and rotational diffusion as well as internal relaxations covering a wide range of time scales. With the advent of new high-flux neutron spectrometers in combination with enhanced analysis frameworks it has become possible to separate these different contributions. We discuss new approaches to the analysis by presenting example spectra and fits from data recorded on the backscattering spectrometers IN16, IN16B, and BASIS on the same protein solution sample. We illustrate the separation of the rotational and translational diffusion contribution, the accurate treatment of the solvent contribution, and the extraction of information on internal fluctuations. We also exemplify the progress made in passing from second- to third-generation backscattering spectrometers.

  16. High-resolution neutron imaging of laser imploded DT targets

    Energy Technology Data Exchange (ETDEWEB)

    Disdier, L. E-mail: laurent.disdier@cea.fr; Rouyer, A.; Wilson, D.C.; Fedotoff, A.; Stoeckl, C.; Bourgade, J.-L.; Glebov, V.Yu.; Garconnet, J.-P.; Seka, W

    2002-08-21

    Using a penumbral technique with a biconical aperture we have obtained neutron images with the highest spatial resolution ever achieved. Implosions at the Omega laser of deuterium-tritium-filled glass microballoons with 2.5 and 4.2 {mu}m thick walls produced images with full-width at half-maximums of 78 and 62 {mu}m recorded with a resolution of 60 and 45 {mu}m, respectively. Image sizes are in good agreement with calculations when the effects of noise are included. Higher geometrical spatial resolution and a new deconvolution technique improve the previous measurements of Ress et al. (Science 241 (1988) 956) obtained with a 80 {mu}m resolution.

  17. High-resolution neutron imaging of laser imploded DT targets

    CERN Document Server

    Disdier, L; Wilson, D C; Fedotoff, A; Stoeckl, C; Bourgade, J L; Glebov, V Yu; Garconnet, J P; Seka, W

    2002-01-01

    Using a penumbral technique with a biconical aperture we have obtained neutron images with the highest spatial resolution ever achieved. Implosions at the Omega laser of deuterium-tritium-filled glass microballoons with 2.5 and 4.2 mu m thick walls produced images with full-width at half-maximums of 78 and 62 mu m recorded with a resolution of 60 and 45 mu m, respectively. Image sizes are in good agreement with calculations when the effects of noise are included. Higher geometrical spatial resolution and a new deconvolution technique improve the previous measurements of Ress et al. (Science 241 (1988) 956) obtained with a 80 mu m resolution.

  18. 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.

  19. A high-resolution neutron spectra unfolding method using the Genetic Algorithm technique

    CERN Document Server

    Mukherjee, B

    2002-01-01

    The Bonner sphere spectrometers (BSS) are commonly used to determine the neutron spectra within various nuclear facilities. Sophisticated mathematical tools are used to unfold the neutron energy distribution from the output data of the BSS. This paper highlights a novel high-resolution neutron spectra-unfolding method using the Genetic Algorithm (GA) technique. The GA imitates the biological evolution process prevailing in the nature to solve complex optimisation problems. The GA method was utilised to evaluate the neutron energy distribution, average energy, fluence and equivalent dose rates at important work places of a DIDO class research reactor and a high-energy superconducting heavy ion cyclotron. The spectrometer was calibrated with a sup 2 sup 4 sup 1 Am/Be (alpha,n) neutron standard source. The results of the GA method agreed satisfactorily with the results obtained by using the well-known BUNKI neutron spectra unfolding code.

  20. Flexible sample environment for high resolution neutron imaging at high temperatures in controlled atmosphere

    DEFF Research Database (Denmark)

    Makowska, Malgorzata G.; Kuhn, Luise Theil; Cleemann, Lars Nilausen

    2015-01-01

    with any other technique. This paper presents a new sample environment for in situ high resolution neutron imaging experiments at temperatures from room temperature up to 1100 ◦C and/or using controllable flow of reactive atmospheres. The design also offers the possibility to directly combine imaging......High material penetration by neutrons allows for experiments using sophisticated sample environments providing complex conditions. Thus, neutron imaging holds potential for performing in situ nondestructive measurements on large samples or even full technological systems, which are not possible...

  1. 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.

  2. 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.

  3. 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.

  4. Radiological Shielding Design for the Neutron High-Resolution Backscattering Spectrometer EMU at the OPAL Reactor

    Science.gov (United States)

    Ersez, Tunay; Esposto, Fernando; Souza, Nicolas R. de

    2017-09-01

    The shielding for the neutron high-resolution backscattering spectrometer (EMU) located at the OPAL reactor (ANSTO) was designed using the Monte Carlo code MCNP 5-1.60. The proposed shielding design has produced compact shielding assemblies, such as the neutron pre-monochromator bunker with sliding cylindrical block shields to accommodate a range of neutron take-off angles, and in the experimental area - shielding of neutron focusing guides, choppers, flight tube, backscattering monochromator, and additional shielding elements inside the Scattering Tank. These shielding assemblies meet safety and engineering requirements and cost constraints. The neutron dose rates around the EMU instrument were reduced to < 0.5 µSv/h and the gamma dose rates to a safe working level of ≤ 3 µSv/h.

  5. 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.

  6. Neutron diffraction from superparamagnetic colloidal crystals

    Science.gov (United States)

    Ličen, M.; Drevenšek-Olenik, I.; Čoga, L.; Gyergyek, S.; Kralj, S.; Fally, M.; Pruner, C.; Geltenbort, P.; Gasser, U.; Nagy, G.; Klepp, J.

    2017-11-01

    We fabricated a superparamagnetic ordered structure via self-assembly of a colloidal crystal from a suspension of maghemite nanoparticles and polystyrene beads. Such crystals are potential candidates for novel polarizing beam-splitters for cold neutrons, complementing the available methods of neutron polarization. Different bead sizes and nanoparticle concentrations were tested to obtain a crystal of reasonable quality. Neutron diffraction experiments in the presence of an external magnetic field were performed on the most promising sample. We demonstrate that the diffraction efficiency of such crystals can be controlled by the magnetic field. Our measurements also indicate that the Bragg diffraction regime can be reached with colloidal crystals.

  7. High resolution neutron imaging of water in the polymer electrolyte fuel cell membrane

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, Partha P [Los Alamos National Laboratory; Makundan, Rangachary [Los Alamos National Laboratory; Spendelow, Jacob S [Los Alamos National Laboratory; Borup, Rodney L [Los Alamos National Laboratory; Hussey, D S [NIST; Jacobson, D L [NIST; Arif, M [NIST

    2009-01-01

    Water transport in the ionomeric membrane, typically Nafion{reg_sign}, has profound influence on the performance of the polymer electrolyte fuel cell, in terms of internal resistance and overall water balance. In this work, high resolution neutron imaging of the Nafion{reg_sign} membrane is presented in order to measure water content and through-plane gradients in situ under disparate temperature and humidification conditions.

  8. 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.

  9. 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.

  10. 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.

  11. Feasibility study neutron diffraction at IRI

    Energy Technology Data Exchange (ETDEWEB)

    Haan, V.O. de

    1995-06-01

    Although neutron diffraction is a basic and relatively simple technique and should be available at a neutron source, it is not possible to perform neutron diffraction measurements at IRI at this moment. Until recently a neutron diffractometer with a relatively small flux at the sample position and a relaxed resolution (designed for liquid diffraction) was operated at IRI. Due to the modest neutron source intensity and the relatively old design (flat monochromator and single detector) this diffractometer was outdated. However, at a contemporary reactor source an instrument to perform neutron diffraction experiments cannot be missed. This study shows that thanks to recent developments in neutron diffraction optics it is possible to increase the flux, to enhance the resolution and to get a better flexibility. If also the number of detectors is increased or a position-sensitive detector is used to performance can be increased at least a thousand fold. A preliminary design is given to indicate how this gain can be realized. (orig.).

  12. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    Abstract. We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater ...

  13. High-resolution spectroscopy used to measure inertial confinement fusion neutron spectra on Omega (invited).

    Science.gov (United States)

    Forrest, C J; Radha, P B; Glebov, V Yu; Goncharov, V N; Knauer, J P; Pruyne, A; Romanofsky, M; Sangster, T C; Shoup, M J; Stoeckl, C; Casey, D T; Gatu-Johnson, M; Gardner, S

    2012-10-01

    The areal density (ρR) of cryogenic DT implosions on Omega is inferred by measuring the spectrum of neutrons that elastically scatter off the dense deuterium (D) and tritium (T) fuel. Neutron time-of-flight (nTOF) techniques are used to measure the energy spectrum with high resolution. High signal-to-background data has been recorded on cryogenic DT implosions using a well-collimated 13.4-m line of sight and an nTOF detector with an advanced liquid scintillator compound. An innovative method to analyze the elastically scattered neutron spectra was developed using well-known cross sections of the DT nuclear reactions. The estimated areal densities are consistent with alternative ρR measurements and 1-D simulations.

  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. 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.

  16. 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.

  17. Quantitative phase analysis by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Chang Hee; Song, Su Ho; Lee, Jin Ho; Shim, Hae Seop [Korea Atomic Energy Research Institute, Taejon (Korea)

    1999-06-01

    This study is to apply quantitative phase analysis (QPA) by neutron diffraction to the round robin samples provided by the International Union of Crystallography(IUCr). We measured neutron diffraction patterns for mixed samples which have several different weight percentages and their unique characteristic features. Neutron diffraction method has been known to be superior to its complementary methods such as X-ray or Synchrotron, but it is still accepted as highly reliable under limited conditions or samples. Neutron diffraction has strong capability especially on oxides due to its scattering cross-section of the oxygen and it can become a more strong tool for analysis on the industrial materials with this quantitative phase analysis techniques. By doing this study, we hope not only to do one of instrument performance tests on our HRPD but also to improve our ability on the analysis of neutron diffraction data by comparing our QPA results with others from any advanced reactor facilities. 14 refs., 4 figs., 6 tabs. (Author)

  18. Novel Large Area High Resolution Neutron Detector for the Spallation Neutron Source

    Energy Technology Data Exchange (ETDEWEB)

    Lacy, Jeffrey L

    2009-05-22

    Neutron scattering is a powerful technique that is critically important for materials science and structural biology applications. The knowledge gained from past developments has resulted in far-reaching advances in engineering, pharmaceutical and biotechnology industries, to name a few. New facilities for neutron generation at much higher flux, such as the SNS at Oak Ridge, TN, will greatly enhance the capabilities of neutron scattering, with benefits that extend to many fields and include, for example, development of improved drug therapies and materials that are stronger, longer-lasting, and more impact-resistant. In order to fully realize this enhanced potential, however, higher neutron rates must be met with improved detection capabilities, particularly higher count rate capability in large size detectors, while maintaining practicality. We have developed a neutron detector with the technical and economic advantages to accomplish this goal. This new detector has a large sensitive area, offers 3D spatial resolution, high sensitivity and high count rate capability, and it is economical and practical to produce. The proposed detector technology is based on B-10 thin film conversion of neutrons in long straw-like gas detectors. A stack of many such detectors, each 1 meter in length, and 4 mm in diameter, has a stopping power that exceeds that of He-3 gas, contained at practical pressures within an area detector. With simple electronic readout methods, straw detector arrays can provide spatial resolution of 4 mm FWHM or better, and since an array detector of such form consists of several thousand individual elements per square meter, count rates in a 1 m^2 detector can reach 2?10^7 cps. Moreover, each individual event can be timetagged with a time resolution of less than 0.1 ?sec, allowing accurate identification of neutron energy by time of flight. Considering basic elemental cost, this novel neutron imaging detector can be commercially produced economically

  19. 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...

  20. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    Science.gov (United States)

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter.

  1. Applications of TOF neutron diffraction in archaeometry

    Science.gov (United States)

    Kockelmann, W.; Siano, S.; Bartoli, L.; Visser, D.; Hallebeek, P.; Traum, R.; Linke, R.; Schreiner, M.; Kirfel, A.

    2006-05-01

    Neutron radiation meets the demand for a versatile diagnostic probe for collecting information from the interior of large, undisturbed museum objects or archaeological findings. Neutrons penetrate through coatings and corrosion layers deep into centimetre-thick materials, a property that makes them ideal for non-destructive examination of objects for which sampling is impractical or unacceptable. A particular attraction of neutron techniques for archaeologists and conservation scientists is the prospect of locating hidden materials and structures inside objects. Time-of-flight (TOF) neutron diffraction allows for the examination of mineral and metal phase contents, crystal structures, grain orientations, and microstructures as well as micro- and macro strains. A promising application is texture analysis which may provide clues to the deformation history of the material, and hence to specific working processes. Here we report on instructive examples of TOF neutron diffraction, including phase analyses of medieval Dutch tin-lead spoons, texture analyses of bronze specimens as well as of 16th-century silver coins.

  2. 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

  3. Data processing method for neutron diffraction experiments

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Palomino, L.A. [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Centro Atomico Bariloche, Instituto Balseiro, Comision Nacional de Energia Atomica, Universidad Nacional de Cuyo, 8400 Bariloche (Argentina); Dawidowski, J. [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Centro Atomico Bariloche, Instituto Balseiro, Comision Nacional de Energia Atomica, Universidad Nacional de Cuyo, 8400 Bariloche (Argentina)]. E-mail: javier@cab.cnea.gov.ar; Blostein, J.J. [Consejo Nacional de Investigaciones Cientificas y Tecnicas, Centro Atomico Bariloche, Instituto Balseiro, Comision Nacional de Energia Atomica, Universidad Nacional de Cuyo, 8400 Bariloche (Argentina); Cuello, G.J. [Institut Laue Langevin, Boite Postale 156, F-38042 Grenoble Cedex 9 (France)

    2007-05-15

    We present a procedure to perform multiple scattering, attenuation and efficiency corrections in reactor neutron diffraction experiments, based on a Monte Carlo code applied iteratively. We discuss the application of two procedures, the first based on Granada's synthetic model, useful for incoherent scatterers, and the second, based on the measured experimental distributions for coherent scatterers. Experiments on samples of polyethylene, light water, heavy water and Teflon of different sizes were performed and the correction procedures are tested. The problem of normalization in an absolute scale in diffraction experiments is addressed and results obtained from the present procedure are shown.

  4. 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.

  5. DNA hydration studied by neutron fiber diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Fuller, W.; Forsyth, V.T.; Mahendrasingam, A.; Langan, P.; Pigram, W.J. [Keele Univ. (United Kingdom)] [and others

    1994-12-31

    The development of neutron high angle fiber diffraction to investigate the location of water around the deoxyribonucleic acid (DNA) double-helix is described. The power of the technique is illustrated by its application to the D and A conformations of DNA using the single crystal diffractometer, D19, at the Institute Laue-Langevin, Grenoble and the time of flight diffractometer, SXD, at the Rutherford Appleton ISIS Spallation Neutron Source. These studies show the existence of bound water closely associated with the DNA. The patterns of hydration in these two DNA conformations are quite distinct and are compared to those observed in X-ray single crystal studies of two-stranded oligodeoxynucleotides. Information on the location of water around the DNA double-helix from the neutron fiber diffraction studies is combined with that on the location of alkali metal cations from complementary X-ray high angle fiber diffraction studies at the Daresbury Laboratory SRS using synchrotron radiation. These analyses emphasize the importance of viewing DNA, water and ions as a single system with specific interactions between the three components and provide a basis for understanding the effect of changes in the concentration of water and ions in inducing conformations] transitions in the DNA double-helix.

  6. Workshop on industrial application of neutron diffraction. Stress measurement by neutron diffraction

    CERN Document Server

    Minakawa, N; Morii, Y; Oyama, Y

    2002-01-01

    This workshop was planned to make use of the neutron from the reactor and the pulse neutron source JSNS for the industrial world. Especially, this workshop focused on the stress measurement by the neutron diffraction and it was held on the Tokai JAERI from October 15 to 16, 2001. The participant total was 93 and 40 participated from the industrial world. The introduction of the residual stress development of measurement technique by the neutron diffraction method and a research of the measurement of the residual stress such as the nuclear reactor material, the ordinary structure material, the composite material, the quenching steel, the high strength material were presented and discussed in this workshop. Moreover, it was introduced for the industrial world that an internal stress measurement is important for development of new product or an improvement of a manufacturing process. The question from the industrial world about which can be measured the product form, the size, the measurement precision, the reso...

  7. 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.

  8. 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.

  9. 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.

  10. Neutron diffraction studies of thin film multilayer structures

    Energy Technology Data Exchange (ETDEWEB)

    Majkrzak, C.F.

    1985-01-01

    The application of neutron diffraction methods to the study of the microscopic chemical and magnetic structures of thin film multilayers is reviewed. Multilayer diffraction phenomena are described in general and in particular for the case in which one of the materials of a bilayer is ferromagnetic and the neutron beam polarized. Recent neutron diffraction measurements performed on some interesting multilayer systems are discussed. 70 refs., 5 figs.

  11. 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.

  12. Neutron irradiation damage of nuclear graphite studied by high-resolution transmission electron microscopy and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Krishna, R. [Dalton Cumbrian Facility, Dalton Nuclear Institute, The University of Manchester, Westlakes Science & Technology Park, Moor Row, Whitehaven, Cumbria, CA24 3HA (United Kingdom); Jones, A.N., E-mail: Abbie.Jones@manchester.ac.uk [Nuclear Graphite Research Group, School of MACE, The University of Manchester, Manchester, M13 9PL (United Kingdom); McDermott, L.; Marsden, B.J. [Nuclear Graphite Research Group, School of MACE, The University of Manchester, Manchester, M13 9PL (United Kingdom)

    2015-12-15

    Nuclear graphite components are produced from polycrystalline artificial graphite manufacture from a binder and filler coke with approximately 20% porosity. During the operational lifetime, nuclear graphite moderator components are subjected to fast neutron irradiation which contributes to the change of material and physical properties such as thermal expansion co-efficient, young's modulus and dimensional change. These changes are directly driven by irradiation-induced changes to the crystal structure as reflected through the bulk microstructure. It is therefore of critical importance that these irradiation changes and there implication on component property changes are fully understood. This work examines a range of irradiated graphite samples removed from the British Experimental Pile Zero (BEPO) reactor; a low temperature, low fluence, air-cooled Materials Test Reactor which operated in the UK. Raman spectroscopy and high-resolution transmission electron microscopy (HRTEM) have been employed to characterise the effect of increased irradiation fluence on graphite microstructure and understand low temperature irradiation damage processes. HRTEM confirms the structural damage of the crystal lattice caused by irradiation attributed to a high number of defects generation with the accumulation of dislocation interactions at nano-scale range. Irradiation-induced crystal defects, lattice parameters and crystallite size compared to virgin nuclear graphite are characterised using selected area diffraction (SAD) patterns in TEM and Raman Spectroscopy. The consolidated ‘D’peak in the Raman spectra confirms the formation of in-plane point defects and reflected as disordered regions in the lattice. The reduced intensity and broadened peaks of ‘G’ and ‘D’ in the Raman and HRTEM results confirm the appearance of turbulence and disordering of the basal planes whilst maintaining their coherent layered graphite structure. - Highlights: • Irradiated graphite

  13. Neutron irradiation damage of nuclear graphite studied by high-resolution transmission electron microscopy and Raman spectroscopy

    Science.gov (United States)

    Krishna, R.; Jones, A. N.; McDermott, L.; Marsden, B. J.

    2015-12-01

    Nuclear graphite components are produced from polycrystalline artificial graphite manufacture from a binder and filler coke with approximately 20% porosity. During the operational lifetime, nuclear graphite moderator components are subjected to fast neutron irradiation which contributes to the change of material and physical properties such as thermal expansion co-efficient, young's modulus and dimensional change. These changes are directly driven by irradiation-induced changes to the crystal structure as reflected through the bulk microstructure. It is therefore of critical importance that these irradiation changes and there implication on component property changes are fully understood. This work examines a range of irradiated graphite samples removed from the British Experimental Pile Zero (BEPO) reactor; a low temperature, low fluence, air-cooled Materials Test Reactor which operated in the UK. Raman spectroscopy and high-resolution transmission electron microscopy (HRTEM) have been employed to characterise the effect of increased irradiation fluence on graphite microstructure and understand low temperature irradiation damage processes. HRTEM confirms the structural damage of the crystal lattice caused by irradiation attributed to a high number of defects generation with the accumulation of dislocation interactions at nano-scale range. Irradiation-induced crystal defects, lattice parameters and crystallite size compared to virgin nuclear graphite are characterised using selected area diffraction (SAD) patterns in TEM and Raman Spectroscopy. The consolidated 'D'peak in the Raman spectra confirms the formation of in-plane point defects and reflected as disordered regions in the lattice. The reduced intensity and broadened peaks of 'G' and 'D' in the Raman and HRTEM results confirm the appearance of turbulence and disordering of the basal planes whilst maintaining their coherent layered graphite structure.

  14. 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.

  15. A compact fast-neutron producing target for high resolution cross section measurements

    NARCIS (Netherlands)

    Flaska, M.

    2006-01-01

    A proper knowledge of neutron cross sections is very important for the operation safety of various nuclear facilities. Reducing uncertainties in the neutron cross sections can lead to an enhanced safety of present and future nuclear power systems. Accurate neutron cross sections also play a relevant

  16. 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)

  17. High-Resolution Neutron Radiography Analysis of Proton Exchange Membrane Fuel Cells

    Science.gov (United States)

    Hussey, D. S.; Jacobson, D. L.

    Neutron radiography enables direct visualization and quantification of many water transport phenomena in proton exchange membrane fuel cells (PEMFCs). The advantage of the technique is that neutrons have a long penetration length through most common PEMFC materials of construction (with a 1/e length of about 11 cm for aluminum), while having a relatively short 1/e length for water (of order 3 mm). This sensitivity to water enables precise measurements via neutron radiography of the water content in an operating PEMFC that are primarily limited by systematic measurement uncertainties. Recent advances in the spatial resolution of neutron detector technology enable direct measurement of the through-plane water content. This new data provides gas diffusion layer water profiles that can serve as input or comparison data for a large class of one-dimensional PEMFC models. In this article, the technique of neutron radiography is discussed, with an emphasis on the quantitative image analysis of the through-plane water content.

  18. Development of neutron resonance spin flipper for high resolution NRSE spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Kitaguchi, Masaaki [Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494 (Japan)]. E-mail: kitaguch@rri.kyoto-u.ac.jp; Hino, Masahiro [Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494 (Japan); Kawabata, Yuji [Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494 (Japan); Hayashida, Hirotoshi [Faculty of Engineering, Kyoto University, Kyoto 606-8501 (Japan); Tasaki, Seiji [Faculty of Engineering, Kyoto University, Kyoto 606-8501 (Japan); Maruyama, Ryuji [JAEA, Tokai, Ibaraki 319-1195 (Japan); Yamazaki, Dai [JAEA, Tokai, Ibaraki 319-1195 (Japan); Ebisawa, Toru [JAEA, Tokai, Ibaraki 319-1195 (Japan); Torikai, Naoya [KEK, Tsukuba, Ibaraki 305-0801 (Japan)

    2006-11-15

    Neutron spin echo (NSE) is one of the techniques with the highest energy resolution for measurement of quasi-elastic scattering. In neutron resonance spin echo (NRSE), two separated neutron resonance spin flippers (RSFs) replace a homogeneous static magnetic field for spin precession in a conventional NSE. We have made a new type of RSF with pure aluminum wires in order to reduce the scattering from the surface. Test experiments have been performed at cold neutron beam line MINE1 at JRR-3M reactor in JAERI and the beam line CN3 at KUR The spin-flip probability was higher than 0.95 at a neutron wavelength of 0.81 nm and a RSF frequency of 100 kHz.

  19. 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

  20. A new bridge technique for neutron tomography and diffraction measurements

    Energy Technology Data Exchange (ETDEWEB)

    Burca, G., E-mail: G.Burca@open.ac.uk [Materials Engineering, Open University, Milton Keynes, MK7 6AA (United Kingdom); James, J.A. [Materials Engineering, Open University, Milton Keynes, MK7 6AA (United Kingdom); Kockelmann, W. [ISIS Facility, STFC, Rutherford Appleton Laboratory, Chilton, OX11 0QX (United Kingdom); Fitzpatrick, M.E. [Materials Engineering, Open University, Milton Keynes, MK7 6AA (United Kingdom); Zhang, S.Y. [ISIS Facility, STFC, Rutherford Appleton Laboratory, Chilton, OX11 0QX (United Kingdom); Hovind, J. [Paul Scherrer Institute (PSI), CH-5232, Villigen (Switzerland); Langh, R. van [Delft University of Technology, Department of Materials Science, Faculty 3mE, Mekelweg 2, 2628 CD Delft (Netherlands); Rijksmuseum Amsterdam, P.O. Box 74888, 1070 DN Amsterdam (Netherlands)

    2011-09-21

    An attractive feature of neutron techniques is the ability to identify hidden materials and structures inside engineering components and objects of art and archaeology. Bearing this in mind we are investigating a new technique, 'Tomography Driven Diffraction' (TDD), that exploits tomography data to guide diffraction experiments on samples with complex structures and shapes. The technique can be used utilising combinations of individual tomography and diffraction instruments, such as NEUTRA (PSI, CH) and ENGIN-X (ISIS, UK), but is also suitable for new combined imaging and diffraction instruments such as the JEEP synchrotron engineering instrument (DIAMOND, UK) and the proposed IMAT neutron imaging and diffraction instrument (ISIS, UK).

  1. First measurements with new high-resolution gadolinium-GEM neutron detectors

    CERN Document Server

    Pfeiffer, Dorothea; Birch, Jens; Etxegarai, Maddi; Hall-Wilton, Richard; Höglund, Carina; Hultman, Lars; Llamas-Jansa, Isabel; Oliveri, Eraldo; Oksanen, Esko; Robinson, Linda; Ropelewski, Leszek; Schmidt, Susann; Streli, Christina; Thuiner, Patrik

    2016-05-17

    European Spallation Source instruments like the macromolecular diffractometer, NMX, require an excellent neutron detection efficiency, high-rate capabilities, time resolution, and an unprecedented spatial resolution in the order of a few hundred micrometers over a wide angular range of the incoming neutrons. For these instruments solid converters in combination with Micro Pattern Gaseous Detectors (MPGDs) are a promising option. A GEM detector with gadolinium converter was tested on a cold neutron beam at the IFE research reactor in Norway. The {\\mu}TPC analysis, proven to improve the spatial resolution in the case of $^{10}$B converters, is extended to gadolinium based detectors. For the first time, a Gd-GEM was successfully operated to detect neutrons with an estimated efficiency of 10% at a wavelength of 2 {\\AA} and a position resolution better than 350 {\\mu}m.

  2. 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.

  3. Prospect for application of compact accelerator-based neutron source to neutron engineering diffraction

    Science.gov (United States)

    Ikeda, Yoshimasa; Taketani, Atsushi; Takamura, Masato; Sunaga, Hideyuki; Kumagai, Masayoshi; Oba, Yojiro; Otake, Yoshie; Suzuki, Hiroshi

    2016-10-01

    A compact accelerator-based neutron source has been lately discussed on engineering applications such as transmission imaging and small angle scattering as well as reflectometry. However, nobody considers using it for neutron diffraction experiment because of its low neutron flux. In this study, therefore, the neutron diffraction experiments are carried out using Riken Accelerator-driven Compact Neutron Source (RANS), to clarify the capability of the compact neutron source for neutron engineering diffraction. The diffraction pattern from a ferritic steel was successfully measured by suitable arrangement of the optical system to reduce the background noise, and it was confirmed that the recognizable diffraction pattern can be measured by a large sampling volume with 10 mm in cubic for an acceptable measurement time, i.e. 10 min. The minimum resolution of the 110 reflection for RANS is approximately 2.5% at 8 μs of the proton pulse width, which is insufficient to perform the strain measurement by neutron diffraction. The moderation time width at the wavelength corresponding to the 110 reflection is estimated to be approximately 30 μs, which is the most dominant factor to determine the resolution. Therefore, refinements of the moderator system to decrease the moderation time by decreasing a thickness of the moderator or by applying the decoupler system or application of the angular dispersive neutron diffraction technique are important to improve the resolution of the diffraction experiment using the compact neutron source. In contrast, the texture evolution due to plastic deformation was successfully observed by measuring a change in the diffraction peak intensity by RANS. Furthermore, the volume fraction of the austenitic phase in the dual phase mock specimen was also successfully evaluated by fitting the diffraction pattern using a Rietveld code. Consequently, RANS has been proved to be capable for neutron engineering diffraction aiming for the easy access

  4. Prospect for application of compact accelerator-based neutron source to neutron engineering diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Ikeda, Yoshimasa, E-mail: yoshimasa.ikeda@riken.jp [Center for Advanced Photonics, RIKEN, Wako, Saitama 351-0198 (Japan); Taketani, Atsushi; Takamura, Masato; Sunaga, Hideyuki [Center for Advanced Photonics, RIKEN, Wako, Saitama 351-0198 (Japan); Kumagai, Masayoshi [Faculty of Engineering, Tokyo City University, Setagaya, Tokyo 158-8857 (Japan); Oba, Yojiro [Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494 (Japan); Otake, Yoshie [Center for Advanced Photonics, RIKEN, Wako, Saitama 351-0198 (Japan); Suzuki, Hiroshi [Materials Sciences Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

    2016-10-11

    A compact accelerator-based neutron source has been lately discussed on engineering applications such as transmission imaging and small angle scattering as well as reflectometry. However, nobody considers using it for neutron diffraction experiment because of its low neutron flux. In this study, therefore, the neutron diffraction experiments are carried out using Riken Accelerator-driven Compact Neutron Source (RANS), to clarify the capability of the compact neutron source for neutron engineering diffraction. The diffraction pattern from a ferritic steel was successfully measured by suitable arrangement of the optical system to reduce the background noise, and it was confirmed that the recognizable diffraction pattern can be measured by a large sampling volume with 10 mm in cubic for an acceptable measurement time, i.e. 10 min. The minimum resolution of the 110 reflection for RANS is approximately 2.5% at 8 μs of the proton pulse width, which is insufficient to perform the strain measurement by neutron diffraction. The moderation time width at the wavelength corresponding to the 110 reflection is estimated to be approximately 30 μs, which is the most dominant factor to determine the resolution. Therefore, refinements of the moderator system to decrease the moderation time by decreasing a thickness of the moderator or by applying the decoupler system or application of the angular dispersive neutron diffraction technique are important to improve the resolution of the diffraction experiment using the compact neutron source. In contrast, the texture evolution due to plastic deformation was successfully observed by measuring a change in the diffraction peak intensity by RANS. Furthermore, the volume fraction of the austenitic phase in the dual phase mock specimen was also successfully evaluated by fitting the diffraction pattern using a Rietveld code. Consequently, RANS has been proved to be capable for neutron engineering diffraction aiming for the easy access

  5. 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.)

  6. Future directions in high-pressure neutron diffraction

    Science.gov (United States)

    Guthrie, M.

    2015-04-01

    The ability to manipulate structure and properties using pressure has been well known for many centuries. Diffraction provides the unique ability to observe these structural changes in fine detail on lengthscales spanning atomic to nanometre dimensions. Amongst the broad suite of diffraction tools available today, neutrons provide unique capabilities of fundamental importance. However, to date, the growth of neutron diffraction under extremes of pressure has been limited by the weakness of available sources. In recent years, substantial government investments have led to the construction of a new generation of neutron sources while existing facilities have been revitalized by upgrades. The timely convergence of these bright facilities with new pressure-cell technologies suggests that the field of high-pressure (HP) neutron science is on the cusp of substantial growth. Here, the history of HP neutron research is examined with the hope of gleaning an accurate prediction of where some of these revolutionary capabilities will lead in the near future. In particular, a dramatic expansion of current pressure-temperature range is likely, with corresponding increased scope for extreme-conditions science with neutron diffraction. This increase in coverage will be matched with improvements in data quality. Furthermore, we can also expect broad new capabilities beyond diffraction, including in neutron imaging, small angle scattering and inelastic spectroscopy.

  7. High resolution collinear resonance ionization spectroscopy of neutron-rich $^{76,77,78}$Cu isotopes

    CERN Document Server

    AUTHOR|(CDS)2083035

    In this work, nuclear magnetic dipole moments, electric quadrupole moments, nuclear spins and changes in the mean-squared charge radii of radioactive copper isotopes are presented. Reaching up to $^{78}$Cu ($Z=29$, $N=49$), produced at rates of only 10 particles per second, these measurements represent the most exotic laser spectroscopic investigations near the doubly-magic and very exotic $^{78}$Ni ($Z=28$,$N=50$) to date. This thesis outlines the technical developments and investigations of laser-atom interactions that were performed during this thesis. These developments were crucial for establishing a high-resolution, high sensitivity collinear resonance ionization spectroscopy experiment at ISOLDE, CERN. This thesis furthermore provides a detailed description of the analysis tools that were implemented and applied to extract the nuclear observables from the experimental data. The results were compared to several large-scale shell model calculations, and provide deep insight into the structure of $^{78}$N...

  8. A high resolution, inelastic neutron scattering investigation of tunnelling methyl groups in aspirin

    Science.gov (United States)

    Johnson, M. R.; Frick, B.; Trommsdorff, H. P.

    1996-08-01

    The tunnel frequency of protonated methyl groups in aspirin has been measured, by inelastic neutron scattering, at 2 K, to be 1.22 μeV. This result and the temperature dependence up to 42 K are in poor agreement with NMR measurements of deuterated methyl groups which conclude that the rotational potential is purely three-fold symmetric. The discrepancy is attributed to a six-fold contribution in the rotational potential for which justification is provided by a calculation of the rotational potential based on the room temperature crystal structure.

  9. Diffraction on disordered materials using 'neutron-like' photons

    DEFF Research Database (Denmark)

    Neuefeind, J.; Poulsen, H.F.

    1995-01-01

    In the past photon diffraction has been carried out mainly using the characteristic radiation from X-ray tubes in the energy range from about 8-20 keV. Comparison of these experiments with neutron diffraction results is difficult since in this energy range the photoelectric absorption is the pred......In the past photon diffraction has been carried out mainly using the characteristic radiation from X-ray tubes in the energy range from about 8-20 keV. Comparison of these experiments with neutron diffraction results is difficult since in this energy range the photoelectric absorption...... is the predominant process. The photoelectric absorption decreases with lambda(3), so increasing the energy to about 100 keV has a drastic effect on the absorption coefficient. Photons in the high energy rang can be obtained conveniently from modern synchrotron sources. High energy photon diffraction has additional...

  10. High Resolution Spectroscopy And Timing Of The Isolated Neutron Star RBS 1774

    Science.gov (United States)

    Mushotzky, Richard (Technical Monitor); Drake, Jeremy

    2005-01-01

    The 2004 May 31 XMM-Newton observation was reprocessed using SASv6.0.0 and times of high background were filtered out. The net exposure time remaining was 23 ks. The source was clearly detected in MOS1, MOS2 and PN chips. We performed both timing and spectroscopic analysis on the data. We performed a spectral analysis by fitting data from the three EPIC detectors simultaneously, finding that the broadband spectrum can be represented by a single absorbed blackbody, with kT = 0.10 keV. The fitting revealed the presence of an absorption feature at 0:7 keV, but the data did have enough resolution to allow us to discriminate between an absorption line and an edge. We also tested magnetized models of Pavlov et a1 and Zavlin et al, but found that fits with these models were considerably worse than with a blackbody. For the timing analysis, we extracted the counts within a 3000 radius aperture in both PN and MOS 1 and MOS2 but with the aperture truncated by a chord where it approached the edge of the CCD window in each case: this maximized the counts while avoiding any edge effects. We analyzed PN, MOSl and MOS2 data both individually and combined using the Maximum Likelihood Periodogram technique of Zane et al. (2002) and Cropper et al. (2004). Periods from 10000 s to 30 ms were searched, ensuring that in each case the period grid was 2.5 times better sampled than the Nyquist frequency. The search revealed a significant period at 9.437s. Taken overall, we found the characteristics of RBS 1774 to be remarkably similar to those of another X-ray faint isolated neutron stars. These results were written up for the Astrophysical Journal, and the paper has recently been accepted for publication.

  11. 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...

  12. Maximizing Macromolecule Crystal Size for Neutron Diffraction Experiments

    Science.gov (United States)

    Judge, R. A.; Kephart, R.; Leardi, R.; Myles, D. A.; Snell, E. H.; vanderWoerd, M.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    A challenge in neutron diffraction experiments is growing large (greater than 1 cu mm) macromolecule crystals. In taking up this challenge we have used statistical experiment design techniques to quickly identify crystallization conditions under which the largest crystals grow. These techniques provide the maximum information for minimal experimental effort, allowing optimal screening of crystallization variables in a simple experimental matrix, using the minimum amount of sample. Analysis of the results quickly tells the investigator what conditions are the most important for the crystallization. These can then be used to maximize the crystallization results in terms of reducing crystal numbers and providing large crystals of suitable habit. We have used these techniques to grow large crystals of Glucose isomerase. Glucose isomerase is an industrial enzyme used extensively in the food industry for the conversion of glucose to fructose. The aim of this study is the elucidation of the enzymatic mechanism at the molecular level. The accurate determination of hydrogen positions, which is critical for this, is a requirement that neutron diffraction is uniquely suited for. Preliminary neutron diffraction experiments with these crystals conducted at the Institute Laue-Langevin (Grenoble, France) reveal diffraction to beyond 2.5 angstrom. Macromolecular crystal growth is a process involving many parameters, and statistical experimental design is naturally suited to this field. These techniques are sample independent and provide an experimental strategy to maximize crystal volume and habit for neutron diffraction studies.

  13. Internal strain measurement using pulsed neutron diffraction at LANSCE

    Energy Technology Data Exchange (ETDEWEB)

    Goldstone, J.A.; Bourke, M.A.M.; Shi, N. [Los Alamos National Lab., NM (United States). Manuel Lujan Jr. Neutron Scattering Center

    1994-12-01

    The presence of residual stress in engineering components can effect their mechanical properties and structural integrity. Neutron diffraction in the only technique that can make nondestructive measurements in the interior of components. By recording the change in crystalline lattice spacings, elastic strains can be measured for individual lattice reflections. Using a pulsed neutron source, all lattice reflections are recorded in each measurement, which allows for easy examination of heterogeneous materials such as metal matrix composites. Measurements made at the Manuel Lujan Jr. Neutron Scattering Center (LANSCE) demonstrate the potential at pulsed sources for in-situ stress measurements at ambient and elevated temperatures.

  14. 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...

  15. Phase modulation of a neutron wave and diffraction of ultracold neutrons on a moving grating

    Energy Technology Data Exchange (ETDEWEB)

    Frank, A.I.; Balashov, S.N.; Bondarenko, I.V.; Geltenbort, P.; Hoeghoej, P.; Masalovich, S.V.; Nosov, V.G

    2003-05-05

    We report the result of the experiment of UCN diffraction on a moving grating. The resulting spectrum is found to be discrete in good agreement with theory. This purely quantum effect may be interpret as a result of phase modulation of the neutron wave or as diffraction in time. Also, this experiment demonstrates the validity of the Galilean transformation of the neutron wave function in a new and very clear way.

  16. Zinc (tris) thiourea sulphate (ZTS): A single crystal neutron diffraction ...

    Indian Academy of Sciences (India)

    2015-11-27

    Nov 27, 2015 ... The crystal structure of ZTS has been determined by neutron diffraction with a final -value of 0.026. Using the structural parameters, the contributions from the structural groups to the linear optical susceptibility and linear electro-optic coefficients have been evaluated. Results showed a significant ...

  17. Neutron Diffraction Investigation of MnAs under High Pressure

    DEFF Research Database (Denmark)

    Andresen, A.F; Fjellvag, H; Lebech, Bente

    1984-01-01

    Powdered MnAs has been investigated by neutron diffraction in a pressure cryostat, at hydrostatic pressures up to 13 kbar and temperatures down to 4.2 K. It has been found that in the orthorhombic MnP type structure, which under pressure is retained at low temperature, a spiral magnetic structure...

  18. Zinc (tris) thiourea sulphate (ZTS): A single crystal neutron diffraction ...

    Indian Academy of Sciences (India)

    tal which is used for electro-optical (EO) applications and frequency doubling of near IR laser radiations. In this study, the crystal structure of ZTS has been ob- tained in detail by single crystal neutron diffraction technique. Using the structural parameters and an existing formalism [1] based on the theory of bond polarizability,.

  19. High-speed neutron Laue diffraction comes of age

    Energy Technology Data Exchange (ETDEWEB)

    McIntyre, Garry J. [Institut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9 (France)]. E-mail: mcintyre@ill.fr; Lemee-Cailleau, Marie-Helene [Institut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9 (France); Wilkinson, Clive [Institut Laue-Langevin, BP 156, 38042 Grenoble Cedex 9 (France): Department of Chemistry, University of Durham, Durham DH1 3LE (United Kingdom)

    2006-11-15

    The first years of operation of the Laue diffractometer VIVALDI at the ILL are reviewed. Neutron Laue diffraction with image-plate detection on a thermal beam is now a high-performance technique especially well suited to small crystals, rapid chemical crystallography, reciprocal-space surveys and studies of structural and magnetic phase transitions.

  20. A preliminary neutron diffraction study of γ-­chymotrypsin

    Science.gov (United States)

    Novak, Walter R. P.; Moulin, Aaron G.; Blakeley, Matthew P.; Schlichting, Ilme; Petsko, Gregory A.; Ringe, Dagmar

    2009-01-01

    The crystal preparation and preliminary neutron diffraction analysis of γ-­chymotrypsin are presented. Large hydrogenated crystals of γ-chymotrypsin were exchanged into deuterated buffer via vapor diffusion in a capillary and neutron Laue diffraction data were collected from the resulting crystal to 2.0 Å resolution on the LADI-III diffractometer at the Institut Laue–Langevin (ILL) at room temperature. The neutron structure of a well studied protein such as γ-­chymotrypsin, which is also amenable to ultrahigh-resolution X-ray crystallo­graphy, represents the first step in developing a model system for the study of H atoms in protein crystals. PMID:19255494

  1. Neutron Diffraction Studies of Nuclear Magnetic Ordering in Copper

    DEFF Research Database (Denmark)

    Jyrkkiö, T.A.; Huiku, M.T.; Siemensmeyer, K.

    1989-01-01

    to depend strongly on the external magnetic field between zero and the critical fieldB c=0.25 mT, indicating the existence of at least two antiferromagnetic phases. The results are compared to previous measurements of the magnetic susceptibility. Theoretical calculations do not provide a full explanation......We have constructed a two-stage nuclear demagnetization cryostat for neutron diffraction studies of nuclear magnetism in copper. The cryostat is combined with a two-axis neutron spectrometer which can use both polarized and unpolarized neutrons. By demagnetizing highly polarized copper nuclear...... for measurements in the ordered state; both our calculations and the experiments yield 1 nW beam heating. Polarized neutron experiments show that the scattered intensities from the strong fcc reflections are severely reduced by extinction. This makes the sample not very suitable for further studies with polarized...

  2. 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...

  3. Structural characterization of substituted lanthanum tungstates with X-ray and neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Fantin, Andrea; Scherb, Tobias; Schumacher, Gerhard [Helmholtz-Zentrum Berlin fuer Materialen und Energie (Germany); Seeger, Janka; Meulenberg, Wilhelm A. [Forschungszentrum Juelich (Germany)

    2015-07-01

    Our work on proton conducting materials deals with structural characterization of two different series of substituted lanthanum tungstates: La5.4W(1-x)MxO12-delta with M=Mo,Re and 0<=x<=0.2. The main methods used to understand their crystal structure are Neutron Diffraction (ND) and High-Resolution X-Ray Diffraction (HRXRD). Experiments were carried at ILL (Grenoble, France) and PSI (Villigen, Switzerland). Different elemental contrast is reached with these complementary diffraction techniques. Our specimens consist of three cations (La, W, Mo or Re) and oxygen anions. In order to distinguish W (Z=74, b=4.86fm) and Re (Z=75, b=9.2fm) neutrons are needed, while for La (Z=57, b=8.2fm), W(Z=74, b=4.86fm) and Mo (Z=42, b=6.7fm) good contrast is also given by X-Rays. Combined refinements to model accurately anti-site disorder, position of the substituted elements and oxygen (Z=8, b=5.8fm) positions in this highly disordered material are mandatory. Measurements in dependence of temperature down to 1.5K confirm the structural model suggested by one of the coauthors without any unmodeled static disorder. Substitution and deuteration/humidification show no relevant structural changes.

  4. 3DXRD microscopy - a comparison with neutron diffraction

    DEFF Research Database (Denmark)

    Poulsen, H.F.

    2002-01-01

    3DXRD microscopy is a novel tool for fast and non-destructive characterisation of the individual grains and sub-grains inside bulk materials (powders or polycrystals). The method is based on diffraction with hard X-rays (E > 50 keV), enabling 3D studies of millimeter to centimeter-thick specimens...... of the technique is presented and the potential for in situ processing studies illustrated. The hard-X-ray method is compared to conventional neutron-diffraction techniques: texture and strain measurements, small-angle scattering, and in situ powder diffraction.......3DXRD microscopy is a novel tool for fast and non-destructive characterisation of the individual grains and sub-grains inside bulk materials (powders or polycrystals). The method is based on diffraction with hard X-rays (E > 50 keV), enabling 3D studies of millimeter to centimeter-thick specimens...

  5. Investigation of Methacrylic Acid at High Pressure Using Neutron Diffraction

    DEFF Research Database (Denmark)

    Marshall, William G.; Urquhart, Andrew; Oswald, Iain D. H.

    2015-01-01

    This article shows that pressure can be a low-intensity route to the synthesis of polymethacrylic acid. The exploration of perdeuterated methacrylic acid at high pressure using neutron diffraction reveals that methacrylic acid exhibits two polymorphic phase transformations at relatively low...... pressures. The first is observed at 0.39 GPa, where both phases were observed simultaneously and confirm our previous observations. This transition is followed by a second transition at 1.2 GPa to a new polymorph that is characterized for the first time. On increasing pressure, the diffraction pattern...

  6. Investigation of Acrylic Acid at High Pressure using Neutron Diffraction

    DEFF Research Database (Denmark)

    Johnston, Blair F.; Marshall, William G.; Parsons, Simon

    2014-01-01

    This article details the exploration of perdeuterated acrylic acid at high pressure using neutron diffraction. The structural changes that occur in acrylic acid-d4 are followed via diffraction and rationalised using the Pixel method. Acrylic acid undergoes a reconstructive phase transition to a new...... phase at ~0.8 GPa and remains molecular to 7.2 GPa before polymerising on decompression to ambient pressure. The resulting product is analysed via Raman, FT-IR spectroscopy and Differential Scanning Calorimetry and found to possess a different molecular structure compared with polymers produced via...

  7. Structure of amorphous selenium studied by neutron diffraction

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Knudsen, Torben Steen; Carneiro, K.

    1975-01-01

    Neutron diffraction measurements on amorphous selenium have been performed at 293 and 80 K. Careful analyses of the instrumental corrections were made to avoid systematic errors in the measured structure factor S (kappa) in the wave vector region 0 ? kappa ? 12 Å−1. As a result of the data...... treatment, the neutron scattering cross sections of selenium are determined to be sigmacoh = 8.4±0.1 b and sigmainc = 0.1±0.1 b. Using the fact that S (kappa) for large kappa's is determined by the short distances in the sample, a new method for extrapolation of the experimental S (kappa) until convergence....... Finally, we give a brief discussion of the different models for the structure of amorphous selenium, taking both diffraction measurements and thermodynamic considerations into account. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....

  8. Magnetization and neutron diffraction studies on FeCrP

    Indian Academy of Sciences (India)

    thorhombic FeZrP type structure (Pnma space group, Z = 4) in which Cr atoms occupy ... Magnetization measurements have been made on a vibrating sample ... Results of profile refinement of neutron diffraction data on FeCrP at 300 K. Space group = Pnma; a = 5.833(1) Å, b = 3.569(1) Å and c = 6.658(1) Å. Atom. Position.

  9. 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.

  10. 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.

  11. 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.

  12. Engineering related neutron diffraction measurements probing strains, texture and microstructure

    Energy Technology Data Exchange (ETDEWEB)

    Clausen, Bjorn [Los Alamos National Laboratory; Brown, Donald W [Los Alamos National Laboratory; Tome, Carlos N [Los Alamos National Laboratory; Balogh, Levente [Los Alamos National Laboratory; Vogel, Sven C [Los Alamos National Laboratory

    2010-01-01

    Neutron diffraction has been used for engineering applications for nearly three decades. The basis of the technique is powder diffraction following Bragg's Law. From the measured diffraction patterns information about internal, or residual, strain can be deduced from the peak positions, texture information can be extracted from the peak intensities, and finally the peak widths can provide information about the microstructure, e.g. dislocation densities and grain sizes. The strains are measured directly from changes in lattice parameters, however, in many cases it is non-trivial to determine macroscopic values of stress or strain from the measured data. The effects of intergranular strains must be considered, and combining the neutron diffraction measurements with polycrystal deformation modeling has proven invaluable in determining the overall stress and strain values of interest in designing and dimensioning engineering components. Furthelmore, the combined use of measurements and modeling has provided a tool for elucidating basic material properties, such as critical resolved shear stresses for the active deformation modes and their evolution as a function of applied deformation.

  13. 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.

  14. 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.)

  15. 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).

  16. Stabilized voltage sources for a slow neutron diffraction analyzer

    Energy Technology Data Exchange (ETDEWEB)

    Plyusnin, N.I.; Lobachev, S.A.; Galkin, N.G.

    An unified voltage source (UVS) and filament voltage source (FVS) are described' The sources are used for a slow neutron diffraction analyzer. FVS supplies the filament of a gun cathode and provides beam currents upto 2 mA at electric currents upto 5A and voltages upto 8V. FVS is built by a compensation scheme with continuous control. It possesses a control element with high output power and trigger protection. The range of the EVS protection circuit operation threshold control is 1-5 A, instability of output voltage doesn't exceed 1 mV, the load power consumption doesn't exceed 40 W. UVS is also built according to compensation principle with continuous control and non-regulated power supply of a negative feedback amplifier. The output voltage is controlled within the limits of 5-250 V, maximum load current is 5 mA, instability of output voltage doesn't exceed 50 mV, maximum power consumption is 1.5 W. Simplicity of the UVS circuit is reached by application of the minimum number of active and passive elements, and reliability - by the circuit protection from overloads. Operation of the slow neutron diffraction analyzer, a control unit of which is built on the base of the above voltage sources, proves their reliability and convenience. Diffraction patterns of good quality are obtained.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. From a single Neutron Monitor to an International Network: the Real-Time Database for High-Resolution Neutron Monitor Measurements (NMDB)

    Science.gov (United States)

    Steigies, C. T.

    2016-12-01

    Cosmic rays are routinely measured by standardized ground-based Neutron Monitors (NM) around the world. Stations provide measurements as 1-hour averages to the World-Data Center for Cosmic Rays, but most stations can also provide high-resolution measurements at 1-minute cadence. Measurements of one station provide information about the cosmic ray intensity over time at this location. By correcting the measurement for changes in atmospheric pressure, the intensity of the incoming radiation at the top of the atmosphere can be determined. Studying this time series gives information about long-term changes in the heliospheric environment (11 and 22 year solar cycles), as well as information on shorter (Forbush decrease, Fd) and impulsive (Ground Level Enhancement, GLE) events. Since the measurement of a NM is a cumulative measurement a single station can provide only limited information on the spectrum of the incoming radiation. The whole network of Neutron Monitors, however, can act as a large spectrometer. By combining the measurements of many NM stations, the direction and the spectrum of the incoming radiation can be modeled. With this method, high energy solar particle events (that lead to GLEs) and the precursors of Coronal Mass Ejections (CME, manifesting as a Fd) can be detected by the ground-based instruments before the lower energy particles can harm satellites or astronauts. These ALERT systems require the availability of NM data in real-time, which wass one of the goals of the NMDB project. The easy to use NEST interface (nest.nmdb.eu) to NMDB data allows everyone to plot and download data for all participating stations. Since the project started, not only space agencies and ALERT systems make use of the data, but NMDB has attracted several users outside the cosmic ray community. This data is now also used for example as reference value for soil humidity measurements with cosmic rays, or by the DHS for radiation monitors at border crossings, as well as for

  2. Coupled multi-group neutron photon transport for the simulation of high-resolution gamma-ray spectroscopy applications

    Energy Technology Data Exchange (ETDEWEB)

    Burns, Kimberly A. [Georgia Inst. of Technology, Atlanta, GA (United States)

    2009-08-01

    The accurate and efficient simulation of coupled neutron-photon problems is necessary for several important radiation detection applications. Examples include the detection of nuclear threats concealed in cargo containers and prompt gamma neutron activation analysis for nondestructive determination of elemental composition of unknown samples.

  3. Neutron diffraction characterization of Japanese artworks of Tokugawa age.

    Science.gov (United States)

    Grazzi, F; Bartoli, L; Civita, F; Zoppi, M

    2009-12-01

    Neutron time-of-flight diffraction technique has been used to characterize some Japanese historical artifacts. With this method, metal samples can be analyzed in their bulk properties without need of sampling. Results shown here were obtained at the Italian Neutron Experimental Station (INES@ISIS) located at the pulsed neutron source ISIS (UK). The parallel use of a scanning electron microscope equipped with an energy-dispersive X-ray fluorescence device (SEM-EDX) permitted a full quantitative characterization of the investigated samples, namely four hand-guards (Tsubas) of Japanese swords attributed to the Tokugawa age. In particular, we were able to obtain, in a totally non-invasive non-destructive way, a full quantitative phase characterization of the samples, a detailed Bragg peak broadening analysis, and a quantitative texture determination. These results, complemented with those obtained via the traditional analysis method of SEM-EDX, allowed a full characterization of both the bulk and the surface of the artifacts.

  4. Magnetostructural transition in Fe5SiB2 observed with neutron diffraction

    Czech Academy of Sciences Publication Activity Database

    Cedervall, J.; Kontos, S.; Hansen, T. C.; Balmes, O.; Martinez-Casado, F. J.; Matěj, Z.; Beran, Přemysl; Svedlindh, P.; Gunnarsson, K.; Sahlberg, M.

    2016-01-01

    Roč. 235, MAR (2016), s. 113-118 ISSN 0022-4596 Institutional support: RVO:61389005 Keywords : magnetism * X-ray diffraction * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.299, year: 2016

  5. Structure of naturally hydrated ferrihydrite revealed through neutron diffraction and first-principles modeling

    Science.gov (United States)

    Chappell, Helen F.; Thom, William; Bowron, Daniel T.; Faria, Nuno; Hasnip, Philip J.; Powell, Jonathan J.

    2017-08-01

    Ferrihydrite, with a ``two-line'' x-ray diffraction pattern (2L-Fh), is the most amorphous of the iron oxides and is ubiquitous in both terrestrial and aquatic environments. It also plays a central role in the regulation and metabolism of iron in bacteria, algae, higher plants, and animals, including humans. In this study, we present a single-phase model for ferrihydrite that unifies existing analytical data while adhering to fundamental chemical principles. The primary particle is small (20-50 Å) and has a dynamic and variably hydrated surface, which negates long-range order; collectively, these features have hampered complete characterization and frustrated our understanding of the mineral's reactivity and chemical/biochemical function. Near and intermediate range neutron diffraction (NIMROD) and first-principles density functional theory (DFT) were employed in this study to generate and interpret high-resolution data of naturally hydrated, synthetic 2L-Fh at standard temperature. The structural optimization overcomes transgressions of coordination chemistry inherent within previously proposed structures, to produce a robust and unambiguous single-phase model.

  6. Neutron diffraction studies of amphipathic helices in phospholipid bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Bradshaw, J.P.; Gilchrist, P.J. [Univ. of Edinburgh (United Kingdom); Duff, K.C. [Univ. of Edinburgh Medical School (United Kingdom); Saxena, A.M. [Brookhaven National Laboratory, Upton, NY (United States)

    1994-12-31

    The structural feature which is thought to facilitate the interaction of many peptides with phospholipid bilayers is the ability to fold into an amphipathic helix. In most cases the exact location and orientation of this helix with respect to the membrane is not known, and may vary with factors such as pH and phospholipid content of the bilayer. The growing interest in this area is stimulated by indications that similar interactions can contribute to the binding of certain hormones to their cell-surface receptors. We have been using the techniques of neutron diffraction from stacked phospholipid bilayers in an attempt to investigate this phenomenon with a number of membrane-active peptides. Here we report some of our findings with three of these: the bee venom melittin; the hormone calcitonin; and a synthetic peptide representing the ion channel fragment of influenza A M2 protein.

  7. EXILL - a high-efficiency, high-resolution setup for gamma-spectroscopy at an intense cold neutron beam facility

    Czech Academy of Sciences Publication Activity Database

    Jentschel, M.; Blanc, A.; de France, G.; Koster, U.; Leoni, S.; Mutti, P.; Simpson, G. S.; Krtička, M.; Tomandl, Ivo; Valenta, S.

    2017-01-01

    Roč. 12, č. 11 (2017), č. článku P11003. ISSN 1748-0221 Institutional support: RVO:61389005 Keywords : instrumentation for neutron sources * gamma detectors * spectrometers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.220, year: 2016

  8. Principles of the measurement of residual stress by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Webster, G.A.; Ezeilo, A.N. [Imperial Coll. of Science and Technology, London (United Kingdom). Dept. of Mechanical Engineering

    1996-11-01

    The presence of residual stresses in engineering components can significantly affect their load carrying capacity and resistance to fracture. In order to quantify their effect it is necessary to know their magnitude and distribution. Neutron diffraction is the most suitable method of obtaining these stresses non-destructively in the interior of components. In this paper the principles of the technique are described. A monochromatic beam of neutrons, or time of flight measurements, can be employed. In each case, components of strain are determined directly from changes in the lattice spacings between crystals. Residual stresses can then be calculated from these strains. The experimental procedures for making the measurements are described and precautions for achieving reliable results discussed. These include choice of crystal planes on which to make measurements, extent of masking needed to identify a suitable sampling volume, type of detector and alignment procedure. Methods of achieving a stress free reference are also considered. A selection of practical examples is included to demonstrate the success of the technique. (author) 14 figs., 1 tab., 18 refs.

  9. Neutrons in studies of phospholipid bilayers and bilayer–drug interaction. I. Basic principles and neutron diffraction

    Directory of Open Access Journals (Sweden)

    Belička M.

    2014-12-01

    Full Text Available In our paper, we demonstrate several possibilities of using neutrons in pharmaceutical research with the help of examples of scientific results achieved at our University. In this first part, basic properties of neutrons and elementary principles of elastic scattering of thermal neutrons are described. Results of contrast variation neutron diffraction on oriented phospholipid bilayers with intercalated local anaesthetic or cholesterol demonstrate the potential of this method at determination of their position in bilayers. Diffraction experiments with alkan-1-ols located in the bilayers revealed their influence on bilayer thickness as a function of their alkyl chain length.

  10. 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.

  11. Mapping residual and internal stress in materials by neutron diffraction

    Science.gov (United States)

    Withers, Philip J.

    2007-09-01

    Neutron diffraction provides one of the few means of mapping residual stresses deep within the bulk of materials and components. This article reviews the basic scientific methodology by which internal strains and stresses are inferred from recorded diffraction peaks. Both conventional angular scans and time-of-flight measurements are reviewed and compared. Their complementarity with analogous synchrotron X-ray methods is also highlighted. For measurements to be exploited in structural integrity calculations underpinning the safe operation of engineering components, measurement standards have been defined and the major findings are summarised. Examples are used to highlight the unique capabilities of the method showing how it can provide insights ranging from the basic physics of slip mechanisms in hexagonal polycrystalline materials, through the materials optimisation of stress induced transformations in smart nanomaterials, to the industrial introduction of novel friction welding processes exploiting stress residual measurements transferred from prototype sub-scale tests to the joining of full-scale aeroengine assemblies. To cite this article: P.J. Withers, C. R. Physique 8 (2007).

  12. 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.

  13. 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.

  14. Experiment LEND of the NASA Lunar Reconnaissance Orbiter for high-resolution mapping of neutron emission of the Moon.

    Science.gov (United States)

    Mitrofanov, I G; Sanin, A B; Golovin, D V; Litvak, M L; Konovalov, A A; Kozyrev, A S; Malakhov, A V; Mokrousov, M I; Tretyakov, V I; Troshin, V S; Uvarov, V N; Varenikov, A B; Vostrukhin, A A; Shevchenko, V V; Shvetsov, V N; Krylov, A R; Timoshenko, G N; Bobrovnitsky, Y I; Tomilina, T M; Grebennikov, A S; Kazakov, L L; Sagdeev, R Z; Milikh, G N; Bartels, A; Chin, G; Floyd, S; Garvin, J; Keller, J; McClanahan, T; Trombka, J; Boynton, W; Harshman, K; Starr, R; Evans, L

    2008-08-01

    The scientific objectives of neutron mapping of the Moon are presented as 3 investigation tasks of NASA's Lunar Reconnaissance Orbiter mission. Two tasks focus on mapping hydrogen content over the entire Moon and on testing the presence of water-ice deposits at the bottom of permanently shadowed craters at the lunar poles. The third task corresponds to the determination of neutron contribution to the total radiation dose at an altitude of 50 km above the Moon. We show that the Lunar Exploration Neutron Detector (LEND) will be capable of carrying out all 3 investigations. The design concept of LEND is presented together with results of numerical simulations of the instrument's sensitivity for hydrogen detection. The sensitivity of LEND is shown to be characterized by a hydrogen detection limit of about 100 ppm for a polar reference area with a radius of 5 km. If the presence of ice deposits in polar "cold traps" is confirmed, a unique record of many millions of years of lunar history would be obtained, by which the history of lunar impacts could be discerned from the layers of water ice and dust. Future applications of a LEND-type instrument for Mars orbital observations are also discussed.

  15. Nuclear structure of neutron-deficient Au and Pt isotopes from high-resolution laser spectroscopy at ISOLDE

    Energy Technology Data Exchange (ETDEWEB)

    Sauvage, J. [Institut de Physique Nucleaire, Orsay (France); Cabaret, L. [Lab. Aime Cotton, Orsay (France); Crawford, J. [Foster Radiation Laboratory, McGill University, Montreal (Canada)] [and others; ISOLDE Collaboration

    1999-05-01

    Atomic spectroscopy measurements were carried out using the COMPLIS setup installed at the ISOLDE-BOOSTER facility. Hyperfine structure (HFS) spectra and isotope shift (IS) values were obtained for the neutron-deficient {sup 178-185}Pt and for {sup 184}Au{sup gm}, providing deformation parameters {beta}, magnetic moments {mu} and spectroscopic quadrupole moments (for I {>=} 1) Q{sub s}. In Pt isotopes, a deformation drop for A = 178 and an inverted odd-even staggering for the charge radius around the neutron mid-shell N=104, have been observed very clearly. Furthermore, deformation changes {delta}{beta} between isomeric and ground states for {sup 183,185}Pt and {sup 184}Au have been put forward. Thus, the influence of the proton-neutron coupling on the {delta}{beta} value in {sup 184}Au relatively to that in its isotope {sup 183}Pt has been determined. Besides, the h{sub 9/2} proton state that is decoupled from the core in {sup 183,185}Au, becomes the 3/2 [532] state strongly coupled in {sup 184}Au. The spin and parity values I{sup {pi}} = 3{sup +} have been assigned to the {sup 182}Ir ground state from internal conversion electron measurements to prepare atomic spectroscopy studies in the Ir isotopic series. (author) 37 refs, 8 figs, 4 tabs

  16. Three-port beam splitter for slow neutrons using holographic nanoparticle-polymer composite diffraction gratings

    Energy Technology Data Exchange (ETDEWEB)

    Klepp, J.; Fally, M. [Faculty of Physics, University of Vienna, 1090 Wien (Austria); Tomita, Y. [Department of Engineering Science, University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo 182 (Japan); Pruner, C. [Department of Materials Science and Physics, University of Salzburg, 5020 Salzburg (Austria); Kohlbrecher, J. [Laboratory for Neutron Scattering, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland)

    2012-10-08

    Diffraction of slow neutrons by nanoparticle-polymer composite gratings has been observed. By carefully choosing grating parameters such as grating thickness and spacing, a three-port beam splitter operation for slow neutrons - splitting the incident neutron intensity equally into the {+-}1st and the 0th diffraction orders - has been realized. As a possible application, a Zernike three-path interferometer is briefly discussed.

  17. Neutron diffraction study of quasi-one-dimensional spin-chain ...

    Indian Academy of Sciences (India)

    Abstract. We report the results of the DC magnetization, neutron powder diffraction and neutron depolarization studies on the spin-chain compounds Ca3Co2−xFexO6 (x = 0,. 0.1, 0.2 and 0.4). Rietveld refinement of neutron powder diffraction patterns at room temperature confirms the single-phase formation for all the ...

  18. High resolution measurement of neutron inelastic scattering and (n,2n) cross-sections for {sup 52}Cr

    Energy Technology Data Exchange (ETDEWEB)

    Mihailescu, L.C. [European Commission, Joint Research Centre, Institute for Reference Materials and Measurements, B-2440 Geel (Belgium); ' Horia Hulubei' National Institute for Physics and Nuclear Engineering, P.O. Box MG-6, 76900 Bucharest (Romania); Borcea, C. [European Commission, Joint Research Centre, Institute for Reference Materials and Measurements, B-2440 Geel (Belgium); ' Horia Hulubei' National Institute for Physics and Nuclear Engineering, P.O. Box MG-6, 76900 Bucharest (Romania); Koning, A.J. [Nuclear Research Group Petten, Westerduinweg 3, 1755 ZG Petten (Netherlands); Plompen, A.J.M. [European Commission, Joint Research Centre, Institute for Reference Materials and Measurements, B-2440 Geel (Belgium)]. E-mail: arjan.plompen@ec.europa.eu

    2007-04-15

    Cross-sections were measured for gammas produced by neutron inelastic scattering and (n,2n) reactions on {sup 52}Cr using the white neutron spectrum of GELINA with the time-of-flight technique at the 200 m flight-path station. The full energy range, from the inelastic threshold up to 18 MeV was covered in one experiment with an unprecedented neutron energy resolution of 1.1 keV at 1 MeV and 35 keV at 10 MeV. The gamma rays were detected with large volume HPGe detectors. The flux was determined with a {sup 235}U fission chamber based on the {sup 235}U(n,F) standard cross-section. A Cr{sub 2}O{sub 3} sample was used with a {sup 52}Cr/Cr concentration of 99.85% wt. Inelastic gamma production cross-sections were measured for 12 transitions, at least one transition from each level up to an excitation energy of 3.77 MeV. Based on the adopted level scheme of {sup 52}Cr, the total inelastic and the level cross-sections were constructed. A total uncertainty smaller than 5% was obtained for the total inelastic cross-section up to 10 MeV. The (n,2n) gamma production cross-section was measured for the 749.06 keV and 1164.4 keV transitions from {sup 51}Cr. Results are compared with earlier experimental works and model calculations performed with the TALYS code. Calculations with the default parameters of TALYS show in general rather good agreement with the present data.

  19. In operando visualization of hydride-graphite composites during cyclic hydrogenation by high-resolution neutron imaging

    Science.gov (United States)

    Pohlmann, Carsten; Herbrig, Kai; Gondek, Łukasz; Kardjilov, Nikolay; Hilger, André; Figiel, Henryk; Banhart, John; Kieback, Bernd; Manke, Ingo; Röntzsch, Lars

    2015-03-01

    Hydrogen solid-state storage in metal hydrides has attracted remarkable attention within the past decades due to their high volumetric storage densities at low operating pressures. In particular, recently emerged hydride-graphite composites (HGC) can enable a safe, reliable and very compact hydrogen storage solution for various applications. In this regard, only little is known about the activation behavior of such HGC, their cycle stability and degradation effects. Because of the high sensitivity to hydrogen, neutron imaging offers a distinctive approach to examine in operando reaction fronts, swelling effects and microstructural changes of hydrogen absorbing materials with high spatial and temporal resolution. In this contribution, a comprehensive analysis of various phenomena during activation and cycling of HGC based on a Ti-Mn hydrogen absorbing alloy and expanded natural graphite is reported for the first time. A neutron radiography and tomography set-up with a spatial resolution down to 7 μm was utilized allowing highest detection precision. During initial hydrogenation, regions with enhanced reactivity are observed which contradicts a theoretically expected homogeneous reactivity inside the HGC. These active regions grow with the number of hydrogenation-dehydrogenation cycles until the whole HGC volume uniformly participates in the hydrogen sorption reaction. With regard to long-term hydrogenation-dehydrogenation cycling, inhomogeneous swelling effects were observed from which essential conclusions for technical HGC-based tank systems can be derived.

  20. 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

  1. Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Criswell, L.; Fuhrmann, D

    2004-01-01

    Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence that these rel......Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence...... that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers....

  2. 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.

  3. High resolution measurement of neutron inelastic scattering and (n,2n) cross-sections for {sup 209}Bi

    Energy Technology Data Exchange (ETDEWEB)

    Mihailescu, L.C.; Borcea, C. [European Commission, Joint Research Center, Institute for Reference Materials and Measurements, B-2440 Geel (Belgium); ' Horia Hulubei' National Institute for Physics and Nuclear Engineering, PO Box MG-6, 76900 Bucharest (Romania); Koning, A.J. [Nuclear Research Group Petten, Westerduinweg 3, 1755 ZG Petten (Netherlands); Pavlik, A. [Faculty of Physics, University of Vienna, Waehringer Strasse 17, 1090 Vienna (Austria); Plompen, A.J.M. [European Commission, Joint Research Center, Institute for Reference Materials and Measurements, B-2440 Geel (Belgium)], E-mail: arjan.plompen@ec.europa.eu

    2008-02-01

    Gamma production cross-sections were measured for the neutron inelastic scattering and (n,2n{gamma}) reactions on {sup 209}Bi using the white neutron spectrum of GELINA with the time-of-flight technique at the 200 m flight-path station. The full energy range, from the inelastic threshold up to 20 MeV was covered in one experiment with an unprecedented energy resolution of 1.1 keV at 1 MeV and 35 keV at 10 MeV. The gamma-rays were detected with large volume HPGe detectors. The flux was determined with a {sup 235}U fission chamber based on the {sup 235}U(n,f) standard cross-section. A metallic Bi sample was used. Inelastic gamma production cross-sections were measured for 39 transitions up to an excitation energy of 3.8 MeV. Based on the adopted level scheme of {sup 209}Bi, the total inelastic and the level cross-sections were constructed. A total uncertainty smaller than 5% was obtained for the total inelastic cross-section up to 10 MeV. The (n,2n) gamma production cross-section was measured for the 8 transitions from {sup 208}Bi nucleus up to 1.09 MeV excitation energy. The results are compared with earlier experimental works and with model calculations performed with the TALYS code, version 0.72. Calculations with the TALYS model code show good agreement with the deduced total inelastic cross-section in the entire incident energy range and for deduced level cross-sections below 3 MeV. Discrepancies between calculation and experiment that occur for gamma production cross-sections above 3 MeV are discussed.

  4. Time-of-flight 3D Neutron Diffraction for Multigrain Crystallography

    DEFF Research Database (Denmark)

    Cereser, Alberto

    This thesis presents a new technique for measuring spatially resolved microstructures in crystalline materials using pulsed neutron beams. The method, called Time-of-Flight Three Dimensional Neutron Diffraction (ToF 3DND), identifies the position, shape and crystallographic orientation of the ind......This thesis presents a new technique for measuring spatially resolved microstructures in crystalline materials using pulsed neutron beams. The method, called Time-of-Flight Three Dimensional Neutron Diffraction (ToF 3DND), identifies the position, shape and crystallographic orientation...

  5. Refractive and diffractive neutron optics with reduced chromatic aberration

    DEFF Research Database (Denmark)

    Poulsen, Stefan Othmar; Poulsen, Henning Friis; Bentley, P.M.

    2014-01-01

    Thermal neutron beams are an indispensable tool in physics research. The spatial and the temporal resolution attainable in experiments are dependent on the flux and collimation of the neutron beam which remain relatively poor, even for modern neutron sources. These difficulties may be mitigated...

  6. High-resolution electron microscopy studies of the precipitation of copper under neutron irradiation in an Fe-1.3WT % Cu alloy.

    Energy Technology Data Exchange (ETDEWEB)

    Nicol, A. C.

    1998-12-21

    We have studied by electron microscopy the copper-rich precipitates in an Fe-1.3wt%Cu model alloy irradiated with neutrons to doses of 8.61 x 10{sup {minus}3} dpa and 6.3 x 10{sup {minus}2} dpa at a temperature of {approximately}270 C. In the lower dose material a majority (ca. 60%)of the precipitates visible in high-resolution electron microscopy were timed 9R precipitates of size {approximately}2-4 nm, while ca. 40% were untwinned. In the higher dose material, a majority (ca. 75%) of visible precipitates were untwinned although many still seemed to have a 9R structure. The average angle {alpha} between the herring-bone fringes in the twin variants was measured as 125{degree}, not the 129{degree} characteristic of precipitates in thermally-aged and electron-irradiated material immediately after the bcc{r_arrow}9R martensitic transformation. We argue that these results imply that the bcc{r_arrow}9R transformation of small (<4 nm) precipitates under neutron irradiation takes place at the irradiation temperature of 270 C rather than after subsequent cooling. Preliminary measurements showed that precipitate sizes did not depend strongly on dose, with a mean diameter of 3.4 {+-} 0.7 nm for the lower dose material, and 3.0 {+-} 0.5 nm for the higher dose material. This result agrees with the previous assumption that the lack of coarsening in precipitates formed under neutron irradiation is a consequence of the partial dissolution of larger precipitates by high-energy cascades.

  7. High-resolution measurements of the DT neutron spectrum using new CD foils in the Magnetic Recoil neutron Spectrometer (MRS) on the National Ignition Facility

    Energy Technology Data Exchange (ETDEWEB)

    Gatu Johnson, M., E-mail: gatu@psfc.mit.edu; Frenje, J. A.; Li, C. K.; Petrasso, R. D.; Séguin, F. H. [Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Bionta, R. M.; Casey, D. T.; Eckart, M. J.; Grim, G. P.; Hartouni, E. P.; Hatarik, R.; Sayre, D. B.; Skulina, K.; Yeamans, C. B. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Farrell, M. P.; Hoppe, M.; Kilkenny, J. D.; Reynolds, H. G.; Schoff, M. E. [General Atomics, San Diego, California 92186 (United States)

    2016-11-15

    The Magnetic Recoil neutron Spectrometer (MRS) on the National Ignition Facility measures the DT neutron spectrum from cryogenically layered inertial confinement fusion implosions. Yield, areal density, apparent ion temperature, and directional fluid flow are inferred from the MRS data. This paper describes recent advances in MRS measurements of the primary peak using new, thinner, reduced-area deuterated plastic (CD) conversion foils. The new foils allow operation of MRS at yields 2 orders of magnitude higher than previously possible, at a resolution down to ∼200 keV FWHM.

  8. Neutron scattering and diffraction instrument for structural study on biology in Japan

    Energy Technology Data Exchange (ETDEWEB)

    Niimura, Nobuo [Japan Atomic Energy Research Inst., Ibaraki-ken (Japan)

    1994-12-31

    Neutron scattering and diffraction instruments in Japan which can be used for structural studies in biology are briefly introduced. Main specifications and general layouts of the instruments are shown.

  9. Study on Destructuring effect of trehalose on water by neutron diffraction

    CERN Document Server

    Branca, C; Migliardo, F; Magazù, V; Soper, A K

    2002-01-01

    In this work results on trehalose/water solutions by neutron diffraction are reported. The study of the partial structure factors and spatial distribution functions gives evidence of a decreasing tetrahedrality degree of water and justifies its cryoprotectant effectiveness. (orig.)

  10. 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.

  11. Scientific Advancements and Technological Developments of High P-T Neutron Diffraction at LANSCE, Los Alamos

    Science.gov (United States)

    Zhao, Y.; Daemen, L. L.; Zhang, J.

    2003-12-01

    In-situ high P-T neutron diffraction experiments provide unique opportunities to study the crystal structure, hydrogen bonding, magnetism, and thermal parameters of light elements (eg. H, Li, B) and heavy elements (eg. Ta, U, Pu,), that are virtually impossible to determine with x-ray diffraction techniques. For example, thermoelasticity and Debye-Waller factor as function of pressure and temperature can be derived using in-situ high P-T neutron diffraction techniques. These applications can also be extended to a much broader spectrum of scientific problems. For instance, puzzles in Earth science such as the carbon cycle and the role of hydrous minerals for water exchange between lithosphere and biosphere can be directly addressed. Moreover, by introducing in-situ shear, texture of metals and minerals accompanied with phase transitions at high P-T conditions can also be studied by high P-T neutron diffraction. We have successfully conducted high P-T neutron diffraction experiments at LANSCE and achieved simultaneous high pressures and temperatures of 10 GPa and 1500 K. With an average 3-6 hours of data collection, the diffraction data are of sufficiently high quality for the determination of structural parameters and thermal vibrations. We have studied hydrous mineral (MgOD), perovskite (K.15,Na.85)MgF3, clathrate hydrates (CH4-, CO2-, and H2-), metals (Mo, Al, Zr), and amorphous materials (carbon black, BMG). The aim of our research is to accurately map bond lengths, bond angles, neighboring atomic environments, and phase stability in P-T-X space. Studies based on high-pressure neutron diffraction are important for multi-disciplinary science and we welcome researchers from all fields to use this advanced technique. We have developed a 500-ton toroidal press, TAP-98, to conduct simultaneous high P-T neutron diffraction experiments inside of HIPPO (High-Pressure and Preferred-Orientation diffractometer). We have also developed a large gem-crystal anvil cell, ZAP-01

  12. Longe-Range Order in beta-Brass Studied by Neutron Diffraction

    DEFF Research Database (Denmark)

    Rathmann, Ole; Als-Nielsen, Jens Aage

    1974-01-01

    The long-range order, M(T), in β-brass has been measured by neutron diffraction from a small extinction-free crystal. The results agree with those obtained recently by x-ray diffraction. Near Tc our data are in accordance with a power law M(T)=D(1-T/Tc)β with the critical exponent β=0...

  13. Work hardening mechanism in high nitrogen austenitic steel studied by in situ neutron diffraction and in situ electron backscattering diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Ojima, M., E-mail: 07nd602g@hcs.ibaraki.ac.jp [Graduate School of Science and Engineering, Ibaraki University, Nakanarusawa, 316-8511 Hitachi, Ibaraki (Japan); Adachi, Y. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305-0047 (Japan); Tomota, Y. [Graduate School of Science and Engineering, Ibaraki University, Nakanarusawa, 316-8511 Hitachi, Ibaraki (Japan); Ikeda, K. [Sumitomo Metal Industries, Ltd., Hikari, Kashima, Ibaraki 314-0014 (Japan); Kamiyama, T. [Institute of Material Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Katada, Y. [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba 305-0047 (Japan)

    2009-12-15

    With a focus on microstructural hierarchy, work hardening behaviour in high nitrogen-bearing austenitic steel (HNS) was investigated mainly by a combined technique of in situ neutron diffraction and in situ electron backscattering diffraction (EBSD). Stress partitioning due to difference in deformability among grains is enhanced in HNS. The larger stress partitioning among [h k l]-oriented family grains seems to realize high work hardening at a small strain. At a larger strain, dislocation density is higher in HNS than in low nitrogen austenitic steel (LNS), which is a possible reason for high work hardening after straining proceeds, resulting in large uniform elongation.

  14. The use of pulsed neutron diffraction to measure strain in composites

    Energy Technology Data Exchange (ETDEWEB)

    Bourke, M.A.M.; Goldstone, J.A.; Shi, N.; Gray, G.T. III [Los Alamos National Lab., NM (United States); James, M.R. [Rockwell Intl., Thousand Oaks, CA (United States). Science Center; Todd, R.I. [Oxford Univ. (United Kingdom)

    1994-03-01

    Neutron diffraction is a technique for measuring strain in crystalline materials. It is non destructive, phase discriminatory and more penetrating than X rays. Pulsed neutron sources (in contrast with steady state reactor sources) are particularly appropriate for examining heterogeneous materials or for recording the polycrystalline response of all lattice reflections. Several different aspects of composite behavior can be characterized and examples are given of residual strain measurements, strain relaxation during heating, applied loading, and determination of the strain distribution function.

  15. In situ neutron diffraction study of the nickel oxihydroxide electrode upon discharge

    Energy Technology Data Exchange (ETDEWEB)

    Barde, F.; Palacin, M.R.; Chabre, Y.; Isnard, O.; Tarascon, J.-M

    2004-07-15

    The redox discharge process of the nickel oxihydroxide electrode (NOE) were followed by in situ neutron diffraction with the aim of getting a deeper insight into the phases and mechanisms involved, paying special attention to the second plateau. A set of deuterated samples was prepared to be used as a reference for the interpretation of the in situ patterns. Neutron diffraction experiments indicate that redox process is the same over both the first and second plateaus and corresponds to a phase transformation over the main part of the oxidation/reduction range and hence indicates that this phenomenon should not be associated to a structural transformation.

  16. Work Hardening, Dislocation Structure, and Load Partitioning in Lath Martensite Determined by In Situ Neutron Diffraction Line Profile Analysis

    Science.gov (United States)

    Harjo, Stefanus; Kawasaki, Takuro; Tomota, Yo; Gong, Wu; Aizawa, Kazuya; Tichy, Geza; Shi, Zengmin; Ungár, Tamas

    2017-09-01

    A lath martensite steel containing 0.22 mass pct carbon was analyzed in situ during tensile deformation by high-resolution time-of-flight neutron diffraction to clarify the large work-hardening behavior at the beginning of plastic deformation. The diffraction peaks in plastically deformed states exhibit asymmetries as the reflection of redistributions of the stress and dislocation densities/arrangements in two lath packets: soft packet, where the dislocation glides are favorable, and hard packet, where they are unfavorable. The dislocation density was as high as 1015 m-2 in the as-heat-treated state. During tensile straining, the load and dislocation density became different between the two lath packets. The dislocation character and arrangement varied in the hard packet but hardly changed in the soft packet. In the hard packet, dislocations that were mainly screw-type in the as-heat-treated state became primarily edge-type and rearranged towards a dipole character related to constructing cell walls. The hard packet played an important role in the work hardening in martensite, which could be understood by considering the increase in dislocation density along with the change in dislocation arrangement.

  17. 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.

  18. Real Structure and Resudal Stresses in Advanced Welds Determined by X-ray and Neutron Diffraction

    Czech Academy of Sciences Publication Activity Database

    Trojan, K.; Hervoches, Charles; Ganev, N.; Mikula, Pavol; Čapek, J.

    2017-01-01

    Roč. 9, SEP (2017), s. 32-38 E-ISSN 2336-5382 R&D Projects: GA MŠk LM2015056; GA ČR GB14-36566G Institutional support: RVO:61389005 Keywords : laser and MAG welding * residual stresses * X-ray diffraction * neutron diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism https://ojs.cvut.cz/ojs/index.php/APP/article/view/4401/4298

  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. X-Ray and Neutron Diffraction Measurements of Dislocation Density and Subgrain Size in a Friction-Stir-Welded Aluminum Alloy

    Science.gov (United States)

    Woo, Wanchuck; Ungár, Tamás; Feng, Zhili; Kenik, Edward; Clausen, Bjørn

    2010-05-01

    The dislocation density and subgrain size were determined in the base material and friction-stir welds of 6061-T6 aluminum alloy. High-resolution X-ray diffraction measurement was performed in the base material. The result of the line profile analysis of the X-ray diffraction peak shows that the dislocation density is about 4.5 × 1014 m-2 and the subgrain size is about 200 nm. Meanwhile, neutron diffraction measurements have been performed to observe the diffraction peaks during friction-stir welding (FSW). The deep penetration capability of the neutron enables us to measure the peaks from the midplane of the Al plate underneath the tool shoulder of the friction-stir welds. The peak broadening analysis result using the Williamson-Hall method shows the dislocation density of about 3.2 × 1015 m-2 and subgrain size of about 160 nm. The significant increase of the dislocation density is likely due to the severe plastic deformation during FSW. This study provides an insight into understanding the transient behavior of the microstructure under severe thermomechanical deformation.

  1. 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.

  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. 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

  4. Neutron diffraction study of the magnetic structure of HoCu2

    DEFF Research Database (Denmark)

    Smetana, Z.; Sima, V.; Lebech, Bente

    1986-01-01

    Neutron diffraction measurements show that in the temperature range from 7.4 to TN=10.4 K the magnetic structure of HoCu2 is a commensurably modulated a-axis collinear structure with a wave vector q1=1/3a*. Below 7.4 K an additional structure component develops and the low temperature magnetic...

  5. Neutron diffraction investigation of liquid alkali metal-gallium alloys. Giant cluster formation?

    NARCIS (Netherlands)

    Alvarez, M; Lomba, E; Verkerk, P; van der Aart, SA; Bionducci, M; Mirebeau, [No Value; van der Lugt, W

    Neutron diffraction experiments were performed on the liquid alloys NaGa, NaGa3, KGa3 and CsGa3. The structure factors of KGa3 and CsGa3 display prepeaks at small wavenumbers (0.64 and 0.61 (A) over circle -1, respectively). This may indicate the existence of extremely large aggregates of atoms in

  6. Neutron diffraction studies of the magnetic structures of TbRu2Si2

    DEFF Research Database (Denmark)

    Kawano, S.; Lebech, B.; Shigeoka, T.

    2000-01-01

    We have confirmed by neutron diffraction that the high-temperature phase of TbRu2Si2 exhibits a magnetic one-dimensional modulation with Q=(3/13 0 0), while for the intermediate phase the modulation becomes two-dimensional with many satellites. At low-temperature the magnetic structure changes...

  7. Neutron diffraction studies of Ho1-xYxNi2B2C compounds

    DEFF Research Database (Denmark)

    Chang, L.J.; Tomy, C.V.; Paul, D.M.K.

    1996-01-01

    Neutron diffraction measurements have been carried out to investigate the nature of magnetic ordering in Ho(1-x)Y(x)Ni(2)B(2)C (x = 0, 0.1 and 0.2) compounds. HoNi(2)B(2)C shows a complex type of magnetic ordering below the superconducting transition, with a commensurate antiferromagnetic ordering...

  8. Neutron Diffraction Studies of Dilute Cr-Re Single Crystal Alloys

    DEFF Research Database (Denmark)

    Lebech, Bente; Mikke, K.

    1972-01-01

    Neutron diffraction studies have been performed on five Cr-Re single crystal alloys with a Re content from 0 to 0·8 at. %. It was found that the wave vector of the sinusoidally modulated spin arrangement increases uniformly with temperature and concentration until a critical value of about 0·97. (2...

  9. Neutron diffraction from the vortex lattice in the heavy-fermion superconductor UPt3

    DEFF Research Database (Denmark)

    Kleiman, R.N.; Broholm, C.; Aeppli, G.

    1992-01-01

    We have used neutron diffraction to observe the vortex lattice of UPt3. This is the first such measurement in a heavy-fermion system, a superconductor below 1 K, or in a system with such a long magnetic penetration depth (6000 +/- 75 angstrom). It also provides the first value for the pair...

  10. A single crystal neutron diffraction study on mixed crystal (K)0.25 ...

    Indian Academy of Sciences (India)

    2018-02-02

    Feb 2, 2018 ... https://doi.org/10.1007/s12034-017-1514-x. A single crystal neutron diffraction study on mixed crystal. (K)0.25(NH4)0.75H2PO4: tuning of short strong hydrogen bonds by ionic interactions. RAJUL RANJAN CHOUDHURY. ∗ and R CHITRA. Solid State Physics Division, Bhabha Atomic Research Center, ...

  11. Recrystallization kinetics in copper investigated by in situ texture measurements by neutron diffraction

    DEFF Research Database (Denmark)

    Leffers, Torben; Hansen, Niels; Kjems, Jørgen

    1981-01-01

    The potential of neutron-diffraction texture measurement as a tool for accurate investigations of recrystallization kinetics is demonstrated by the application of the method to the recrystallization of heavily rolled copper (99.98% purity). The present investigation demonstrates that this technique...

  12. Experimental evaluation of a polycrystal deformation modeling scheme using neutron diffraction measurements

    DEFF Research Database (Denmark)

    Clausen, Bjørn; Lorentzen, Torben

    1997-01-01

    The uniaxial behavior of aluminum polycrystals is simulated using a rate-independent incremental self-consistent elastic-plastic polycrystal deformation model, and the results are evaluated by neutron diffraction measurements. The elastic strains deduced from the model show good agreement with th...

  13. Optimization of spring exchange coupled ferrites, studied by in situ neutron diffraction

    DEFF Research Database (Denmark)

    Ahlburg, Jakob; Christensen, Mogens; Granados-Miralles, Cecilia

    ) is reduced to a metallic alloy CoFe (soft magnet) by heating the sample and flowing it with hydrogen gas. It is studied in situ using neutron powder diffraction with a time resolution of 12 min. The transition from spinel to pure metal goes through an intermediate step of a metal oxide before being fully...... reduced. These metal oxides are antiferromagnetically ordered an is therefore considered a parasitic phase. However by fine-tuning the reaction temperature and hydrogen flow rate the occurrence of the phase can be minimized. In order to distinguish between Co and Fe Neutrons are chosen. Since neutrons...... have a spin it will also be possible to measure a magnetic signal and investigate the exchange-coupling. After the reduction the samples was furthermore investigated using powder x-ray diffraction and VSM (vibrating sample magnetometer). To understand the reaction mechanism, a series of experiments...

  14. Neutron diffraction and gravimetric study of the iron nitriding reaction under ammonia decomposition conditions.

    Science.gov (United States)

    Wood, Thomas J; Makepeace, Joshua W; David, William I F

    2017-10-18

    Ammonia decomposition over iron catalysts is known to be affected by whether the iron exists in elemental form or as a nitride. In situ neutron diffraction studies with simultaneous gravimetric analysis were performed on the nitriding and denitriding reactions of iron under ammonia decomposition conditions. The gravimetric analysis agrees well with the Rietveld analysis of the neutron diffraction data, both of which confirm that the form of the iron catalyst is strongly dependent on ammonia decomposition conditions. Use of ammonia with natural isotopic abundance as the nitriding agent means that the incoherent neutron scattering of any hydrogen within the gases present is able to be correlated to how much ammonia had decomposed. This novel analysis reveals that the nitriding of the iron occurred at exactly the same temperature as ammonia decomposition started. The iron nitriding and denitriding reactions are shown to be related to steps that take place during ammonia decomposition and the optimum conditions for ammonia decomposition over iron catalysts are discussed.

  15. In-Situ Neutron Diffraction Study of the Deformation Mechanisms in Solutionized Mg-Zn Alloys

    Science.gov (United States)

    Mulay, R. P.; Agnew, S. R.; Caceres, C. H.

    In-situ neutron diffraction experiments were carried out on solutionized and randomly textured Mg-Zn alloy castings with similar grain sizes but variation in Zn content from 1.7 to 6.6 wt %. The evolution in internal elastic strains and diffraction peak intensities with increasing load were analyzed. The macroscopic stress strain curve shows an increase in yield strength with an increase in zinc content. Neutron diffraction results indicate that the strength of basal slip, tension twinning and slip/compression twinning modes increases with increase in zinc content. However, the strength of prismatic slip appears to be unaffected by zinc content at lower concentrations and increases with zinc content only at higher concentrations. These results are discussed in light of prior work on the Mg-Zn system.

  16. 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.

  17. Electrostatic levitation facility optimized for neutron diffraction studies of high temperature liquids at a spallation neutron source

    Energy Technology Data Exchange (ETDEWEB)

    Mauro, N. A., E-mail: namauro@noctrl.edu [Department of Physics, North Central College, Naperville, Illinois 60540 (United States); Vogt, A. J. [Instrument and Source Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Derendorf, K. S. [Mechanical Engineering and Materials Science, Washington University, St. Louis, Missouri 63130 (United States); Johnson, M. L.; Kelton, K. F. [Department of Physics and Institute of Materials Science and Engineering, Washington University, 1 Brookings Drive, St. Louis, Missouri 63130 (United States); Rustan, G. E.; Quirinale, D. G.; Goldman, A. I. [Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States); Kreyssig, A. [Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States); Division of Materials Sciences and Engineering, Ames Laboratory, Ames, Iowa 50011 (United States); Lokshin, K. A. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Neuefeind, J. C.; An, Ke [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Wang, Xun-Li [Department of Physics and Materials Science, City University of Hong Kong, 83 Tat Chee Ave., Kowloon (Hong Kong); Egami, T. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Department of Physics and Astronomy, Joint Institute for Neutron Sciences, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2016-01-15

    Neutron diffraction studies of metallic liquids provide valuable information about inherent topological and chemical ordering on multiple length scales as well as insight into dynamical processes at the level of a few atoms. However, there exist very few facilities in the world that allow such studies to be made of reactive metallic liquids in a containerless environment, and these are designed for use at reactor-based neutron sources. We present an electrostatic levitation facility, NESL (for Neutron ElectroStatic Levitator), which takes advantage of the enhanced capabilities and increased neutron flux available at spallation neutron sources (SNSs). NESL enables high quality elastic and inelastic neutron scattering experiments to be made of reactive metallic and other liquids in the equilibrium and supercooled temperature regime. The apparatus is comprised of a high vacuum chamber, external and internal neutron collimation optics, and a sample exchange mechanism that allows up to 30 samples to be processed between chamber openings. Two heating lasers allow excellent sample temperature homogeneity, even for samples approaching 500 mg, and an automated temperature control system allows isothermal measurements to be conducted for times approaching 2 h in the liquid state, with variations in the average sample temperature of less than 0.5%. To demonstrate the capabilities of the facility for elastic scattering studies of liquids, a high quality total structure factor for Zr{sub 64}Ni{sub 36} measured slightly above the liquidus temperature is presented from experiments conducted on the nanoscale-ordered materials diffractometer (NOMAD) beam line at the SNS after only 30 min of acquisition time for a small sample (∼100 mg)

  18. Development of High Resolution Resonance Ionization Mass Spectrometry for Neutron Dosimetry Technique with93Nb(n,n'93mNb Reaction

    Directory of Open Access Journals (Sweden)

    Tomita Hideki

    2016-01-01

    Full Text Available We have proposed an advanced technique to measure the 93mNb yield precisely by Resonance Ionization Mass Spectrometry, instead of conventional characteristic X-ray spectroscopy. 93mNb-selective resonance ionization is achievable by distinguishing the hyperfine splitting of the atomic energy levels between 93Nb and 93mNb at high resolution. In advance of 93mNb detection, we could successfully demonstrate high resolution resonant ionization spectroscopy of stable 93Nb using an all solid-state, narrow-band and tunable Ti:Sapphire laser system operated at 1 kHz repetition rate.

  19. Final Technical Report: Application of in situ Neutron Diffraction to Understand the Mechanism of Phase Transitions

    Energy Technology Data Exchange (ETDEWEB)

    Chandran, Ravi

    2018-02-09

    In this research, phase transitions in the bulk electrodes for Li-ion batteries were investigated using neutron diffraction (ND) as well as neutron imaging techniques. The objectives of this research is to design of a novel in situ electrochemical cell to obtain Rietveld refinable neutron diffraction experiments using small volume electrodes of various laboratory/research-scale electrodes intended for Li-ion batteries. This cell is also to be used to investigate the complexity of phase transitions in Li(Mg) alloy electrodes, either by diffraction or by neutron imaging, which occur under electrochemical lithiation and delithiation, and to determine aspects of phase transition that enable/limit energy storage capacity. Additional objective is to investigate the phase transitions in electrodes made of etched micro-columns of silicon and investigate the effect of particle/column size on phase transitions and nonequilibrium structures. An in situ electrochemical cell was designed successfully and was used to study the phase transitions under in-situ neutron diffraction in both the electrodes (anode/cathode) simultaneously in graphite/LiCoO2 and in graphite/LiMn2O4 cells each with two cells. The diffraction patterns fully validated the working of the in situ cell. Additional experimental were performed using the Si micro-columnar electrodes. The results revealed new lithiation phenomena, as evidenced by mosaicity formation in silicon electrode. These experiments were performed in Vulcan diffractometer at SNS, Oak Ridge National Laboratory. In parallel, the spatial distribution of Li during lithiation and delithiation processes in Li-battery electrodes were investigated. For this purpose, neutron tomographic imaging technique has been used for 3D mapping of Li distribution in bulk Li(Mg) alloy electrodes. It was possible to observe the phase boundary of Li(Mg) alloy indicating phase transition from Li-rich BCC β-phase to Li-lean

  20. 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.

  1. 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.

  2. Neutron diffraction study of LnBaCuFeO5+#delta#, (Ln=Y,Pr)

    DEFF Research Database (Denmark)

    Ruiz-Aragón, M.J.; Amador, U.; Morán, E.

    1994-01-01

    Neutron diffraction studies of the title materials have been performed at 600K, R.T. and 8K. Copper and iron ions are randomly distributed in two equivalent MO2 planes being the symmetry P4/mmm for all the samples and temperatures. Some extra oxygen has been found in PrBaCuFeO5+δ destroying the AF...... ordering, present at R. T. in YBaCuFeO5. Besides this, at low temperature a magnetic phase transition has been found. On the other hand, both materials show a complex micro-structure as determined by electron diffraction....

  3. Neutron diffraction measurements and modeling of residual strains in metal matrix composites

    Science.gov (United States)

    Saigal, A.; Leisk, G. G.; Hubbard, C. R.; Misture, S. T.; Wang, X. L.

    1996-01-01

    Neutron diffraction measurements at room temperature are used to characterize the residual strains in tungsten fiber-reinforced copper matrix, tungsten fiber-reinforced Kanthal matrix, and diamond particulate-reinforced copper matrix composites. Results of finite element modeling are compared with the neutron diffraction data. In tungsten/Kanthal composites, the fibers are in compression, the matrix is in tension, and the thermal residual strains are a strong function of the volume fraction of fibers. In copper matrix composites, the matrix is in tension and the stresses are independent of the volume fraction of tungsten fibers or diamond particles and the assumed stress free temperature because of the low yield strength of the matrix phase.

  4. Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures

    DEFF Research Database (Denmark)

    Cereser, Alberto; Strobl, Markus; Hall, Stephen A.

    2017-01-01

    -of-flight neutron beamline. The technique was developed and tested with data collected at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Complex (J-PARC) for an iron sample. We successfully reconstructed the shape of 108 grains and developed an indexing procedure...... constituting the material. This article presents a new non-destructive 3D technique to study centimeter-sized bulk samples with a spatial resolution of hundred micrometers: time-of-flight three-dimensional neutron diffraction (ToF 3DND). Compared to existing analogous X-ray diffraction techniques, ToF 3DND...... enables studies of samples that can be both larger in size and made of heavier elements. Moreover, ToF 3DND facilitates the use of complicated sample environments. The basic ToF 3DND setup, utilizing an imaging detector with high spatial and temporal resolution, can easily be implemented at a time...

  5. In Situ Studies of Intercritically Austempered Ductile Iron Using Neutron Diffraction

    Science.gov (United States)

    Druschitz, Alan P.; Aristizabal, Ricardo E.; Druschitz, Edward; Hubbard, C. R.; Watkins, Thomas R.; Walker, L.; Ostrander, Mel

    2012-05-01

    Intercritically austempered ductile irons hold promise for applications requiring fatigue durability, excellent castability, low production energy requirements, reduced greenhouse gas emissions, and excellent machinability. In the present study, four different ductile iron alloys, containing manganese and nickel as the primary austenite-stabilizing elements, were heat treated to obtain different quantities of austenite in the final microstructure. This article reports the microstructures and phases present in these alloys. Furthermore, lattice strains and diffraction elastic constants in various crystallographic directions and the transformation characteristics of the austenite were determined as a function of applied stress using in situ loading during neutron diffraction at the second generation Neutron Residual Stress Facility at the High Flux Isotope Reactor at Oak Ridge National Laboratory.

  6. Neutron Diffraction from the Second Layer of 4He on Graphite

    DEFF Research Database (Denmark)

    da Costa Carneiro, Kim; Passell, L.; Thomlinson, W.

    1981-01-01

    Neutron diffraction has been used to study the second atomic layer of **4He adsorbed on graphite. As the **4He-coverage exceeds the first layer, the second initially forms a fluid phase. But when there is enough **4He in the third layer to compress the second, this layer solidifies. The structure...... of the second layer as well as the distances between layers are discussed.......Neutron diffraction has been used to study the second atomic layer of **4He adsorbed on graphite. As the **4He-coverage exceeds the first layer, the second initially forms a fluid phase. But when there is enough **4He in the third layer to compress the second, this layer solidifies. The structure...

  7. Time-of-Flight Three Dimensional Neutron Diffraction in Transmission Mode for Mapping Crystal Grain Structures

    DEFF Research Database (Denmark)

    Cereser, Alberto; Strobl, Markus; Hall, Stephen A.

    2017-01-01

    constituting the material. This article presents a new non-destructive 3D technique to study centimeter-sized bulk samples with a spatial resolution of hundred micrometers: time-of-flight three-dimensional neutron diffraction (ToF 3DND). Compared to existing analogous X-ray diffraction techniques, ToF 3DND...... enables studies of samples that can be both larger in size and made of heavier elements. Moreover, ToF 3DND facilitates the use of complicated sample environments. The basic ToF 3DND setup, utilizing an imaging detector with high spatial and temporal resolution, can easily be implemented at a time......-of-flight neutron beamline. The technique was developed and tested with data collected at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Complex (J-PARC) for an iron sample. We successfully reconstructed the shape of 108 grains and developed an indexing procedure...

  8. 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.

  9. Neutron diffraction on CeMnAlD{sub x} (0{<=}x{<=}2.5)

    Energy Technology Data Exchange (ETDEWEB)

    Spatz, P.; Gross, K.; Schlapbach, L. [Fribourg Univ. (Switzerland); Fischer, P.; Fauth, F. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-09-01

    CeMnAl was found to absorb considerable amounts of hydrogen. Part of the totally stored hydrogen is absorbed at low pressures (< 10 mbar). Additional hydrogen can be absorbed and desorbed reversible in a wide pressure range (10 mbar to 10 bar) at room temperature. In order to a better understanding of this new metal-hydride system, we performed neutron diffraction on deuterated CeMnAl samples with different D-concentrations. (author) 1 fig., 2 refs.

  10. Optimisation of post-drawing treatments by means of neutron diffraction

    OpenAIRE

    Ruiz Hervías, Jesús; Atienza Riera, José Miguel; Elices Calafat, Manuel; Oliver, E.C

    2008-01-01

    The mechanical properties and the durability of cold-drawn eutectoid wires (especially in aggressive environments) are influenced by the residual stresses generated during the drawing process. Steelmakers have devised procedures (thermomechanical treatments after drawing) attempting to relieve them in order to improve wire performance. In thiswork neutron diffraction measurements have been used to ascertain the role of temperature and applied force – during post-drawing treatments – on the re...

  11. Neutron Diffraction Study of Magnetic Ordering in Cd1-xMnxTe

    DEFF Research Database (Denmark)

    Giebultowicz, T.; Kepa, H.; Buras, B.

    1981-01-01

    Neutron diffraction experiments were performed on Cd1−xMnxTe crystals for x=0.40, 0.60, 0.63, 0.65 and 0.70. Magnetic Bragg scattering was observed at low temperatures for xgreater-or-equal, slanted0.60 corresponding to the Type III antiferromagnetic ordering of a f.c.c. sub-lattice. The Néel...

  12. European Collaboration for High-Resolution Measurements of Neutron Cross Sections between 1 MeV and 250 MeV

    CERN Multimedia

    Leal, L C; Kitis, G; Guber, K H; Yuasa nakagawa, K; Koehler, P E; Quaranta, A

    2002-01-01

    The experimental determination of neutron cross section data has always been of primary importance in Nuclear Physics. Many of the salient features of nuclear levels and densities can be determined from the resonant structure of such cross sections and of their decay scheme. An associated importance of precise neutron induced reaction cross sections has resulted from the worldwide interest in Accelerator Driven Systems (ADS) that has emerged at CERN and elsewhere. Many applications, such as accelerator-based transmutation of nuclear waste, energy amplification medical research, astrophysical applications and also fusion research require nuclear data that quantitatively and qualitatively go beyond the presently available traditional evaluation.\\\\ \\\\We consider a spallation driven TOF facility at the CERN-PS with an unprecedented neutron flux (1000 times the existing ones) in the broad energy range between 1 eV and 250 MeV and with very high energy resolution. The present concept for an intense neutron source m...

  13. Neutron Diffraction Evaluation of Near Surface Residual Stresses at Welds in 1300 MPa Yield Strength Steel

    Science.gov (United States)

    Harati, Ebrahim; Karlsson, Leif; Svensson, Lars-Erik; Pirling, Thilo; Dalaei, Kamellia

    2017-01-01

    Evaluation of residual stress in the weld toe region is of critical importance. In this paper, the residual stress distribution both near the surface and in depth around the weld toe was investigated using neutron diffraction, complemented with X-ray diffraction. Measurements were done on a 1300 MPa yield strength steel welded using a Low Transformation Temperature (LTT) consumable. Near surface residual stresses, as close as 39 µm below the surface, were measured using neutron diffraction and evaluated by applying a near surface data correction technique. Very steep surface stress gradients within 0.5 mm of the surface were found both at the weld toe and 2 mm into the heat affected zone (HAZ). Neutron results showed that the LTT consumable was capable of inducing near surface compressive residual stresses in all directions at the weld toe. It is concluded that there are very steep stress gradients both transverse to the weld toe line and in the depth direction, at the weld toe in LTT welds. Residual stress in the base material a few millimeters from the weld toe can be very different from the stress at the weld toe. Care must, therefore, be exercised when relating the residual stress to fatigue strength in LTT welds. PMID:28772953

  14. Neutron Diffraction Evaluation of Near Surface Residual Stresses at Welds in 1300 MPa Yield Strength Steel

    Directory of Open Access Journals (Sweden)

    Ebrahim Harati

    2017-05-01

    Full Text Available Evaluation of residual stress in the weld toe region is of critical importance. In this paper, the residual stress distribution both near the surface and in depth around the weld toe was investigated using neutron diffraction, complemented with X-ray diffraction. Measurements were done on a 1300 MPa yield strength steel welded using a Low Transformation Temperature (LTT consumable. Near surface residual stresses, as close as 39 µm below the surface, were measured using neutron diffraction and evaluated by applying a near surface data correction technique. Very steep surface stress gradients within 0.5 mm of the surface were found both at the weld toe and 2 mm into the heat affected zone (HAZ. Neutron results showed that the LTT consumable was capable of inducing near surface compressive residual stresses in all directions at the weld toe. It is concluded that there are very steep stress gradients both transverse to the weld toe line and in the depth direction, at the weld toe in LTT welds. Residual stress in the base material a few millimeters from the weld toe can be very different from the stress at the weld toe. Care must, therefore, be exercised when relating the residual stress to fatigue strength in LTT welds.

  15. Neutron diffraction and quasielastic neutron scattering studies of films of intermediate-length alkanes adsorbed on a graphite surface

    Science.gov (United States)

    Diama, Armand

    Over the past several years, we have conducted a variety of elastic neutron diffraction and quasielastic neutron scattering experiments to study the structure and the dynamics of films of two intermediate-length alkane molecules (C nH2n+2), adsorbed on a graphite basal-plane surface. The two molecules are the normal alkane n-tetracosane [n-CH 3(CH2)22CH3] and the branched alkane squalane (C30H62 or 2, 6, 10, 15, 19, 23-hexamethyltetracosane) whose carbon backbone is the same length as teteracosane. The temperature dependence of the monolayer structure of tetracosane and squalane was investigated using elastic neutron diffraction and evidence of two phase transitions was observed. Both the low-coverage tetracosane (C 24H50) and squalane (C30H62) monolayers have crystalline-to-"smectic" and "smectic"-to-isotropic fluid phase transitions upon heating. The diffusive motion in the tetracosane and squalane monolayers has been investigated by quasielastic neutron scattering. Two different quasielastic neutron scattering spectrometers at the Center for Neutron Research, National Institute of Standards and Technology (NIST) have been used. The spectrometers differ in both their dynamic range and energy resolution allowing molecular motions to be investigated on time scales in the range 10-13--10 -9 s. On these time scales, we observe evidence of translational, rotational, and intermolecular diffusive motions in the tetracosane and squalane monolayers. We conclude that the molecular diffusive motion in the two monolayers is qualitatively similar. Thus, despite the three methyl sidegroups at each end of the squalane molecule, its monolayer structure, phase transitions, and dynamics are qualitatively similar to that of a monolayer of the unbranched tetracosane molecules. With the higher resolution spectrometer at NIST, we have also investigated the molecular diffusive motion in multilayer tetracosane films. The analysis of our measurements indicates slower diffusive motion in

  16. Inorganic pyrophosphatase crystals from Thermococcus thioreducens for X-ray and neutron diffraction.

    Science.gov (United States)

    Hughes, Ronny C; Coates, Leighton; Blakeley, Matthew P; Tomanicek, Steve J; Langan, Paul; Kovalevsky, Andrey Y; García-Ruiz, Juan M; Ng, Joseph D

    2012-12-01

    Inorganic pyrophosphatase (IPPase) from the archaeon Thermococcus thioreducens was cloned, overexpressed in Escherichia coli, purified and crystallized in restricted geometry, resulting in large crystal volumes exceeding 5 mm3. IPPase is thermally stable and is able to resist denaturation at temperatures above 348 K. Owing to the high temperature tolerance of the enzyme, the protein was amenable to room-temperature manipulation at the level of protein preparation, crystallization and X-ray and neutron diffraction analyses. A complete synchrotron X-ray diffraction data set to 1.85 Å resolution was collected at room temperature from a single crystal of IPPase (monoclinic space group C2, unit-cell parameters a=106.11, b=95.46, c=113.68 Å, α=γ=90.0, β=98.12°). As large-volume crystals of IPPase can be obtained, preliminary neutron diffraction tests were undertaken. Consequently, Laue diffraction images were obtained, with reflections observed to 2.1 Å resolution with I/σ(I) greater than 2.5. The preliminary crystallographic results reported here set in place future structure-function and mechanism studies of IPPase.

  17. Sample positioning in neutron diffraction experiments using a multi-material fiducial marker

    Energy Technology Data Exchange (ETDEWEB)

    Marais, D., E-mail: Deon.Marais@necsa.co.za [Research and Development Division, South African Nuclear Energy Corporation (Necsa) SOC Limited, PO Box 582, Pretoria 0001 (South Africa); School of Mechanical and Nuclear Engineering, North-West University, Potchefstroom 2520 (South Africa); Venter, A.M., E-mail: Andrew.Venter@necsa.co.za [Research and Development Division, South African Nuclear Energy Corporation (Necsa) SOC Limited, PO Box 582, Pretoria 0001 (South Africa); Faculty of Agriculture Science and Technology, North-West University, Mahikeng 2790 (South Africa); Markgraaff, J., E-mail: Johan.Markgraaff@nwu.ac.za [School of Mechanical and Nuclear Engineering, North-West University, Potchefstroom 2520 (South Africa); James, J., E-mail: Jon.James@open.ac.uk [Faculty of Mathematics, Computing and Technology, The Open University, Milton Keynes, MK76AA England (United Kingdom)

    2017-01-01

    An alternative sample positioning method is reported for use in conjunction with sample positioning and experiment planning software systems deployed on some neutron diffraction strain scanners. In this approach, the spherical fiducial markers and location trackers used with optical metrology hardware are replaced with a specifically designed multi-material fiducial marker that requires one diffraction measurement. In a blind setting, the marker position can be determined within an accuracy of ±164 µm with respect to the instrument gauge volume. The scheme is based on a pre-determined relationship that links the diffracted peak intensity to the absolute positioning of the fiducial marker with respect to the instrument gauge volume. Two methods for establishing the linking relationship are presented, respectively based on fitting multi-dimensional quadratic functions and a cross-correlation artificial neural network.

  18. Sample positioning in neutron diffraction experiments using a multi-material fiducial marker

    Science.gov (United States)

    Marais, D.; Venter, A. M.; Markgraaff, J.; James, J.

    2017-01-01

    An alternative sample positioning method is reported for use in conjunction with sample positioning and experiment planning software systems deployed on some neutron diffraction strain scanners. In this approach, the spherical fiducial markers and location trackers used with optical metrology hardware are replaced with a specifically designed multi-material fiducial marker that requires one diffraction measurement. In a blind setting, the marker position can be determined within an accuracy of ±164 μm with respect to the instrument gauge volume. The scheme is based on a pre-determined relationship that links the diffracted peak intensity to the absolute positioning of the fiducial marker with respect to the instrument gauge volume. Two methods for establishing the linking relationship are presented, respectively based on fitting multi-dimensional quadratic functions and a cross-correlation artificial neural network.

  19. Evidence for incomplete martensitic transformation in Ni{sub 0.62}Al{sub 0.38} by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, Darren [Department of Physics, University of Virginia, 382 McCormick Road, P.O. Box 400714, Charlottesville, VA 22904 (United States); Louca, Despina [Department of Physics, University of Virginia, 382 McCormick Road, P.O. Box 400714, Charlottesville, VA 22904 (United States)]. E-mail: louca@virginia.edu

    2005-09-15

    High-resolution neutron powder diffraction was used to investigate the evolution of the crystal structure of Ni{sub 0.62}Al{sub 0.38} with a martensitic transformation temperature, M {sub S}, of 65 K as a function of temperature. Although the {beta}{sub 2} parent phase has the propensity to nucleation instability, no precursor effects are observed until {approx}40 deg. above M {sub S}. Below M {sub S}, the transition does not occur homogeneously and it is shown that the martensite coexists with the austenite over a wide temperature range. The low temperature phase seems to be largely described by the 7R structure that accomodates the transition from the parent to the martensite and minimizes the lattice mismatch between the two.

  20. 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.

  1. Pulse shape discrimination characteristics of stilbene crystal, pure and 6Li loaded plastic scintillators for a high resolution coded-aperture neutron imager

    Science.gov (United States)

    Cieślak, M. J.; Gamage, K. A. A.; Glover, R.

    2017-07-01

    Pulse shape discrimination performances of single stilbene crystal, pure plastic and 6Li loaded plastic scintillators have been compared. Three pulse shape discrimination algorithms have been tested for each scintillator sample, assessing their quality of neutron/gamma separation. Additionally, the digital implementation feasibility of each algorithm in a real-time embedded system was evaluated. Considering the pixelated architecture of the coded-aperture imaging system, a reliable method of simultaneous multi-channel neutron/gamma discrimination was sought, accounting for the short data analysis window available for each individual channel. In this study, each scintillator sample was irradiated with a 252Cf neutron source and a bespoke digitiser system was used to collect the data allowing detailed offline examination of the sampled pulses. The figure-of-merit was utilised to compare the discrimination quality of the collected events with respect to various discrimination algorithms. Single stilbene crystal presents superior neutron/gamma separation performance when compared to the plastic scintillator samples.

  2. X-ray Diffraction and Neutron Scattering Analysis of Natural and Synthetic Spider Silk Fibers

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Randolph [Utah State Univ., Logan, UT (United States)

    2013-11-11

    Spider silks have the potential to provide new bio-inspired materials for numerous applications in bioenergetics and products ranging from protective clothing to artificial ligaments and tendons. A number of spider silk genes have been cloned and sequenced by the Lewis laboratory revealing the basis for understanding the key elements of spider silk proteins with respect to their materials performance. In particular, specific amino acid motifs have been identified which have been conserved for over 125 million years in all spiders that use their silk to physically trap prey. The key element in taking the next step toward generating bio-based materials from spider silks will be to move from the current descriptive data to predictive knowledge. Current efforts are focused on mimicking spider silk through synthetic proteins. In developing synthetic silk fibers, we first need to understand the complete secondary and tertiary structure of natural silk so that we can compare synthetic constructs to the natural material. Being able to compare the structure on a single fiber level is critical to the future of molecular directed mimic development because we can vary mechanical properties by different spinning methods. The new generation of synchrotron x-ray diffraction and neutron beamlines will allow, for the first time, determination of the molecular structure of silk fibers and synthetic mimics. We propose an exciting new collaborative research team working jointly between Argonne National Laboratory, Arizona State U. and the University of Wyoming to address the ?characterization of synthetic and natural spider silk fibers using x-ray and neutron diffraction.? Thus these new methodologies will provide understanding of current fibers and determine changes needed to produce fibers with specific properties. The following specific aims are proposed: ? Synthesize spider silk fibers with molecular structures mimicking that of natural silks. Test the mechanic properties of these

  3. Production, crystallization and neutron diffraction of fully deuterated human myelin peripheral membrane protein P2.

    Science.gov (United States)

    Laulumaa, Saara; Blakeley, Matthew P; Raasakka, Arne; Moulin, Martine; Härtlein, Michael; Kursula, Petri

    2015-11-01

    The molecular details of the formation of the myelin sheath, a multilayered membrane in the nervous system, are to a large extent unknown. P2 is a peripheral membrane protein from peripheral nervous system myelin, which is believed to play a role in this process. X-ray crystallographic studies and complementary experiments have provided information on the structure-function relationships in P2. In this study, a fully deuterated sample of human P2 was produced. Crystals that were large enough for neutron diffraction were grown by a ten-month procedure of feeding, and neutron diffraction data were collected to a resolution of 2.4 Å from a crystal of 0.09 mm(3) in volume. The neutron crystal structure will allow the positions of H atoms in P2 and its fatty-acid ligand to be visualized, as well as shedding light on the fine details of the hydrogen-bonding networks within the P2 ligand-binding cavity.

  4. Structure of deuterated liquid n-butanol by neutron diffraction and molecular dynamics simulations

    Science.gov (United States)

    Cristiglio, Viviana; Gonzalez, Miguel Angel; Cuello, Gabriel Julio; Cabrillo, Carlos; Pardo, Luis Carlos; Silva-Santisteban, Alvaro

    Aliphatic alcohols are the simpler molecular liquids possessing a polar hydroxylic group and a nonpolar alkyl tail. While the structure of the smallest alcohols has been relatively well studied, no much attention has been paid to the temperature dependence of the pre-peak observed before the main diffraction peak. The role of H-bonding in causing this feature and the direct relation between the number of C atoms and their distance were discovered very early, suggesting a liquid picture constituted of straight chains joined by H-bonds with the formation of mesoscopic size clusters. X-rays and neutron diffraction measurements showed that the height of the pre-peak associated with the formation of H-bonds increases with temperature. To explain this counterintuitive effect, a complete diffraction study using two neutron diffractometers D4 and D16 (ILL, Grenoble, France) allowing to cover the range 0.01-23 Å t1 and exploring a temperature range from 100 K (glassy butanol) to 400 K (moderately supercritical conditions) has been conducted. Molecular Dynamics simulations using the OPLS-AA potential were also carried out as a function of temperature and compared to experiment. Experimental and numerical results of liquid n-butanol and its glassy transition will be presented.

  5. Neutron diffraction analysis of residual strain/stress distribution in the vicinity of high strength welds

    Directory of Open Access Journals (Sweden)

    Hamák I.

    2010-06-01

    Full Text Available Residual stresses resulting from non homogeneous heat distribution during welding process belong to most significant factor influencing behavior of welded structures. These stresses are responsible for defect occurrence during welding and they are also responsible for crack initiation and propagation at the either static or dynamic load. The significant effect of weld metal chemical composition as well as the effect of fatigue load and local plastic deformation on residual stress distribution and fatigue life have been recognized for high strength steels welds. The changes in residual stress distribution have then positive effect on cold cracking behavior and also on fatigue properties of the welds [1-3]. Several experimental methods, both destructive and non-destructive, such as hole drilling method, X-ray diffraction, neutron diffraction and others, have been used to examine residual stress distribution in all three significant orientations in the vicinity of the welds. The present contribution summarizes the results of neutron diffraction measurements of residual stress distribution in the vicinity of single-pass high-strength-steel welds having different chemical composition as well as the influence of fatigue load and local plastic deformation. It has been observed that the chemical composition of the weld metal has a significant influence on the stress distribution around the weld. Similarly, by aplying both cyclic load or pre-stress load on the specimens, stress relaxation was observed even in the region of approximately 40 mm far from the weld toe.

  6. First experimental implementation of pulse shaping for neutron diffraction on pulsed sources

    Energy Technology Data Exchange (ETDEWEB)

    Russina, M. [Helmholtz-Zentrum-Berlin, Hahn-Meitner Platz 1, 14109 Berlin (Germany); Kali, Gy.; Santa, Zs. [HAS Research Institute for Solid State Physics, Konkoly Thege ut. 29-33, 1121 Budapest (Hungary); Mezei, F., E-mail: f.mezei@esshungary.eu [HAS Research Institute for Solid State Physics, Konkoly Thege ut. 29-33, 1121 Budapest (Hungary); European Spallation Source ESS AB, P.O. Box 176, 22100 Lund (Sweden)

    2011-10-21

    One of the central issues in the design and the use of pulsed neutron sources is the control of pulse length in elastic scattering experiments, most significantly diffraction on crystalline matter. On the existing short pulse spallation sources the strongly wavelength dependent source pulse length that determines the resolution is permanently fixed on each beam line by the type of the moderator it faces. We have experimentally implemented for the first time the wavelength frame multiplication (WFM) multiplexing chopper method, an earlier proposed variant of the by now fully tested repetition rate multiplication technique for inelastic scattering spectroscopy on pulsed neutron sources. We have operated the time-of-flight diffractometer at the continuous reactor source at BNC in an unconventional multiplexing mode that emulates a pulsed source. As a full proof of principle of the WFM method we have experimentally demonstrated the extraction from each source pulse a series of polychromatic, chopper shaped neutron pulses, which can continuously cover any wavelength band. The achieved 25 {mu}s FWHM pulse length is shorter than that can be obtained at all at short pulse spallation sources for cold neutrons. The method allows us to build efficient, high and variable resolution diffractometers at long pulse spallation sources.

  7. High-resolution spectroscopy of 32P . (II). Level density and primary transition strengths observed after thermal neutron capture in 31P

    Science.gov (United States)

    Michaelsen, S.; Winter, Ch.; Lieb, K. P.; Krusche, B.; Robinson, S.; Von Egidy, T.

    1989-09-01

    The -γ-ray spectrum emitted after thermal neutron capture in 31P was studied at the ILL high flux reactor with a pair spectrometer and an intrinsic Ge detector. A total of 212 transitions were assigned to the decay of 32P and 155 of these, representing 96.7% of the observed flux, were placed in a level scheme of 38 states. The neutron binding energy was determined as 7935.74 (16) keV. The densities of states observed in this reaction and in a recent (d, p) study are analyzed in the constant temperature Fermi-gas model. The primary E1 and M1 transition strengths in 32P are discussed and are compared to other sd-shell nuclei.

  8. Residual stress determination in an overlay dissimilar welded pipe by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Woo, Wan Chuck [ORNL; Em, Vyacheslav [Korea Atomic Energy Research Institute; Hubbard, Camden R [ORNL; Lee, Ho-Jin [Korea Atomic Energy Research Institute; Park, Kwang Soo [Doosan Heavy Industries & Construction

    2011-01-01

    Residual stresses were determined through the thickness of a dissimilar weld overlay pipe using neutron diffraction. The specimen has a complex joining structure consisting of a ferritic steel (SA508), austenitic steel (F316L), Ni-based consumable (Alloy 182), and overlay of Ni-base superalloy (Alloy 52M). It simulates pressurized nozzle components, which have been a critical issue under the severe crack condition of nuclear power reactors. Two neutron diffractometers with different spatial resolutions have been utilized on the identical specimen for comparison. The macroscopic 'stress-free' lattice spacing (d{sub o}) was also obtained from both using a 2-mm width comb-like coupon. The results show significant changes in residual stresses from tension (300-400 MPa) to compression (-600 MPa) through the thickness of the dissimilar weld overlay pipe specimen.

  9. High-pressure studies on Ba-doped cobalt perovskites by neutron diffraction

    Science.gov (United States)

    Cao, Huibo; Garlea, Vasile; Wang, Fangwei; Dos Santos, Antonio; Cheng, Zhaohua

    2012-02-01

    Cobalt perovskite possess rich structural, magnetic and electrical properties depending on the subtle balance of the interactions among the spin, charge, and orbital degrees of freedom. Divalent hole-doped cobalt perovskites LaA^2+CoO3 exhibit structural phase transitions, metal-insulator transitions, and multi-magnetic phase transitions. High-pressure measurement is believed to mimic the size effects of the doped ions. We performed neutron diffraction experiments on selected Ba-doped LaCoO3 under pressures up to 6.3 GPa at SNAP at Spallation Neutron Source of ORNL. This work focuses on the high-pressure effects of the selected Ba-doped samples and the change of the phase diagram with pressure.

  10. Neutron Diffraction Characterization of C–H···Li Interactions in a Lithium Aluminate Polymer

    Energy Technology Data Exchange (ETDEWEB)

    Cole, Jacqueline M.; Waddell, Paul G.; Wheatley, Andrew E. H.; McIntyre, Garry J.; Peel, Andrew J.; Tate, Christopher W.; Linton, David J.

    2014-08-11

    The reaction of AlMe3 with tBuLi in the presence of trimethylacetonitrile affords the bimetallic complex [tBu(Me)Al(μ-Me)2Li·NC(tBu)]∞ (1). Pseudotetrahedral Al centers form by the nucelophilic addition of tBuLi to AlMe3.The alkali-metal center is stabilized through coordination of the unreacted nitrile and polymer formation via the construction of Al(μ-Me)nLi (n = 1, 2) motifs. Neutron diffraction evidences agostic interactions in the bridging methyl group to give further stabilization. There is only one previous report of a neutron structure of a lithium aluminate compound. This work therefore offers an important structural example of agostic interactions and the precise nature of Al(μ-Me)2Li bridging.

  11. Neutron diffraction studies on a system with a 4-coordinate hydrogen atom in an yttrium cluster

    Energy Technology Data Exchange (ETDEWEB)

    Yousufuddin, Muhammed [Department of Chemistry, University of Southern California, Los Angeles, CA 90089 (United States); Baldamus, Jens [RIKEN - Institute of Physical and Chemical Research, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Tardif, Olivier [RIKEN - Institute of Physical and Chemical Research, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Hou Zhaomin [RIKEN - Institute of Physical and Chemical Research, Hirosawa 2-1, Wako, Saitama 351-0198 (Japan); Mason, Sax A. [Institut Laue Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble Cedex 9 (France); McIntyre, Garry J. [Institut Laue Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble Cedex 9 (France); Bau, Robert [Department of Chemistry, University of Southern California, Los Angeles, CA 90089 (United States)]. E-mail: bau@usc.edu

    2006-11-15

    A 4-coordinate H atom has been unambiguously located, by single-crystal neutron diffraction for the first time, in the center of the tetrahedral metal complex Y{sub 4}H{sub 8}(Cp''){sub 4}(THF) [Cp''=C{sub 5}Me{sub 4}(SiMe{sub 3})]. The core of the molecule consists of a tetranuclear cluster with one interstitial, one face-bridging and six edge-bridging hydride ligands. The four individual Y-H distances to the unique interstitial hydride ligand are 2.184(16), 2.189(16), 2.221(13) and 2.168(12) A. Neutron data were collected on a 4-mm{sup 3} crystal at the Quasi-Laue diffractometer VIVALDI at ILL (Grenoble), and the present agreement factor is R=12.2% for 3566 reflections.

  12. Assessment of Shape Memory Alloys - From Atoms To Actuators - Via In Situ Neutron Diffraction

    Science.gov (United States)

    Benafan, Othmane

    2014-01-01

    As shape memory alloys (SMAs) become an established actuator technology, it is important to identify the fundamental mechanisms responsible for their performance by understanding microstructure performance relationships from processing to final form. Yet, microstructural examination of SMAs at stress and temperature is often a challenge since structural changes occur with stress and temperature and microstructures cannot be preserved through quenching or after stress removal, as would be the case for conventional materials. One solution to this dilemma is in situ neutron diffraction, which has been applied to the investigation of SMAs and has offered a unique approach to reveal the fundamental micromechanics and microstructural aspects of bulk SMAs in a non-destructive setting. Through this technique, it is possible to directly correlate the micromechanical responses (e.g., internal residual stresses, lattice strains), microstructural evolutions (e.g., texture, defects) and phase transformation properties (e.g., phase fractions, kinetics) to the macroscopic actuator behavior. In this work, in situ neutron diffraction was systematically employed to evaluate the deformation and transformation behavior of SMAs under typical actuator conditions. Austenite and martensite phases, yield behavior, variant selection and transformation temperatures were characterized for a polycrystalline NiTi (49.9 at. Ni). As the alloy transforms under thermomechanical loading, the measured textures and lattice plane-level variations were directly related to the cyclic actuation-strain characteristics and the dimensional instability (strain ratcheting) commonly observed in this alloy. The effect of training on the shape memory characteristics of the alloy and the development of two-way shape memory effect (TWSME) were also assessed. The final conversion from a material to a useful actuator, typically termed shape setting, was also investigated in situ during constrained heatingcooling and

  13. Crystallization of a fungal lytic polysaccharide monooxygenase expressed from glycoengineered Pichia pastoris for X-ray and neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    O; Dell, William B.; Swartz, Paul D.; Weiss, Kevin L.; Meilleur, Flora (ORNL); (NCSU)

    2017-01-19

    Lytic polysaccharide monooxygenases (LPMOs) are carbohydrate-disrupting enzymes secreted by bacteria and fungi that break glycosidic bondsviaan oxidative mechanism. Fungal LPMOs typically act on cellulose and can enhance the efficiency of cellulose-hydrolyzing enzymes that release soluble sugars for bioethanol production or other industrial uses. The enzyme PMO-2 fromNeurospora crassa(NcPMO-2) was heterologously expressed inPichia pastoristo facilitate crystallographic studies of the fungal LPMO mechanism. Diffraction resolution and crystal morphology were improved by expressingNcPMO-2 from a glycoengineered strain ofP. pastorisand by the use of crystal seeding methods, respectively. These improvements resulted in high-resolution (1.20 Å) X-ray diffraction data collection at 100 K and the production of a largeNcPMO-2 crystal suitable for room-temperature neutron diffraction data collection to 2.12 Å resolution.

  14. 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.

  15. 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.

  16. 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.

  17. Residual stress measurements via neutron diffraction of additive manufactured stainless steel 17-4 PH

    OpenAIRE

    Mohammad Masoomi; Nima Shamsaei; Winholtz, Robert A.; Milner, Justin L.; Thomas Gnäupel-Herold; Alaa Elwany; Mohamad Mahmoudi; Thompson, Scott M.

    2017-01-01

    Neutron diffraction was employed to measure internal residual stresses at various locations along stainless steel (SS) 17-4 PH specimens additively manufactured via laser-powder bed fusion (L-PBF). Of these specimens, two were rods (diameter=8 mm, length=80 mm) built vertically upward and one a parallelepiped (8×80×9 mm3) built with its longest edge parallel to ground. One rod and the parallelepiped were left in their as-built condition, while the other rod was heat treated. Data presented pr...

  18. The structure of polyunsaturated lipid bilayers important for rhodopsin function: a neutron diffraction study.

    Science.gov (United States)

    Mihailescu, Mihaela; Gawrisch, Klaus

    2006-01-01

    The structure of oriented 1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine bilayers with perdeuterated stearoyl- or docosahexaenoyl hydrocarbon chains was investigated by neutron diffraction. Experiments were conducted at two different relative humidities, 66 and 86%. At both humidities we observed that the polyunsaturated docosahexaenoyl chain has a preference to reside near the lipid water interface. That leaves voids in the bilayer center that are occupied by saturated stearoyl chain segments. This uneven distribution of saturated- and polyunsaturated chain densities is likely to result in membrane elastic stress that modulates function of integral receptor proteins like rhodopsin.

  19. Neutron diffraction studies of structural phase transformations for water-ice in confined geometry

    OpenAIRE

    Dore, John C.; J. Beau W. WEBBER; Hartl, Monika; Behrens, Peter; Hansen, Thomas

    2002-01-01

    Neutron diffraction measurements have been made for D2O water in\\ud the confined geometry of various mesoporous silicas over a wide temperature range. The data have been taken for cooling and heating runs incorporating the nucleation and melting of the crystalline phases and the super-cooled liquid phase. The crystalline forms and the temperatures at which they change are shown to be strongly dependent on the pore size and type of silica used as the confining medium and relate to the phase re...

  20. Neutron diffraction measurements for the determination of residual stresses in MMC tensile and fatigue specimens

    DEFF Research Database (Denmark)

    Fiori, F.; Girardin, E.; Giuliani, A.

    2000-01-01

    The experiments here described have been carried out in the framework of a more general research, aiming to develop a set of complementary models to predict the in-service performances of particle reinforced MMC automotive and aeronautical components. As MMCs are highly heterogeneous materials......, residual stresses are present in both the matrix and the particles microstructure, prior to any macroscopic loading. They vary with the temperature and with the type and level of loading imposed to the material, having a strong influence on the mechanical behaviour of MMCs. Neutron diffraction measurements...

  1. Neutron-Diffraction Study of the Phase Transition in Stannous Chloride Dihydrate

    DEFF Research Database (Denmark)

    Youngblood, R.; Kjems, Jørgen

    1979-01-01

    of the system does not change. We present neutron-diffraction results which show that the temperature dependence of the hydrogen-site occupancies is also highly symmetric around the phase-transition temperature. These results are discussed in terms of a lattice statistical model which was proposed and solved......The order-disorder phase transition in two-dimensional hydrogen-bonded layers of water molecules in SnCl2·2D2O is remarkable in several respects. It has been shown that the peak in the specific heat is highly symmetric around the phase-transition temperature, and that the crystallographic symmetry...

  2. 5-A Fourier map of gramicidin A phased by deuterium-hydrogen solvent difference neutron diffraction

    OpenAIRE

    Koeppe 2nd, R.E.; Schoenborn, B. P.

    1984-01-01

    Crystals of ion-free gramicidin A (P212121: a = 24.61, b = 32.28, c = 32.52) have been investigated using neutron diffraction. A difference analysis of crystals soaked in ethanol/H2O as opposed to ethanol-d6/D2O has led to single isomorphous replacement Fourier projections of the structure at 5-A resolution. The gramicidin dimer appears to be a 32-A-long cylinder oriented parallel to the c-axis in these crystals.

  3. 5-A Fourier map of gramicidin A phased by deuterium-hydrogen solvent difference neutron diffraction.

    Science.gov (United States)

    Koeppe, R E; Schoenborn, B P

    1984-03-01

    Crystals of ion-free gramicidin A (P212121: a = 24.61, b = 32.28, c = 32.52) have been investigated using neutron diffraction. A difference analysis of crystals soaked in ethanol/H2O as opposed to ethanol-d6/D2O has led to single isomorphous replacement Fourier projections of the structure at 5-A resolution. The gramicidin dimer appears to be a 32-A-long cylinder oriented parallel to the c-axis in these crystals.

  4. Residual stress in sprayed Ni+5%Al coatings determined by neutron diffraction

    CERN Document Server

    Matejicek, J; Gnaeupel-Herold, T; Prask, H J

    2002-01-01

    Coatings of nickel-based alloys are used in numerous high-performance applications. Their properties and lifetimes are influenced by factors such as residual stress. Neutron diffraction is a powerful tool for nondestructive residual stress determination. In this study, through-thickness residual stress profiles in Ni+5%Al coatings on steel substrates were determined. Two examples of significantly different spraying techniques - plasma spraying and cold spraying - are highlighted. Different stress-generation mechanisms are discussed with respect to process parameters and material properties. (orig.)

  5. One picture says it all-high-pressure cells for neutron Laue diffraction on VIVALDI

    Energy Technology Data Exchange (ETDEWEB)

    McIntyre, G J [Institut Laue-Langevin, BP156, 38042 Grenoble Cedex 9 (France); Melesi, L [Institut Laue-Langevin, BP156, 38042 Grenoble Cedex 9 (France); Guthrie, M [CSEC, School of Physics, University of Edinburgh, Edinburgh EH9 3JZ (United Kingdom); Tulk, C A [Oak Ridge National Laboratory, PO Box 2008, Oak Ridge, TN 37831 (United States); Xu, J [Geophysical Laboratory, Carnegie Institute of Washington, 5251 Broad Branch Rd, NW, Washington, DC 20015 (United States); Parise, J B [Department of Geosciences, State University of New York, Stony Brook, NY 11749-2100 (United States); Department of Chemistry, State University of New York, Stony Brook, NY 11749-2100 (United States)

    2005-10-12

    Possible applications of the neutron single-crystal Laue diffraction technique with a large image-plate detector to high-pressure studies are examined. One opposed-piston cell with a Ti-Zr casing is shown to be acceptable for medium pressures. For higher pressures a moissanite-anvil cell with reasonably large accessibility is shown to offer impressive gains in data collection rate as compared to the monochromatic technique. Moreover, the projected forms of the reflections from the sample and anvils facilitate alignment, and the wide wavelength band of the Laue technique allows recovery of reflections masked by the cell pillars, simply by rotation of the cell.

  6. Neutron Diffraction Study on the Magnetic Structure of Pr6Fe13Sn

    Directory of Open Access Journals (Sweden)

    Suharyana

    2010-04-01

    Full Text Available We have successfully prepared a Pr6Fe13Sn sample by employing argon arc melting. The crystal structure of the sample has been examined by an x-ray diffraction. The x-ray pattern reveals that the sample crystallize in the tetragonal Nd6Fe13Si structure type with space group I4/mcm. Neutron diffraction at 150K performed on a powder sample shows a collinear antiferromagnetic ordering of the Fe and Pr sublattices with the wave vector (0, 0, 1 and an Ip type magnetic lattice with anti-centering translation. The main axis of antiferromagnetism is restricted to the (0 0 1 plane. The average refined Fe moments at 150 K is (2.0±0.4 µB whereas the Pr moments are (2.1±0.4 and (1.9±0.4 µB for the 8f and 16l sites, respectively

  7. Real-time observations of lithium battery reactions—operando neutron diffraction analysis during practical operation

    Science.gov (United States)

    Taminato, Sou; Yonemura, Masao; Shiotani, Shinya; Kamiyama, Takashi; Torii, Shuki; Nagao, Miki; Ishikawa, Yoshihisa; Mori, Kazuhiro; Fukunaga, Toshiharu; Onodera, Yohei; Naka, Takahiro; Morishima, Makoto; Ukyo, Yoshio; Adipranoto, Dyah Sulistyanintyas; Arai, Hajime; Uchimoto, Yoshiharu; Ogumi, Zempachi; Suzuki, Kota; Hirayama, Masaaki; Kanno, Ryoji

    2016-01-01

    Among the energy storage devices for applications in electric vehicles and stationary uses, lithium batteries typically deliver high performance. However, there is still a missing link between the engineering developments for large-scale batteries and the fundamental science of each battery component. Elucidating reaction mechanisms under practical operation is crucial for future battery technology. Here, we report an operando diffraction technique that uses high-intensity neutrons to detect reactions in non-equilibrium states driven by high-current operation in commercial 18650 cells. The experimental system comprising a time-of-flight diffractometer with automated Rietveld analysis was developed to collect and analyse diffraction data produced by sequential charge and discharge processes. Furthermore, observations under high current drain revealed inhomogeneous reactions, a structural relaxation after discharge, and a shift in the lithium concentration ranges with cycling in the electrode matrix. The technique provides valuable information required for the development of advanced batteries. PMID:27357605

  8. Real-time observations of lithium battery reactions—operando neutron diffraction analysis during practical operation

    Science.gov (United States)

    Taminato, Sou; Yonemura, Masao; Shiotani, Shinya; Kamiyama, Takashi; Torii, Shuki; Nagao, Miki; Ishikawa, Yoshihisa; Mori, Kazuhiro; Fukunaga, Toshiharu; Onodera, Yohei; Naka, Takahiro; Morishima, Makoto; Ukyo, Yoshio; Adipranoto, Dyah Sulistyanintyas; Arai, Hajime; Uchimoto, Yoshiharu; Ogumi, Zempachi; Suzuki, Kota; Hirayama, Masaaki; Kanno, Ryoji

    2016-06-01

    Among the energy storage devices for applications in electric vehicles and stationary uses, lithium batteries typically deliver high performance. However, there is still a missing link between the engineering developments for large-scale batteries and the fundamental science of each battery component. Elucidating reaction mechanisms under practical operation is crucial for future battery technology. Here, we report an operando diffraction technique that uses high-intensity neutrons to detect reactions in non-equilibrium states driven by high-current operation in commercial 18650 cells. The experimental system comprising a time-of-flight diffractometer with automated Rietveld analysis was developed to collect and analyse diffraction data produced by sequential charge and discharge processes. Furthermore, observations under high current drain revealed inhomogeneous reactions, a structural relaxation after discharge, and a shift in the lithium concentration ranges with cycling in the electrode matrix. The technique provides valuable information required for the development of advanced batteries.

  9. X-ray, synchrotron, and neutron diffraction analysis of Roman cavalry parade helmet fragment

    Energy Technology Data Exchange (ETDEWEB)

    Smrcok, L' . [Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, 84536 Bratislava (Slovakia); Petrik, I. [Geological Institute, Slovak Academy of Sciences, Dubravska cesta 9, 84005 Bratislava (Slovakia); Langer, V. [Environmental Inorganic Chemistry, Chalmers University of Technology, 412 96 Gothenburg (Sweden); Filinchuk, Y. [Swiss-Norwegian Beam Lines, European Synchrotron Radiation Facility, 6 rue Jules Horowitz, BP-220, 38043 Grenoble CEDEX (France); Beran, P. [Nuclear Physics Institute ASCR v.v.i. and Research Centre Rez Ltd., 25068 Rez (Czech Republic)

    2010-10-15

    A partially corroded fragment of the neck guard of a Roman cavalry helmet excavated in the former military camp of Gerulata, a part of the Limes Romanus on the River Danube, was analysed by laboratory X-ray, synchrotron and neutron powder diffraction. The approximate phase composition determined by the neutron diffraction of the bulk, 82% (wt) of the copper alloy phase, 12 % (wt) of cuprite and 6% of nantokite indicate a significant degree of corrosion of the artefact. Elemental EDX analysis of cleaned surface showed that the chemical composition of the original alloy is 78 to 82 % (wt) of Cu and 21.4 to 16.5 % of Zn with minute amounts of Sn, Si and S. High contents of Cu and Zn with the negligible amount of Sn showed that the body of the helmet was made of brass and not of bronze as expected before. The amount of zinc in the copper alloy calculated from the refined lattice parameter agrees fairly well with the value determined by EDX. The most abundant phase in the synchrotron powder diffraction pattern of the corrosion products scrapped from the artefact is cuprite, but presence of atacamite, malachite, brochantite, nantokite, mixed Cu-Zn hydroxyl carbonates and probably also of simonkolleite (Zn{sub 5}(OH){sub 8}Cl{sub 2}.H{sub 2}O) have been detected. In contrast, the X-ray pattern taken directly from the surface of the artefact is dominated by atacamite with some traces of malachite and quartz. Because the penetration depth of laboratory X-rays is in order of tens of microns, the phase analysis based only on a diffraction pattern taken from a surface can lead to erroneous conclusions concerning the phase composition of the patina. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. 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.

  11. Cage occupancies in the high pressure structure H methane hydrate: a neutron diffraction study.

    Science.gov (United States)

    Tulk, C A; Klug, D D; dos Santos, A M; Karotis, G; Guthrie, M; Molaison, J J; Pradhan, N

    2012-02-07

    A neutron diffraction study was performed on the CD(4) : D(2)O structure H clathrate hydrate to refine its CD(4) fractional cage occupancies. Samples of ice VII and hexagonal (sH) methane hydrate were produced in a Paris-Edinburgh press and in situ neutron diffraction data collected. The data were analyzed with the Rietveld method and yielded average cage occupancies of 3.1 CD(4) molecules in the large 20-hedron (5(12)6(8)) cages of the hydrate unit cell. Each of the pentagonal dodecahedron (5(12)) and 12-hedron (4(3)5(6)6(3)) cages in the sH unit cell are occupied with on average 0.89 and 0.90 CD(4) molecules, respectively. This experiment avoided the co-formation of Ice VI and sH hydrate, this mixture is more difficult to analyze due to the proclivity of ice VI to form highly textured crystals, and overlapping Bragg peaks of the two phases. These results provide essential information for the refinement of intermolecular potential parameters for the water-methane hydrophobic interaction in clathrate hydrates and related dense structures.

  12. Neutron diffraction study of unusual phase separation in the antiperovskite nitride Mn3ZnN.

    Science.gov (United States)

    Sun, Ying; Wang, Cong; Huang, Qingzhen; Guo, Yanfeng; Chu, Lihua; Arai, Masao; Yamaura, Kazunari

    2012-07-02

    The antiperovskite Mn(3)ZnN is studied by neutron diffraction at temperatures between 50 and 295 K. Mn(3)ZnN crystallizes to form a cubic structure at room temperature (C1 phase). Upon cooling, another cubic structure (C2 phase) appears at around 177 K. Interestingly, the C2 phase disappears below 140 K. The maximum mass concentration of the C2 phase is approximately 85% (at 160 K). The coexistence of C1 and C2 phase in the temperature interval of 140-177 K implies that phase separation occurs. Although the C1 and C2 phases share their composition and lattice symmetry, the C2 phase has a slightly larger lattice parameter (Δa ≈ 0.53%) and a different magnetic structure. The C2 phase is further investigated by neutron diffraction under high-pressure conditions (up to 270 MPa). The results show that the unusual appearance and disappearance of the C2 phase is accompanied by magnetic ordering. Mn(3)ZnN is thus a valuable subject for study of the magneto-lattice effect and phase separation behavior because this is rarely observed in nonoxide materials.

  13. Perdeuteration, purification, crystallization and preliminary neutron diffraction of an ocean pout type III antifreeze protein

    Science.gov (United States)

    Petit-Haertlein, Isabelle; Blakeley, Matthew P.; Howard, Eduardo; Hazemann, Isabelle; Mitschler, Andre; Haertlein, Michael; Podjarny, Alberto

    2009-01-01

    The highly homologous type III antifreeze protein (AFP) subfamily share the capability to inhibit ice growth at subzero temperatures. Extensive studies by X-­ray crystallography have been conducted, mostly on AFPs from polar fishes. Although interactions between a defined flat ice-binding surface and a particular lattice plane of an ice crystal have now been identified, the fine structural features underlying the antifreeze mechanism still remain unclear owing to the intrinsic difficulty in identifying H atoms using X-ray diffraction data alone. Here, successful perdeuteration (i.e. complete deuteration) for neutron crystallo­graphic studies of the North Atlantic ocean pout (Macrozoarces americanus) AFP in Escherichia coli high-density cell cultures is reported. The perdeuterated protein (AFP D) was expressed in inclusion bodies, refolded in deuterated buffer and purified by cation-exchange chromatography. Well shaped perdeuterated AFP D crystals have been grown in D2O by the sitting-drop method. Preliminary neutron Laue diffraction at 293 K using LADI-III at ILL showed that with a few exposures of 24 h a very low background and clear small spots up to a resolution of 1.85 Å were obtained using a ‘radically small’ perdeuterated AFP D crystal of dimensions 0.70 × 0.55 × 0.35 mm, corresponding to a volume of 0.13 mm3. PMID:19342793

  14. The chemical reactivity and structure of collagen studied by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Wess, T.J.; Wess, L.; Miller, A. [Univ. of Stirling (United Kingdom)

    1994-12-31

    The chemical reactivity of collagen can be studied using neutron diffraction (a non-destructive technique), for certain reaction types. Collagen contains a number of lysine and hydroxylysine side chains that can react with aldehydes and ketones, or these side chains can themselves be converted to aldehydes by lysyl oxidase. The reactivity of these groups not only has an important role in the maintenance of mechanical strength in collagen fibrils, but can also manifest pathologically in the cases of aging, diabetes (reactivity with a variety of sugars) and alcoholism (reactivity with acetaldehyde). The reactivity of reducing groups with collagen can be studied by neutron diffraction, since the crosslink formed in the adduction process is initially of a Schiff base or keto-imine nature. The nature of this crosslink allows it to be deuterated, and the position of this relatively heavy scattering atom can be used in a process of phase determination by multiple isomorphous replacement. This process was used to study the following: the position of natural crosslinks in collagen; the position of adducts in tendon from diabetic rats in vivo and the in vitro position of acetaidehyde adducts in tendon.

  15. A flow-through hydrothermal cell for in situ neutron diffraction studies of phase transformations

    Energy Technology Data Exchange (ETDEWEB)

    O' Neill, Brian [School of Chemical Engineering, The University of Adelaide, South Australia 5005 (Australia); Tenailleau, Christophe [Department of Mineralogy, South Australian Museum, North Terrace, Adelaide, South Australia 5000 (Australia); Nogthai, Yung [School of Chemical Engineering, The University of Adelaide, South Australia 5005 (Australia); Studer, Andrew [Bragg Institute, ANSTO, PMB 1 Menai, New South Wales 2234 (Australia); Brugger, Joel [Department of Mineralogy, South Australian Museum, North Terrace, Adelaide, South Australia 5000 (Australia): Department of Geology and Geophysics, The University of Adelaide, North Terrace, Adelaide, South Australia 5005 (Australia); Pring, Allan [Department of Mineralogy, South Australian Museum, North Terrace, Adelaide, South Australia 5000 (Australia): Department of Geology and Geophysics, The University of Adelaide, North Terrace, Adelaide, South Australia 5005 (Australia)]. E-mail: pring.allan@saugov.sa.gov.au

    2006-11-15

    A flow-through hydrothermal cell for the in situ neutron diffraction study of crystallisation and phase transitions has been developed. It can be used for kinetic studies on materials that exhibit structural transformations under hydrothermal conditions. It is specifically designed for use on the medium-resolution powder diffractometer (MRPD) at ANSTO, Lucas Heights, Sydney. But it is planned to adapt the design for the Polaris beamline at ISIS and the new high-intensity powder diffractometer (Wombat) at the new Australian reactor Opal. The cell will operate in a flow-through mode over the temperature range from 25-300 deg. C and up to pressures of 100 bar. The first results of a successful transformation of pentlandite (Fe,Ni){sub 9}S{sub 8} to violarite (Fe,Ni){sub 3}S{sub 4} under mild conditions (pH{approx}4) at 120 deg. C and 3 bar using in situ neutron diffraction measurements are presented.

  16. Neutron diffraction and micro-Raman scattering studies on rare-earth carbide halides

    Science.gov (United States)

    Henn, R. W.; Strach, T.; Kremer, R. K.; Simon, A.

    1998-12-01

    Neutron-diffraction experiments on powder samples and micro-Raman scattering investigations on single crystals of the layered compounds R2CxHal2, (R=Y, Gd, x=1,2, and Hal=Br, I) have been performed in order to study their static and dynamic lattice properties. For the superconductors Y2C2I2 (Tc=9.97 K) and Y2C2Br2 (Tc=5.04 K), the C-C atomic distances were obtained with high accuracy from neutron-diffraction experiments between T=1.5 and 270 K. The expected Raman-active phonons were determined from a factor-group analysis of the crystal structures. In the monocarbide Y2CBr2, the Raman-active phonons of the heavy-ion sublattices have been observed. In the dicarbide compounds R2C2Hal2, additionally, the stretching and tilting modes of the dimeric C2 units were clearly identified by analyzing spectra from natC and 13C substituted samples. The influence of the quasimolecular C2 unit on the electronic properties in the R2C2Hal2 compounds and its interaction with the surrounding metal atom octahedra is discussed.

  17. Diffraction des neutrons : principe, dispositifs expérimentaux et applications

    Science.gov (United States)

    Muller, C.

    2003-02-01

    La diffraction de neutrons, sur monocristal ou sur échantillon polycristallin (ou poudre), est une technique très largement utilisée, en science des matériaux comme en biologie, lorsque l'on souhaite déterminer la structure cristalline d'un composé ou d'une molécule. Toutefois, le degré de précision de la détermination structurale est très corrélé au choix de l'instrument utilisé. Il s'en suit que la question “comment choisir l'instrument le mieux adapté au composé et à la problématique ?" apparaît comme fondamentale. L'objectif de ce cours est de tenter de répondre à cette question en décrivant brièvement les caractéristiques instrumentales de différents diffractomètres, en exposant les avantages spécifiques des expériences de diffraction de neutrons et en donnant quelques exemples d'application.

  18. High-resolution Structures of Protein-Membrane Complexes by Neutron Reflection and MD Simulation: Membrane Association of the PTEN Tumor Suppressor

    Science.gov (United States)

    Lösche, Matthias

    2012-02-01

    The lipid matrix of biomembranes is an in-plane fluid, thermally and compositionally disordered leaflet of 5 nm thickness and notoriously difficult to characterize in structural terms. Yet, biomembranes are ubiquitous in the cell, and membrane-bound proteins are implicated in a variety of signaling pathways and intra-cellular transport. We developed methodology to study proteins associated with model membranes using neutron reflection measurements and showed recently that this approach can resolve the penetration depth and orientation of membrane proteins with ångstrom resolution if their crystal or NMR structure is known. Here we apply this technology to determine the membrane bindung and unravel functional details of the PTEN phosphatase, a key player in the PI3K apoptosis pathway. PTEN is an important regulatory protein and tumor suppressor that performs its phosphatase activity as an interfacial enzyme at the plasma membrane-cytoplasm boundary. Acting as an antagonist to phosphoinositide-3-kinase (PI3K) in cell signaling, it is deleted in many human cancers. Despite its importance in regulating the levels of the phosphoinositoltriphosphate PI(3,4,5)P3, there is little understanding of how PTEN binds to membranes, is activated and then acts as a phosphatase. We investigated the structure and function of PTEN by studying its membrane affinity and localization on in-plane fluid, thermally disordered synthetic membrane models. The membrane association of the protein depends strongly on membrane composition, where phosphatidylserine (PS) and phosphatidylinositol diphosphate (PI(4,5)P2) act synergetically in attracting the enzyme to the membrane surface. Membrane affinities depend strongly on membrane fluidity, which suggests multiple binding sites on the protein for PI(4,5)P2. Neutron reflection measurements show that the PTEN phosphatase ``scoots'' along the membrane surface (penetration phosphatase domains. In the bound state, PTEN's regulatory C-terminal tail is

  19. Probing the Hydrogen Sublattice of FeHx with High-Pressure Neutron Diffraction

    Science.gov (United States)

    Murphy, C. A.; Guthrie, M.; Boehler, R.; Somayazulu, M.; Fei, Y.; Molaison, J.; dos Santos, A. M.

    2013-12-01

    The combination of seismic, cosmochemical, and mineral physics observations have revealed that Earth's iron-rich core must contain some light elements, such as hydrogen, carbon, oxygen, silicon, and/or sulfur. Therefore, understanding the influence of these light elements on the structural, thermoelastic, and electronic properties of iron is important for constraining the composition of this remote layer of the Earth and, in turn, providing constraints on planetary differentiation and core formation models. The high-pressure structural and magnetic properties of iron hydride (FeHx) have previously been studied using synchrotron x-ray diffraction and Mössbauer spectroscopy. Such experiments revealed that the double hexagonal close-packed (dhcp) structure of FeHx is stable above a pressure of ~5 GPa and up to at least 80 GPa at 300 K [1]. In addition, dhcp-FeHx is ferromagnetic at low-pressures, but undergoes a magnetic collapse around 22 GPa [2]. X-ray experiments provide valuable insight into the properties of FeHx, but such techniques are largely sensitive to the iron component because it is difficult to detect the hydrogen sublattice with x-rays. Therefore, neutron diffraction has been used to investigate metastable FeHx, which is formed by quenching the high-pressure phase to liquid nitrogen temperatures and probing the sample at ambient pressure [3]. However, such neutron experiments have been limited to formation pressures below 10 GPa, and cannot be performed at ambient temperature. Here we present the first in-situ investigation of FeHx at 300 K using high-pressure neutron diffraction experiments performed at the Spallation Neutrons and Pressure Diffractometer (SNAP) instrument at the Spallation Neutron Source, Oak Ridge National Laboratory. In order to achieve pressures of ~50 GPa, we loaded iron samples with a hydrogen gas pressure medium into newly designed large-volume panoramic diamond-anvil cells (DACs) for neutron diffraction experiments [4; 5]. We

  20. A high resolution neutron scattering study of Tb2Mo2O7: A geometrically frustrated and disorder-free spin glass

    Energy Technology Data Exchange (ETDEWEB)

    Ehlers, Georg [ORNL; Gardner, Jason [Indiana University; Qiu, Y. [National Institute of Standards and Technology (NIST); Rule, K [Helmholtz-Zentrum Berlin; Greedan, John E [McMaster University; Stewart, John Ross [ISIS Facility, Rutherford Appleton Laboratory; Fouquet, Peter [Institut Laue-Langevin (ILL); Cornelius, A. L. [University of Nevada, Las Vegas; Adriano, Cris [ORNL; Pagliuso, P G [Instituto de Fisica Gleb Wataghin, Unicamp, Brazil

    2010-01-01

    Neutron scattering, muon spin relaxation, and de susceptibility studies have been carried out on polycrystalline Tb{sub 2}Ti{sub 2}O{sub 7}, a pyrochlore antiferromagnet in which the Tb{sup 3+} moments reside on a network of corner-sharing tetrahedra. Unlike other geometrically frustrated systems, Tb{sub 2}Ti{sub 2}O{sub 7} remains paramagnetic down to {approx}0.07 K, rather than ordering into a conventional Neel or spin-glass-like state, despite the fact that short-range antiferromagnetic correlations (AFC) develop at {approx}50 K. At the first AFC wave vector, its low-lying, relatively flat magnetic excitation spectrum softens partially below 30 K.

  1. Evaluation of the medical staff effective dose during boron neutron capture therapy using two high resolution voxel-based whole body phantoms

    Directory of Open Access Journals (Sweden)

    Mohadeseh Golshanian

    2017-10-01

    Full Text Available Because accelerator-based boron neutron capture therapy (BNCT systems are planned for use in hospitals, entry into the medical room should be controlled as hospitals are generally assumed to be public and safe places. In this paper, computational investigation of the medical staff effective dose during BNCT has been performed in different situations using Monte Carlo N-Particle (MCNP4C code and two voxel based male phantoms. The results show that the medical staff effective dose is highly dependent on the position of the medical staff. The results also show that the maximum medical staff effective dose in an emergency situation in the presence of a patient is ∼25.5 μSv/s.

  2. 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.

  3. In situ neutron diffraction study of twin reorientation and pseudoplastic strain in Ni-Mn-Ga single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Stoica, Alexandru Dan [ORNL

    2011-01-01

    Twin variant reorientation in single-crystal Ni-Mn-Ga during quasi-static mechanical compression was studied using in situ neutron diffraction. The volume fraction of reoriented twin variants for different stress amplitudes were obtained from the changes in integrated intensities of high-order neutron diffraction peaks. It is shown that, during compressive loading, {approx}85% of the twins were reoriented parallel to the loading direction resulting in a maximum pseudoplasticstrain of {approx}5.5%, which is in agreement with measured macroscopic strain.

  4. Neutron Scattering and Diffraction Studies of Fluids and Fluid-Solid Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Cole, David R [ORNL; Herwig, Kenneth W [ORNL; Mamontov, Eugene [ORNL; Larese, John Z [ORNL

    2006-01-01

    There can be no disputing the fact that neutron diffraction and scattering have made a clear contribution to our current understanding of the structural and dynamical characteristics of liquid water and water containing dissolved ions at ambient conditions and to a somewhat lesser degree other state conditions involving a change in temperature and pressure. Indeed, a molecular-level understanding of how fluids (e.g., water, CO{sub 2}, CH{sub 4}, higher hydrocarbons, etc.) interact with and participate in reactions with other solid earth materials are central to the development of predictive models that aim to quantify a wide array of geochemical processes. In the context of natural systems, interrogation of fluids and fluid-solid interactions at elevated temperatures and pressures is an area requiring much more work, particularly for complex solutions containing geochemically relevant cations, anions, and other important dissolved species such as CO{sub 2} or CH{sub 4}. We have tried to describe a series of prototypical interfacial and surface problems using neutron scattering to stimulate the thinking of earth scientists interested applying some of these approaches to confined systems of mineralogical importance. Our ability to predict the molecular-level properties of fluids and fluid-solid interactions relies heavily on the synergism between experiments such as neutron diffraction or inelastic neutron scattering and molecular-based simulations. Tremendous progress has been made in closing the gap between experimental observations and predicted behavior based on simulations due to improvements in the experimental methodologies and instrumentation on the one hand, and the development of new potential models of water and other simple and complex fluids on the other. For example there has been an emergence of studies taking advantage of advanced computing power that can accommodate the demands of ab initio molecular dynamics. On the neutron instrumentation side

  5. Neutron-diffraction measurement of the evolution of strain for non-uniform plastic deformation

    CERN Document Server

    Rogge, R B; Boyce, D

    2002-01-01

    Neutrons are particularly adept for the validation of modeling predictions of stress and strain. In recent years, there has been a significant effort to model the evolution of both the macroscopic stresses and the intergranular stress during plastic deformation. These have had broad implications with regard to understanding the evolution of residual stress and to diffraction-based measurements of strain. Generally the modeling and associated measurements have been performed for simple uniaxial tension, leaving questions with regard to plastic deformation under multi-axial stress and non-uniform stress. Extensive measurements of the strain profile across a plastic hinge for each of a series of loading and unloading cycles to progressively higher degrees of plastic deformation are presented. These measurements are used to assess multiple-length-scale finite-element modeling (FEM) of the plastic hinge, in which the elements will range in size from single crystallites (as used in successful simulations of uniaxia...

  6. Determination of the Crystal Structure of Lead Tungstate by Neutron Diffraction

    CERN Document Server

    Cousson, A; Paulus, W

    1999-01-01

    The crystal structure of lead tungstate, PbWO4, is tetragonal, scheelite type, space group I4/a. This compound, due to the difference in the vapour pressure of the two raw oxides, WO3 and PbO, used in the crystal growth, is frequently subjected to lead deficiency. It has been reported by one group that lead vacancies can order in a crystal structure derived from the scheelite type, but of lower symmetry and described by the space group P4/nnc or P-4. We report here on neutron diffraction measurements performed on three different single crystals, two of them being presented to us as possibly presenting the lead deficient phase. Our measurements do not show any indication of structural distortion, even at 70 K for one of the samples. The existence of a lead deficient structure remains unconfirmed.

  7. Neutron diffraction stress determination in W-laminates for structural divertor applications

    Directory of Open Access Journals (Sweden)

    R. Coppola

    2015-07-01

    Full Text Available Neutron diffraction measurements have been carried out to develop a non-destructive experimental tool for characterizing the crystallographic structure and the internal stress field in W foil laminates for structural divertor applications in future fusion reactors. The model sample selected for this study had been prepared by brazing, at 1085 °C, 13 W foils with 12 Cu foils. A complete strain distribution measurement through the brazed multilayered specimen and determination of the corresponding stresses has been obtained, assuming zero stress in the through-thickness direction. The average stress determined from the technique across the specimen (over both ‘phases’ of W and Cu is close to zero at −17 ± 32 MPa, in accordance with the expectations.

  8. Neutron diffraction study of the magnetic-field-induced transition in Mn3GaC

    Science.gov (United States)

    Ćakιr, Ö.; Acet, M.; Farle, M.; Senyshyn, A.

    2014-01-01

    The antiperovskite Mn3GaC undergoes an isostructural cubic-cubic first order transition from a low-temperature, large-cell-volume antiferromagnetic state to a high-temperature, small-cell-volume ferromagnetic state at around 160 K. The transition can also be induced by applying a magnetic field. We study here the isothermal magnetic-field-evolution of the transition as ferromagnetism is stabilized at the expense of antiferromagnetism. We make use of the presence of the two distinct cell volumes of the two magnetic states as a probe to observe by neutron diffraction the evolution of the transition, as the external magnetic field carries the system from the antiferromagnetic to the ferromagnetic state. We show that the large-volume antiferromagnetic and the small-volume ferromagnetic states coexist in the temperature range of the transition. The ferromagnetic state is progressively stabilized as the field increases.

  9. Neutron diffraction studies of the low-temperature magnetic structure of hexagonal FeGe

    DEFF Research Database (Denmark)

    Bernhard, J.; Lebech, Bente; Beckman, O.

    1984-01-01

    The magnetic structure of the hexagonal polymorph of FeGe has been investigated by means of neutron diffraction on single crystals at low temperature and for magnetic fields applied perpendicular to the c axis. Between 410 and approximately 55K the magnetic structure is collinear c......-axis antiferromagnetic. Below approximately 55K the structure changes to c-axis double-cone antiferromagnetic with an inter-layer turn angle for the basal-plane moment component of 194.4 degrees , independent of temperature and applied field. The cone half-angle increases with decreasing temperature to approximately 14...... degrees at 4.2K, but its temperature dependence shows a pronounced kink at 30K, indicating a phase change at this temperature. At 4.2K the authors observe an anomalous decrease of the basal-plane moment component at a critical field (B perpendicular to c) of 1.4 T. As the temperature is increased...

  10. Neutron diffraction investigation of water on MgO(001) surfaces, from monolayer to bulk condensation

    Science.gov (United States)

    Demirdjian, B.; Suzanne, J.; Ferry, D.; Coulomb, J. P.; Giordano, L.

    2000-08-01

    The structure of D 2O molecules adsorbed on MgO(001) surfaces has been studied by neutron diffraction within the 200-273 K temperature range and at coverages ( θ) of 0.93, 1.5, 4 and 20 monolayers (ML). At low coverage ( θ≤1.5 ML) and whatever the temperature, the two-dimensional (2D) analysis of the monolayer structure is compatible with the previously observed p(3×2) commensurate phase, but presenting a short coherence length of 35±5 Å. At higher coverages, we show that this 2D ordered phase coexists with the bulk phase. These results confirm the outstanding stability of the water monolayer adsorbed on MgO(001) found by recent molecular dynamics calculations.

  11. Residual stress measurements via neutron diffraction of additive manufactured stainless steel 17-4 PH

    Directory of Open Access Journals (Sweden)

    Mohammad Masoomi

    2017-08-01

    Full Text Available Neutron diffraction was employed to measure internal residual stresses at various locations along stainless steel (SS 17-4 PH specimens additively manufactured via laser-powder bed fusion (L-PBF. Of these specimens, two were rods (diameter=8 mm, length=80 mm built vertically upward and one a parallelepiped (8×80×9 mm3 built with its longest edge parallel to ground. One rod and the parallelepiped were left in their as-built condition, while the other rod was heat treated. Data presented provide insight into the microstructural characteristics of typical L-PBF SS 17-4 PH specimens and their dependence on build orientation and post-processing procedures such as heat treatment. Data have been deposited in the Data in Brief Dataverse repository (doi:10.7910/DVN/T41S3V.

  12. Characterisation of polycrystal deformation by numerical modelling and neutron diffraction measurements

    Energy Technology Data Exchange (ETDEWEB)

    Clausen, B.

    1997-09-01

    The deformation of polycrystals are modelled using three micron mechanic models; the Taylor model, the Sachs model and Hutchinson`s self-consistent (SC) model. The predictions of the rigid plastic Taylor and Sachs models are compared with the predictions of the SC model. As expected, the results of the SC model is about half-way between the upper- and lower-bound models. The influence of the elastic anisotropy is investigated by comparing the SC predictions for aluminium, copper and a hypothetical material (Hybrid) with the elastic anisotropy of copper and the Young`s modulus and hardening behaviour of aluminium. It is concluded that the effect of the elastic anisotropy is limited to the very early stages of plasticity, as the deformation pattern is almost identical for the three materials at higher strains. The predictions of the three models are evaluated by neutron diffraction measurements of elastic lattice strains in grain sub-sets within the polycrystal. The two rigid plastic models do not include any material parameters and therefore the predictions of the SC model is more accurate and more detailed than the predictions of the Taylor and Sachs models. The SC model is used to determine the most suitable reflection for technological applications of neutron diffraction, where focus is on the volume average stress state in engineering components. To be able to successfully to convert the measured elastic lattice strains for a specific reflection into overall volume average stresses, there must be a linear relation between the lattice strain of the reflection and the overall stress. According to the model predictions the 311-reflection is the most suitable reflection as it shows the smallest deviations from linearity and thereby also the smallest build-up of residual strains. The model predictions have pin pointed that the selection of the reflection is crucial for the validity of stresses calculated from the measured elastic lattice strains. (au) 14 tabs., 41

  13. Study of phase development in alumina-spodumene ceramics by high temperature neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Gan, B.K. [University of Technology, Sydney, NSW (Australia). Microstructural Analysis Unit; Latella, B.A.; Hunter, B.A. [Australian Nuclear Science and Technology Organisation (ANSTO), Lucas Heights, NSW (Australia); O`Connor, B.H. [Curtin University of Technology, Perth, WA (Australia). Department of Applied Physics

    1999-12-01

    Full text: Melting and crystallisation of minor phases are important in many material systems which contain impurities and/or grain boundary liquid phases. Grain boundary glassy phases are generally not thermodynamically stable, and can devitrify during the sintering process or from other high temperature exposure. Characterising the minor phase assemblage in these types of materials has implications in processing, microstructural design and in-service use, particularly fluctuating thermal environments. An in situ high temperature neutron diffraction (ND) technique was used to follow the phase dynamics on sintering an alumina-spodumene ceramic as well as the crystallisation kinetics of the evolving crystalline phase in real time. The main benefit of using ND analysis in the present work is that it provides bulk specimen character of the material which is important in quantitatively extracting phase composition information. Likewise, most diffraction measurements are conducted with ambient or static temperature data, collected after specimens have been heat-treated and then cooled. Such data may yield misleading information particularly in relation to non-equilibrium phases. Hence dynamic measurements are clearly preferable as a direct means of confirming sintering processes. ND measurements were performed using the High Flux Australian Reactor (HIFAR) neutron source operated by the Australian Nuclear Science and Technology Organisation (ANSTO) at Lucas Heights, NSW, Australia. The ND patterns collected on heating the compacts provided relevant information for optimising materials processing and sintering protocols. Similarly, the ND patterns collected for three specific cooling schemes yielded significant details of evolution and crystallisation of the minor phase. The principal aim was to demonstrate the fundamental influence of the minor crystalline phase (and hence glassy phase) on properties and to manipulate and tailor the phase structure by controlled

  14. Polymorphism in Photoluminescent KNdW2O8: Synthesis, Neutron Diffraction, and Raman Study

    Energy Technology Data Exchange (ETDEWEB)

    S. M. Bhat, Swetha [Materials Science Division, Poornaprajna Institute of Scientific Research, Bidalur Near Devanahalli,; Swain, Diptikanta [CPMU, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru, Karnataka, India; Feygenson, Mikhail [ORNL; Neuefeind, Joerg C [ORNL; Sundaram, Nalini [Materials Science Division, Poornaprajna Institute of Scientific Research, Bidalur Near Devanahalli,

    2014-01-01

    Polymorphs of KNdW2O8 ( -KNdW2O8 and -KNdW2O8) phosphors were synthesized by an efficient solution combustion technique for the first time. The crystal structure of the polymorphs analyzed from Rietveld refinement of neutron diffraction data confirms that -KNdW2O8 crystallizes in the tetragonal system (space group I4 ), and -KNdW2O8 crystallizes in the monoclinic system (space group C2/m). The local structure of both polymorphs was elucidated using combined neutron pair distribution function (PDF) and Raman scattering techniques. Photoluminescence measurements of the polymorphs showed broadened emission line width and increased intensity for -KNdW2O8 in the visible region compared to -KNdW2O8. This phenomenon is attributed to the increased distortion in the coordination environment of the luminescing Nd3+ ion. Combined PDF, Rietveld, and Raman measurements reveal distortions of the WO6 octahedra and NdO8 polyhedra in -KNdW2O8. This crystal structure photoluminescence study suggests that this class of tungstates can be exploited for visible light emitting devices by tuning the crystal symmetry.

  15. Residual stress determination in a dissimilar weld overlay pipe by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Woo, Wanchuck, E-mail: chuckwoo@kaeri.re.kr [Neutron Science Division, Korea Atomic Energy Research Institute, Daejeon 305-353 (Korea, Republic of); Em, Vyacheslav [Neutron Science Division, Korea Atomic Energy Research Institute, Daejeon 305-353 (Korea, Republic of); Hubbard, Camden R. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Lee, Ho-Jin [Nuclear Materials Research Center, Korea Atomic Energy Research Institute, Daejeon 305-353 (Korea, Republic of); Park, Kwang Soo [Corporate R and D Institute, Doosan Heavy Industries and Construction, Changwon 641-792 (Korea, Republic of)

    2011-10-15

    Highlights: {yields} Determined residual stress distribution in a dissimilar weld overlay pipe. {yields} Consists of a ferritic (SA508), austenitic (F316L) steels, Alloy 182 consumable. {yields} Measured significant compression (-600 MPa) near the inner wall of overlay. {yields} Validate integrity of the inner wall for the pressurized nozzle nuclear structure. - Abstract: Residual stresses were determined through the thickness of a dissimilar weld overlay pipe using neutron diffraction. The specimen has a complex joining structure consisting of a ferritic steel (SA508), austenitic steel (F316L), Ni-based consumable (Alloy 182), and overlay of Ni-base superalloy (Alloy 52M). It simulates pressurized nozzle components, which have been a critical issue under the severe crack condition of nuclear power reactors. Two neutron diffractometers with different spatial resolutions have been utilized on the identical specimen for comparison. The macroscopic 'stress-free' lattice spacing (d{sub o}) was also obtained from both using a 2-mm width comb-like coupon. The results show significant changes in residual stresses from tension (300-400 MPa) to compression (-600 MPa) through the thickness of the dissimilar weld overlay pipe specimen.

  16. Magnetostructural transition in Fe{sub 5}SiB{sub 2} observed with neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cedervall, Johan, E-mail: johan.cedervall@kemi.uu.se [Department of Chemistry - Ångström Laboratory, Uppsala University, Box 538, 751 21 Uppsala (Sweden); Kontos, Sofia [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Hansen, Thomas C. [Institut Laue-Langevin, B.P. 156, 38042 Grenoble Cedex 9 (France); Balmes, Olivier; Martinez-Casado, Francisco Javier; Matej, Zdenek [MAX IV Laboratory, Lund University, Box 118, 221 00 Lund (Sweden); Beran, Premysl [Nuclear Physics Institute, Academy of Sciences of the Czech Republic, 25068 Rez (Czech Republic); Svedlindh, Peter; Gunnarsson, Klas [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Sahlberg, Martin [Department of Chemistry - Ångström Laboratory, Uppsala University, Box 538, 751 21 Uppsala (Sweden)

    2016-03-15

    The crystal and magnetic structure of Fe{sub 5}SiB{sub 2} has been studied by a combination of X-ray and neutron diffraction. Also, the magnetocrystalline anisotropy energy constant has been estimated from magnetisation measurements. High quality samples have been prepared using high temperature synthesis and subsequent heat treatment protocols. The crystal structure is tetragonal within the space group I4/mcm and the compound behaves ferromagnetically with a Curie temperature of 760 K. At 172 K a spin reorientation occurs in the compound and the magnetic moments go from aligning along the c-axis (high T) down to the ab-plane (low T). The magnetocrystalline anisotropy energy constant has been estimated to 0.3 MJ/m{sup 3} at 300 K. - Highlights: • The crystal and magnetic structure of Fe{sub 5}SiB{sub 2} has been studied by diffraction. • At 172 K a spin reorientation occurs in the compound. • The magnetic moments are aligned along the c-axis at high T. • The magnetic moments are aligned in the ab-plane at low T. • The magnetocrystalline anisotropy energy constant has been estimated to 0.3 MJ/m{sup 3}.

  17. Potassium Disorder in the Defect Pyrochlore KSbTeO6: A Neutron Diffraction Study

    Directory of Open Access Journals (Sweden)

    José Antonio Alonso

    2017-01-01

    Full Text Available KSbTeO6 defect pyrochlore has been prepared from K2C2O4, Sb2O3, and 15% excess TeO2 by solid-state reaction at 850 °C. Direct methods implemented in the software EXPO2013 allowed establishing the basic structural framework. This was followed by a combined Rietveld refinement from X-ray powder diffraction (XRD and neutron powder diffraction (NPD data, which unveiled additional structural features. KSbTeO6 is cubic, a = 10.1226(7 Å, space group F d 3 ¯ m , Z = 8 and it is made of a mainly covalent framework of corner-sharing (Sb,TeO6 octahedra, with weakly bonded K+ ions located within large cages. The large K-O distances, 3.05(3–3.07(3 Å, and quite large anisotropic atomic displacement parameters account for the easiness of K+ exchange for other cations of technological importance.

  18. 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.

  19. Magnetic ordering in electronically phase-separated La2-xSrxCuO4+y: Neutron diffraction experiments

    DEFF Research Database (Denmark)

    Udby, Linda; Andersen, Niels Hessel; Chou, F.C.

    2009-01-01

    We present results of magnetic neutron diffraction experiments on the codoped superoxygenated La2-xSrxCuO4+y (LSCO+O) system with x=0.09. We find that the magnetic phase is long-range ordered incommensurate antiferromagnetic with a Neacuteel temperature T-N coinciding with the superconducting...

  20. Non-destructive Quantitative Phase Analysis and Microstructural Characterization of Zirconium Coated U-10Mo Fuel Foils via Neutron Diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cummins, Dustin Ray [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Vogel, Sven C. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hollis, Kendall Jon [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Brown, Donald William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dombrowski, David E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-10-18

    This report uses neutron diffraction to investigate the crystal phase composition of uranium-molybdenum alloy foils (U-10Mo) for the CONVERT MP-1 Reactor Conversion Project, and determines the effect on alpha-uranium contamination following the deposition of a Zr metal diffusion layer by various methods: plasma spray deposition of Zr powders at LANL and hot co-rolling with Zr foils at BWXT. In summary, there is minimal decomposition of the gamma phase U-10Mo foil to alpha phase contamination following both plasma spraying and hot co-rolling. The average unit cell volume, i.e. lattice spacing, of the Zr layer can be mathematically extracted from the diffraction data; co-rolled Zr matches well with literature values of bulk Zr, while plasma sprayed Zr shows a slight increase in the lattice spacing, indicative of interstitial oxygen in the lattice. Neutron diffraction is a beneficial alternative to conventional methods of phase composition, i.e. x ray diffraction (XRD) and destructive metallography. XRD has minimal penetration depth in high atomic number materials, particularly uranium, and can only probe the first few microns of the fuel plate; neutrons pass completely through the foil, allowing for bulk analysis of the foil composition and no issues with addition of cladding layers, as in the final, aluminum-clad reactor fuel plates. Destructive metallography requires skilled technicians, cutting of the foil into small sections, hazardous etching conditions, long polishing and microscopy times, etc.; the neutron diffraction system has an automated sample loader and can fit larger foils, so there is minimal analysis preparation; the total spectrum acquisition time is ~ 1 hour per sample. The neutron diffraction results are limited by spectra refinement/calculation times and the availability of the neutron beam source. In the case of LANSCE at Los Alamos, the beam operates ~50% of the year. Following the lessons learned from these preliminary results, optimizations to

  1. Neutron diffraction study of La 4LiAuO 8: Understanding Au 3+ in an oxide environment

    Science.gov (United States)

    Kurzman, Joshua A.; Moffitt, Stephanie L.; Llobet, Anna; Seshadri, Ram

    2011-06-01

    Owing to gold's oxophobicity, its oxide chemistry is rather limited, and elevated oxygen pressures are usually required to prepare ternary and quaternary oxide compounds with gold ions. The Au 3+ oxide, La 4LiAuO 8, is remarkable both because it can be prepared at ambient pressure in air, and because of its unusual stability toward thermal decomposition and reduction. The structure of La 4LiAuO 8 was established by Pietzuch et al. using single crystal X-ray diffraction [1]. The compound adopts an ordered modification of the Nd 2CuO 4 structure, containing two-dimensional sheets in which AuO 4 square planes are separated from one another by LiO 4 square planes. In light of the meager X-ray scattering factors of Li and O, relative to La and Au, we report here a neutron powder diffraction study of La 4LiAuO 8, definitively confirming the structure. To our knowledge, this is the first reported neutron diffraction study of any stoichiometric oxide compound of gold. X- N maps, which make use of nuclear positions obtained from Rietveld refinement of time-of-flight neutron diffraction data and electron densities obtained from synchrotron X-ray powder diffraction data, point to the highly covalent nature of the Au-O bonding in La 4LiAuO 8. This is in good agreement with charge densities and Bader charges obtained from full density functional relaxation of the structure.

  2. Six-axis multi-anvil press for high-pressure, high-temperature neutron diffraction experiments

    Energy Technology Data Exchange (ETDEWEB)

    Sano-Furukawa, A., E-mail: sano.asami@jaea.go.jp; Hattori, T. [Quantum Beam Science Center, Japan Atomic Energy Agency, Ibaraki 319-1195 (Japan); J-PARC Center, Japan Atomic Energy Agency, Ibaraki 319-1195 (Japan); Arima, H. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Yamada, A. [The University of Shiga Prefecture, Shiga 522-8533 (Japan); Tabata, S.; Kondo, M.; Nakamura, A. [Sumitomo Heavy Industries Co., Ltd., Ehime 792-0001 (Japan); Kagi, H.; Yagi, T. [Geochemical Research Center, Graduate School of Science, The University of Tokyo, Tokyo 113-0033 (Japan)

    2014-11-15

    We developed a six-axis multi-anvil press, ATSUHIME, for high-pressure and high-temperature in situ time-of-flight neutron powder diffraction experiments. The press has six orthogonally oriented hydraulic rams that operate individually to compress a cubic sample assembly. Experiments indicate that the press can generate pressures up to 9.3 GPa and temperatures up to 2000 K using a 6-6-type cell assembly, with available sample volume of about 50 mm{sup 3}. Using a 6-8-type cell assembly, the available conditions expand to 16 GPa and 1273 K. Because the six-axis press has no guide blocks, there is sufficient space around the sample to use the aperture for diffraction and place an incident slit, radial collimators, and a neutron imaging camera close to the sample. Combination of the six-axis press and the collimation devices realized high-quality diffraction pattern with no contamination from the heater or the sample container surrounding the sample. This press constitutes a new tool for using neutron diffraction to study the structures of crystals and liquids under high pressures and temperatures.

  3. Six-axis multi-anvil press for high-pressure, high-temperature neutron diffraction experiments.

    Science.gov (United States)

    Sano-Furukawa, A; Hattori, T; Arima, H; Yamada, A; Tabata, S; Kondo, M; Nakamura, A; Kagi, H; Yagi, T

    2014-11-01

    We developed a six-axis multi-anvil press, ATSUHIME, for high-pressure and high-temperature in situ time-of-flight neutron powder diffraction experiments. The press has six orthogonally oriented hydraulic rams that operate individually to compress a cubic sample assembly. Experiments indicate that the press can generate pressures up to 9.3 GPa and temperatures up to 2000 K using a 6-6-type cell assembly, with available sample volume of about 50 mm(3). Using a 6-8-type cell assembly, the available conditions expand to 16 GPa and 1273 K. Because the six-axis press has no guide blocks, there is sufficient space around the sample to use the aperture for diffraction and place an incident slit, radial collimators, and a neutron imaging camera close to the sample. Combination of the six-axis press and the collimation devices realized high-quality diffraction pattern with no contamination from the heater or the sample container surrounding the sample. This press constitutes a new tool for using neutron diffraction to study the structures of crystals and liquids under high pressures and temperatures.

  4. Neutron diffraction studies of magnetic ordering in Ni-doped LaCoO3

    Science.gov (United States)

    Rajeevan, N. E.; Kumar, Vinod; Kumar, Rajesh; Kumar, Ravi; Kaushik, S. D.

    2015-11-01

    Research in rare earth cobaltite has recently been intensified due to its fascinating magnetic properties. LaCoO3, an important cobaltite, exhibits two prominent susceptibility features at 90 K and 500 K in low field measurement. The magnetic behavior below 100 K is predominantly antiferromagnetic (AFM), but absence of pure AFM ordering and emergence of ferromagnetic coupling on further decreasing temperature made situation more intricate. The present work of studying the effect of Ni substitution at Co site in polycrystalline LaCo1-xNixO3 (0≤x≤0.3) is motivated by the interesting changes in magnetic and electronic properties. For lucid understanding, temperature dependent neutron diffraction (ND) study was carried out. ND patterns fitted with rhombohedral structure in perovskite form with R-3c space group, elucidated information on phase purity. Further temperature dependent cell parameter, Co-O bond-length and Co-O-Co bond angle were calculated for the series of Ni doped LaCoO3. The results are explained in terms of decrease in the crystal field energy which led to the transition of cobalt from low Spin (LS) state to intermediate spin state (IS).

  5. Structural refinement of delithiated LiVO/sub 2/ by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Thackeray, M.M.; de Picciotto, L.A.; David, W.I.F.; Bruce, P.G.; Goodenough, J.B.

    1987-04-01

    Lithium has been extracted from the layered compound LiVO/sub 2/ by chemical oxidation with bromine. Previous X-ray data have shown that in Li/sub 1-x/VO/sub 2/ lithium extraction beyond x approx. = 0.33 is accompanied by migration of one-third of the vanadium ions into the lithium-deficient layer to stabilize the structure; little information about the location of the lithium ions could be gathered from this data. The neutron diffraction data presented in this paper show that at a composition Li/sub 0.22/VO/sub 2/, determined by atomic absorption spectroscopy, the residual lithium ions are distributed over the octahedral sites of the original lithium layer; the possibility that a small fraction of the lithium ions partially occupy the tetrahedral istes in this layer cannot be discounted. No significant occupation by lithium of the tetrahedral or octahedral vacancies in the vanadium-rich layer could be detected.

  6. Structure and dynamics of cholesterol-containing polyunsaturated lipid membranes studied by neutron diffraction and NMR.

    Science.gov (United States)

    Mihailescu, Mihaela; Soubias, Olivier; Worcester, David; White, Stephen H; Gawrisch, Klaus

    2011-01-01

    A direct and quantitative analysis of the internal structure and dynamics of a polyunsaturated lipid bilayer composed of 1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine (18:0-22:6n3-PC) containing 29 mol% cholesterol was carried out by neutron diffraction, (2)H-NMR and (13)C-MAS NMR. Scattering length distribution functions of cholesterol segments as well as of the sn-1 and sn-2 hydrocarbon chains of 18:0-22:6n3-PC were obtained by conducting experiments with specifically deuterated cholesterol and lipids. Cholesterol orients parallel to the phospholipids, with the A-ring near the lipid glycerol and the terminal methyl groups 3 Å away from the bilayer center. Previously, we reported that the density of polyunsaturated docosahexaenoic acid (DHA, 22:6n3) chains was higher near the lipid-water interface. Addition of cholesterol partially redistributes DHA density from near the lipid-water interface to the center of the hydrocarbon region. Cholesterol raises chain-order parameters of both stearic acid and DHA chains. The fractional order increase for stearic acid methylene carbons C(8)-C(18) is larger, reflecting the redistribution of DHA chain density toward the bilayer center. The correlation times of DHA chain isomerization are short and mostly unperturbed by the presence of cholesterol. The uneven distribution of saturated and polyunsaturated chain densities and the cholesterol-induced balancing of chain distributions may have important implications for the function and integrity of membrane receptors, such as rhodopsin.

  7. In situ observation of the reaction of scandium and carbon by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Juarez-Arellano, Erick A., E-mail: eajuarez@unpa.edu.m [Institut fuer Geowissenschaften, Universitaet Frankfurt, Altenhoeferallee 1, 60438 Frankfurt a.M. (Germany); Universidad del Papaloapan, Circuito Central 200, Parque Industrial, Tuxtepec 68301 (Mexico); Winkler, Bjorn [Institut fuer Geowissenschaften, Universitaet Frankfurt, Altenhoeferallee 1, 60438 Frankfurt a.M. (Germany); Vogel, Sven C. [Los Alamos National Laboratory, Lujan Center. Mail Stop H805, Los Alamos, NM 87545 (United States); Senyshyn, Anatoliy [Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), Technische Universitaet Muenchen, Lichtenbergstr. 1, D-85747 Garching (Germany); Materialwissenschaft, TU Darmstadt, Petersensstr. 23, D-64287 Darmstadt (Germany); Kammler, Daniel R. [Sandia National Laboratories, Albuquerque, NM 87185 (United States); Avalos-Borja, Miguel [CNyN, UNAM, A. Postal 2681, Ensenada, B.C. (Mexico)

    2011-01-05

    Research highlights: {yields} Exist two ScC cubic phases with B1-structure type differing in site occupancy of C. {yields} A new orthorhombic scandium carbide phase is formed at 1473(50) K. {yields} The recrystallization of alpha-Sc occurs between 1000 and 1223 K. - Abstract: The formation of scandium carbides by reaction of the elements has been investigated by in situ neutron diffraction up to 1823 K. On heating, the recrystallization of {alpha}-Sc occurs between 1000 and 1223 K. The formation of Sc{sub 2}C and ScC (NaCl-B1 type structure) phases has been detected at 1323 and 1373 K, respectively. The formation of a new orthorhombic scandium carbide phase was observed at 1473(50) K. Once the scandium carbides are formed they are stable upon heating or cooling. No other phases were detected in the present study, in which the system was always carbon saturated. The thermal expansion coefficients of all phases have been determined, they are constant throughout the temperature interval studied.

  8. Distribution of Drug Molecules in Lipid Membranes: Neutron Diffraction and MD Simulations.

    Science.gov (United States)

    Boggara, Mohan; Mihailescu, Ella; Krishnamoorti, Ramanan

    2009-03-01

    Non-steroidal anti-inflammatory drugs (NSAIDs) e.g. Aspirin and Ibuprofen, with chronic usage cause gastro intestinal (GI) toxicity. It has been shown experimentally that NSAIDs pre-associated with phospholipids reduce the GI toxicity and also increase the therapeutic activity of these drugs compared to the unmodified ones. In this study, using neutron diffraction, the DOPC lipid bilayer structure (with and without drug) as well as the distribution of a model NSAID (Ibuprofen) as a function of its position along the membrane normal was obtained at sub-nanometer resolution. It was found that the bilayer thickness reduces as the drug is added. Further, the results are successfully compared with atomistic Molecular Dynamics simulations. Based on this successful comparison and motivated by atomic details from MD, quasi-molecular modeling of the lipid membrane is being carried out and will be presented. The above study is expected to provide an effective methodology to design drug delivery nanoparticles based on a variety of soft condensed matter such as lipids or polymers.

  9. Neutron diffraction studies of the interaction between amphotericin B and lipid-sterol model membranes

    Science.gov (United States)

    Foglia, Fabrizia; Lawrence, M. Jayne; Demeė, Bruno; Fragneto, Giovanna; Barlow, David

    2012-10-01

    Over the last 50 years or so, amphotericin has been widely employed in treating life-threatening systemic fungal infections. Its usefulness in the clinic, however, has always been circumscribed by its dose-limiting side-effects, and it is also now compromised by an increasing incidence of pathogen resistance. Combating these problems through development of new anti-fungal agents requires detailed knowledge of the drug's molecular mechanism, but unfortunately this is far from clear. Neutron diffraction studies of the drug's incorporation within lipid-sterol membranes have here been performed to shed light on this problem. The drug is shown to disturb the structures of both fungal and mammalian membranes, and co-localises with the membrane sterols in a manner consistent with trans-membrane pore formation. The differences seen in the membrane lipid ordering and in the distributions of the drug-ergosterol and drug-cholesterol complexes within the membranes are consistent with the drug's selectivity for fungal vs. human cells.

  10. Residual stress determination in thermally sprayed metallic deposits by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Thomas; Margadant, Nikolaus; Pirling, Thilo; Riegert-Escribano, Maria J.; Wagner, Werner

    2004-05-25

    Neutron diffraction was used to obtain spatially resolved strain and stress profiles in thermally sprayed metallic 'NiCrAlY' deposits (chemical composition 67 wt.% Ni, 22 wt.% Cr, 10 wt.% Al, 1 wt.% Y) and the underlying steel substrates. Samples of four different spray techniques were analyzed: atmospheric and water stabilized plasma spraying (APS and WSP), flame spraying (FS) and wire arc spraying (WAS). The results are quantitatively compared with the average in-plane residual stress determined by complementary bending tests and the hole drilling technique. While the stress profiles from the surface to the interface in the deposits are similar for all investigated spray techniques, their absolute values and gradients vary strongly. This is attributed to different quenching stresses from the impinging particles, different thermal histories the deposit/substrate systems undergo during the spraying and subsequent cooling, and also to different coating properties. In the water stabilized plasma sprayed and the wire arc sprayed deposits, a gradient in the stress-free lattice parameter was observed. Crack formation is found to be a dominant mechanism for stress relaxation in the surface plane.

  11. Neutron-diffraction studies of the nuclear magnetic phase diagram of copper

    DEFF Research Database (Denmark)

    Annila, A.J.; Clausen, Kurt Nørgaard; Oja, A.S.

    1992-01-01

    -field phase and the intermediate-field structure is of first order. The change from (0 2/3 2/3) at intermediate fields to (100) at zero field is associated with a large region (0.02 less-than-or-equal-to B less-than-or-equal-to 0.06 mT) of coexisting-(100) and (0 2/3 2/3)-type Bragg peaks, and can......We have studied the spontaneous antiferromagnetic (AF) order in the nuclear spin system of copper by use of neutron-diffraction experiments at nanokelvin temperatures. Copper is an ideal model system as a nearest-neighbor-dominated spin-3/2 fcc antiferromagnet. The phase diagram has been...... investigated by measuring the magnetic-field dependence of the (100) reflection, characteristic of a type-I AF structure, and of a Bragg peak at (0 2/3 2/3). The results suggest the presence of high-field (100) phases at 0.12 less-than-or-equal-to B less-than-or-equal-to B(c) almost-equal-to 0.26 mT, for B...

  12. 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.

  13. Thermal expansion and decomposition of jarosite: a high-temperature neutron diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Hongwu [Los Alamos National Laboratory; Zhao, Yusheng [Los Alamos National Laboratory; Vogel, Sven C [Los Alamos National Laboratory; Hickmott, Donald D [Los Alamos National Laboratory; Daemen, Luke L [Los Alamos National Laboratory; Hartl, Monika A [Los Alamos National Laboratory

    2009-01-01

    The structure of deuterated jarosite, KFe{sub 3}(SO{sub 4}){sub 2}(OD){sub 6}, was investigated using time-of-flight neutron diffraction up to its dehydroxylation temperature. Rietveld analysis reveals that with increasing temperature, its c dimension expands at a rate {approx}10 times greater than that for a. This anisotropy of thermal expansion is due to rapid increase in the thickness of the (001) sheet of [Fe(O,OH){sub 6}] octahedra and [SO{sub 4}] tetrahedra with increasing temperature. Fitting of the measured cell volumes yields a coefficient of thermal expansion, a = a{sub 0} + a{sub 1} T, where a{sub 0} = 1.01 x 10{sup -4} K{sup -1} and a{sub 1} = -1.15 x 10{sup -7} K{sup -2}. On heating, the hydrogen bonds, O1{hor_ellipsis}D-O3, through which the (001) octahedral-tetrahedral sheets are held together, become weakened, as reflected by an increase in the D{hor_ellipsis}O1 distance and a concomitant decrease in the O3-D distance with increasing temperature. On further heating to 575 K, jarosite starts to decompose into nanocrystalline yavapaiite and hematite (as well as water vapor), a direct result of the breaking of the hydrogen bonds that hold the jarosite structure together.

  14. X-Ray and Neutron Diffraction Study of CaBi 2O 4

    Science.gov (United States)

    Sora, I. Natali; Wong-Ng, W.; Huang, Q.; Roth, R. S.; Rawn, C. J.; Burton, B. P.; Santoro, A.

    1994-04-01

    The crystal structure of the 1:1 CaO-Bi 2O 3 compound (CaBi 2O 4) has been determined by single crystal X-ray and neutron powder diffraction techniques. The compound crystallizes with the symmetry of the monoclinic space group C2/ c and lattice parameters a = 16.6130(5) Å, b = 11.5900(4) Å, c = 13.9939(4) Å, β = 134.048(1)°. The structure consists of sheets parallel to the b-c plane and connected by Ca-O bonds. There is a structural unit in each layer consisting of four Bi atoms, ten oxygen atoms, and two calcium atoms. The Bi atoms are fourfold coordinated and the coordination polyhedron may be described as a short distorted pyramid, open on one end to accommodate the lone-pair electrons of the bismuth atoms. Calcium is seven-coordinated and the coordination polyhedron may be described as a monocapped trigonal prism.

  15. Single crystal polarized neutron diffraction study of the magnetic structure of HoFeO3

    Science.gov (United States)

    Chatterji, T.; Stunault, A.; Brown, P. J.

    2017-09-01

    Polarised neutron diffraction measurements have been made on HoFeO3 single crystals magnetised in both the [0 0 1] and [1 0 0] directions (Pbnm setting). The polarisation dependencies of Bragg reflection intensities were measured both with a high field of H = 9 T parallel to [0 0 1] at T = 70 K and with the lower field H = 0.5 T parallel to [1 0 0] at T = 5, 15, 25 K. A Fourier projection of magnetization induced parallel to [0 0 1], made using the hk0 reflections measured in 9 T, indicates that almost all of it is due to alignment of Ho moments. Further analysis of the asymmetries of general reflections in these data showed that although, at 70 K, 9 T applied parallel to [0 0 1] hardly perturbs the antiferromagnetic order of the Fe sublattices, it induces significant antiferromagnetic order of the Ho sublattices in the x-y plane, with the antiferromagnetic components of moment having the same order of magnitude as the induced ferromagnetic ones. Strong intensity asymmetries measured in the low temperature Γ2 structure with a lower field, 0.5 T \\Vert [1 0 0] allowed the variation of the ordered components of the Ho and Fe moments to be followed. Their absolute orientations, in the \

  16. Neutron diffraction residual stress analysis of Al2O3/Y-TZP ceramic composites

    Directory of Open Access Journals (Sweden)

    Kunyang Fan

    2016-01-01

    Full Text Available Residual stress measurements were conducted by time-of-flight neutron diffraction and Rietveld analysis method in Al2O3/Y-TZP ceramic composites fabricated by different green processing techniques (a novel tape casting and conventional slip casting and with different Y-TZP content (5 and 40 vol.% Y-TZP. The results show that the residual stresses in Y-TZP particulates are tensile and the ones in Al2O3 matrix are compressive, with almost flat through-thickness residual stress profiles in all bulk samples. As Y-TZP content increased, tension in Y-TZP phase was decreased but compression in Al2O3 matrix was increased (in absolute value. The values of residual stresses for both phases were mainly dependent on the Y-TZP content in the studied Al2O3/Y-TZP composites, irrespective of sample orientation and fabrication processes (a novel tape casting and conventional slip casting.

  17. Optimization of spring exchange coupled ferrites, studied by in situ neutron diffraction

    DEFF Research Database (Denmark)

    Ahlburg, Jakob; Christensen, Mogens; Granados-Miralles, Cecilia

    the 3d orbitals but these can only contain up to 10 electrons. This means that other measures have to be done in order to compete with the REM magnets. One prominent method is mixing a hard and a soft magnetic phase, on the nanoscale, to achieve an exchange coupling between the phases and enhancing...... the magnetic energy product. For the exchange coupling to happen it is crucial to have the right ratio between the hard and the soft phase but also to control the size of the particles since exchange coupling is a very small range effect. In this study, nanoparticles of the spinel CoFe2O4 (hard magnet......) is reduced to a metallic alloy CoFe (soft magnet) by heating the sample and flowing it with hydrogen gas. It is studied in situ using neutron powder diffraction with a time resolution of 12 min. The transition from spinel to pure metal goes through an intermediate step of a metal oxide before being fully...

  18. Determination of crystallographic young’s modulus for sheet metals by in situ neutron diffraction

    Science.gov (United States)

    Vitzthum, S. J.; Hartmann, C.; Weiss, H. A.; Baumgartner, G.; Hofmann, M.; Volk, W.

    2017-09-01

    Elastic recovery is an important issue in sheet metal forming, especially in the context of the upcoming use of high strength steels due to shifted relations between Young’s modulus and strength. One important factor when it comes to elastic recovery prediction is a deep understanding for the elasto-plastic characteristics of the material. Today in general simple elastic behavior with constant Young’s modulus and Poisson’s ratio is assumed. Macroscopic analysis in standard tests shows that these assumptions are insufficient for an appropriate prediction of elastic recovery in sheet metal forming, which is why different phenomenological correlation models are derived. An experimental setup and microscopic investigation to further prove these models and to verify the approaches on another scale for sheet metals is presented within this paper. In the study microscopic deformation behavior of loading and unloading of a HC260LA sheet metal is analysed using in-situ neutron diffraction. Based on the lattice plane strains an orientation specific crystallographic Young’s modulus for different rolling directions is determined.

  19. Use of a miniature diamond-anvil cell in high-pressure single-crystal neutron Laue diffraction

    Directory of Open Access Journals (Sweden)

    Jack Binns

    2016-05-01

    Full Text Available The first high-pressure neutron diffraction study in a miniature diamond-anvil cell of a single crystal of size typical for X-ray diffraction is reported. This is made possible by modern Laue diffraction using a large solid-angle image-plate detector. An unexpected finding is that even reflections whose diffracted beams pass through the cell body are reliably observed, albeit with some attenuation. The cell body does limit the range of usable incident angles, but the crystallographic completeness for a high-symmetry unit cell is only slightly less than for a data collection without the cell. Data collections for two sizes of hexamine single crystals, with and without the pressure cell, and at 300 and 150 K, show that sample size and temperature are the most important factors that influence data quality. Despite the smaller crystal size and dominant parasitic scattering from the diamond-anvil cell, the data collected allow a full anisotropic refinement of hexamine with bond lengths and angles that agree with literature data within experimental error. This technique is shown to be suitable for low-symmetry crystals, and in these cases the transmission of diffracted beams through the cell body results in much higher completeness values than are possible with X-rays. The way is now open for joint X-ray and neutron studies on the same sample under identical conditions.

  20. Use of a miniature diamond-anvil cell in high-pressure single-crystal neutron Laue diffraction.

    Science.gov (United States)

    Binns, Jack; Kamenev, Konstantin V; McIntyre, Garry J; Moggach, Stephen A; Parsons, Simon

    2016-05-01

    The first high-pressure neutron diffraction study in a miniature diamond-anvil cell of a single crystal of size typical for X-ray diffraction is reported. This is made possible by modern Laue diffraction using a large solid-angle image-plate detector. An unexpected finding is that even reflections whose diffracted beams pass through the cell body are reliably observed, albeit with some attenuation. The cell body does limit the range of usable incident angles, but the crystallographic completeness for a high-symmetry unit cell is only slightly less than for a data collection without the cell. Data collections for two sizes of hexamine single crystals, with and without the pressure cell, and at 300 and 150 K, show that sample size and temperature are the most important factors that influence data quality. Despite the smaller crystal size and dominant parasitic scattering from the diamond-anvil cell, the data collected allow a full anisotropic refinement of hexamine with bond lengths and angles that agree with literature data within experimental error. This technique is shown to be suitable for low-symmetry crystals, and in these cases the transmission of diffracted beams through the cell body results in much higher completeness values than are possible with X-rays. The way is now open for joint X-ray and neutron studies on the same sample under identical conditions.

  1. Residual stress in a laser welded EUROFER blanket module assembly using non-destructive neutron diffraction techniques

    CERN Document Server

    Hughes, D J; Heeley, E L

    2014-01-01

    Whilst the structural integrity and lifetime considerations in welded joints for blanket modules can be predicted using finite element software, it is essential to prove the validity of these simulations. This paper provides detailed analysis for the first time, of the residual stress state in a laser-welded sample with integral cooling channels. State-of-the-art non-destructive neutron diffraction was employed to determine the triaxial stress state and to understand microstructural changes around the heat affected zone. Synchrotron X-ray diffraction was used to probe the variation of strain-free lattice reference parameter around the weld zone allowing correction of the neutron measurements. This paper details an important experimental route to validation of predicted stresses in complex safety-critical reactor components for future applications.

  2. Residual stress characterization of steel TIG welds by neutron diffraction and by residual magnetic stray field mappings

    Energy Technology Data Exchange (ETDEWEB)

    Stegemann, Robert, E-mail: Robert.Stegemann@bam.de [Bundesanstalt für Materialforschung und -prüfung (BAM), Unter den Eichen 87, 12200 Berlin (Germany); Cabeza, Sandra; Lyamkin, Viktor; Bruno, Giovanni; Pittner, Andreas [Bundesanstalt für Materialforschung und -prüfung (BAM), Unter den Eichen 87, 12200 Berlin (Germany); Wimpory, Robert; Boin, Mirko [HZB Helmholtz-Zentrum Berlin, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Kreutzbruck, Marc [Bundesanstalt für Materialforschung und -prüfung (BAM), Unter den Eichen 87, 12200 Berlin (Germany); IKT, University of Stuttgart, Pfaffenwaldring 32, 70569 Stuttgart (Germany)

    2017-03-15

    The residual stress distribution of tungsten inert gas welded S235JRC+C plates was determined by means of neutron diffraction (ND). Large longitudinal residual stresses with maxima around 600 MPa were found. With these results as reference, the evaluation of residual stress with high spatial resolution GMR (giant magneto resistance) sensors was discussed. The experiments performed indicate a correlation between changes in residual stresses (ND) and the normal component of local residual magnetic stray fields (GMR). Spatial variations in the magnetic field strength perpendicular to the welds are in the order of the magnetic field of the earth. - Highlights: • Comparison of magnetic microstructure with neutron diffraction stress analysis. • High spatial resolution magnetic stray field images of hypereutectoid TIG welds. • Spatial variations of the stray fields are below the magnetic field of the earth. • GMR spin valve gradiometer arrays adapted for the evaluation of magnetic microstructures. • Magnetic stray fields are closely linked to microstructure of the material.

  3. 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.

  4. Fluid bilayer structure determination: Joint refinement in composition space using X-ray and neutron diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    White, S.H. [Univ. of California, Irvine, CA (United States); Wiener, M.C. [Univ. of California, San Francisco, CA (United States)

    1994-12-31

    Experimentally-determined structural models of fluid lipid bilayers are essential for verifying molecular dynamics simulations of bilayers and for understanding the structural consequences of peptide interactions. The extreme thermal motion of bilayers precludes the possibility of atomic-level structural models. Defining {open_quote}the structure{close_quote} of a bilayer as the time-averaged transbilayer distribution of the water and the principal lipid structural groups such as the carbonyls and double-bonds (quasimolecular fragments), one can represent the bilayer structure as a sum of Gaussian functions referred to collectively as the quasimolecular structure. One method of determining the structure is by neutron diffraction combined with exhaustive specific deuteration. This method is impractical because of the expense of the chemical syntheses and the limited amount of neutron beam time currently available. We have therefore developed the composition space refinement method for combining X-ray and minimal neutron diffraction data to arrive at remarkably detailed and accurate structures of fluid bilayers. The composition space representation of the bilayer describes the probability of occupancy per unit length across the width of the bilayer of each quasimolecular component and permits the joint refinement of X-ray and neutron lamellar diffraction data by means of a single quasimolecular structure that is fitted simultaneously to both data sets. Scaling of each component by the appropriate neutron or X-ray scattering length maps the composition-space profile to the appropriate scattering length space for comparison to experimental data. The difficulty with the method is that fluid bilayer structures are generally only marginally determined by the experimental data. This means that the space of possible solutions must be extensively explored in conjunction with a thorough analysis of errors.

  5. High pressure behavior of phlogopite using neutron diffraction and first principle simulations

    Science.gov (United States)

    Chheda, T. D.; Mookherjee, M.; dos Santos, A. M.; Molaison, J.; Manthilake, G. M.; Chantel, J.; Mainprice, D.

    2013-12-01

    Hydrous phases play an important role in the deep water cycle by transporting water into the Earth's interior. Upon, reaching their thermodynamic stability, these hydrous phases decompose and release the water. A part of the water is cycled back to the arc, thus completing the deep water cycle, the remaining water is partitioned into dense hydrous phases and nominally anhydrous phases. Hence, in order to understand the role the hydrous phases in the deep water cycle, it is important to constrain the effect of pressure, temperature, and chemistry on the thermodynamic stability of the hydrous phases. In addition, it is important to constrain the elasticity of these hydrous phases to test whether they can explain the distinct geophysical observations such as lower bulk sound velocities and elastic anisotropy. Phlogopite is a potassium bearing mica that is stable in the hydrated crust and metasomatized mantle up to pressures of ~9 GPa, i.e., base of the upper mantle. We investigated the response of the crystal structure, lattice parameters and unit-cell volume of a natural phlogopite upon compression. We conducted in situ neutron diffraction studies at high-pressures using Paris-Edinburgh press at the Spallation Neutrons and Pressure Diffractometer (SNAP), Oak Ridge National Laboratory. All the experiments were conducted at room temperatures and pressures up to 10 GPa were explored. The equation of state parameters from our experiments could be explained by a finite strain formulation with V0= 487 Å3, K0 = 49 GPa, K' = 4.1. In addition, we have used first principle simulations based on density functional theory to calculate the equation of state and elasticity. The predicted equation of state is in good agreement with the experiments, with V0= 519 Å3, K0 = 45.8 GPa and K'= 6.9. The full elastic constant tensor shows significant anisotropy with the principal elastic constants at theoretical V0: C11= 181 GPa, C22= 185 GPa, C33= 62 GPa, the shear elastic constants- C44

  6. Neutron Diffraction and Electrical Transport Studies on Magnetic Transition in Terbium at High Pressures and Low Temperatures

    Science.gov (United States)

    Thomas, Sarah; Montgomery, Jeffrey; Tsoi, Georgiy; Vohra, Yogesh; Weir, Samuel; Tulk, Christopher; Moreira Dos Santos, Antonio

    2013-06-01

    Neutron diffraction and electrical transport measurements have been carried out on the heavy rare earth metal terbium at high pressures and low temperatures in order to elucidate its transition from a helical antiferromagnetic to a ferromagnetic ordered phase as a function of pressure. The electrical resistance measurements using designer diamonds show a change in slope as the temperature is lowered through the ferromagnetic Curie temperature. The temperature of the ferromagnetic transition decreases at a rate of -16.7 K/GPa till 3.6 GPa, where terbium undergoes a structural transition from hexagonal close packed (hcp) to an α-Sm phase. Above this pressure, the electrical resistance measurements no longer exhibit a change in slope. In order to confirm the change in magnetic phase suggested by the electrical resistance measurements, neutron diffraction measurements were conducted at the SNAP beamline at the Oak Ridge National Laboratory. Measurements were made at pressures to 5.3 GPa and temperatures as low as 90 K. An abrupt increase in peak intensity in the neutron diffraction spectra signaled the onset of magnetic order below the Curie temperature. A magnetic phase diagram of rare earth metal terbium will be presented to 5.3 GPa and 90 K based on these studies.

  7. Temperature evolution of magnetic structure of HoFeO3 by single crystal neutron diffraction

    Directory of Open Access Journals (Sweden)

    T. Chatterji

    2017-04-01

    Full Text Available We have investigated the temperature evolution of the magnetic structures of HoFeO3 by single crystal neutron diffraction. The three different magnetic structures werevfound as a function of temperature for HoFeO3. In all three phases the fundamental coupling between the Fe sub-lattices remains the same and only their orientation and the degree of canting away from the ideal axial direction varies. The magnetic polarisation of the Ho sub-lattices in these two higher temperature regions, in which the major components of the Fe moment lie along x and y, is very small. The canting of the moments from the axial directions is attributed to the antisymmetric interactions allowed by the crystal symmetry. In the low temperature phase two further structural transitions are apparent in which the spontaneous magnetisation changes sign with respect to the underlying antiferromagnetic configuration. In this temperature range the antisymmetric exchange energy varies rapidly as the the Ho sub-lattices begin to order. So long as the ordered Ho moments are small the antisymmetric exchange is due only to Fe-Fe interactions, but as the degree of Ho order increases the Fe-Ho interactions take over whilst at the lowest temperatures, when the Ho moments approach saturation the Ho-Ho interactions dominate. The reversals of the spontaneous magnetisation found in this study suggest that in HoFeO3 the sums of the Fe-Fe and Ho-Ho antisymmetric interactions have the same sign as one another, but that of the Ho-Fe terms is opposite.

  8. Antiferroelastic structural transitions in PrAlO{sub 3} by means of neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, S. [Department of Physics, Graduate School of Sciences, Kyushu University, 33, Fukuoka 812-8581 (Japan); Neutron Scattering Laboratory, ISSP, University of Tokyo, Tokai, Ibaraki, 319-1106 (Japan); Hidaka, M. [Department of Physics, Graduate School of Sciences, Kyushu University, 33, Fukuoka 812-8581 (Japan); Yoshizawa, H. [Neutron Scattering Laboratory, ISSP, University of Tokyo, Tokai, Ibaraki, 319-1106 (Japan); Wanklyn, B.M. [Clarendon Laboratory, Department of Physics, University of Oxford, Oxford, OX1 3PU (United Kingdom)

    2006-02-01

    Structural phase transitions of the perovskite-type PrAlO{sub 3} have been studied by using neutron diffraction. The results show that, on cooling, the structures are successively transformed from R anti 3c (Phase II) to Imma (Phase III), Imma (Phase IV), I4/mcm (Phase V) by the 215-K, 153-K, and 122-K transitions. The tilting schemes in Phase III, IV and V are mainly characterized by ({psi}{sub a} = {psi}{sub c}, {psi}{sub b} = 0), ({psi}{sub a} {ne} {psi}{sub c}, {psi}{sub b} = 0), and ({psi}{sub c}, {psi}{sub a} = {psi}{sub b} = 0), respectively, where {psi}{sub a}, {psi}{sub b} and {psi}{sub c} are rotational angles around a-, b-, and c-primitive axes of the AlO{sub 6} octahedron. The refreezes of the condensed R{sub 25} {sub {sup y}} and R {sub 25} {sub {sup x}} optical soft modes occurring at about 215 K and 122 K are interpreted by correlation with the cooperative Jahn-Teller distortion (JTD) of the Pr {sup 3+}-4f orbitals in the PrO {sub 12} polyhedra. The phase IV is characterized as an intermediate state, in which the {psi}{sub a} tilts are continuously reduced by the JTD and disappear just above the 122-K transition. The easy mobility of the domain walls suggests the PrAlO {sub 3} crystal to be of antiferroelastic nature, an unusual property that results from the cooperative displacements of O ions induced by the correlation between the antiphase tilts along primitive axes of the AlO {sub 6} octahedra and the JTD around Pr {sup +3} ions in PrO {sub 12} polyhedra. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. Neutron diffraction studies of Zr-containing intermetallic hydrides with ordered hydrogen sublattice. V. Orthorhombic Zr{sub 3}CoD{sub 6.9} with filled Re{sub 3}B-type structure

    Energy Technology Data Exchange (ETDEWEB)

    Riabov, A.B.; Yartys, V.A. [Nat. Acad. of Sci., Lviv (Ukraine). Metal Hydrides Dept.; Fjellvaag, H.; Hauback, B.C.; Soerby, M.H. [Institute for Energy Technology, P.O. Box 40, Kjeller (Norway)

    2000-01-10

    For pt.IV see ibid., vol.290, p.157-163, 1999. Zr{sub 3}CoD{sub 6.9} deuteride (space group Cmcm; a=3.5959(1); b=10.9734(3); c=9.5961(3) A) has been studied by high resolution powder X-ray and neutron diffraction. Rietveld profile refinements showed that it is isostructural to Zr{sub 3}FeD{sub 6.7} with a filled Re{sub 3}B-type structure. D atoms occupy four types of interstitial positions. Deuterium sublattice is completely ordered and can be described as a spatial stacking of deformed cubes ZrD{sub 8} and deformed cubes with an extra ninth vertex ZrD{sub 9}. The shortest interatomic distances are: Zr-D=2.044(5); Co-D=1.727(8); D-D=2.025(6) A. (orig.)

  10. Neutron diffraction reveals the existence of confined water in triangular and hexagonal channels of modified YPO4 at elevated temperatures

    Science.gov (United States)

    Mishra, S. K.; Ningthoujam, R. S.; Mittal, R.; Vatsa, R. K.; Zbiri, M.; Sharma, K. Shitaljit; Singh, B. P.; Sastry, P. U.; Hansen, T.; Schober, H.; Chaplot, S. L.

    2017-09-01

    We provide experimental evidence for confinement of water molecules in the pores of hexagonal structure of YPO4 at elevated temperatures up to 600 K using powder neutron diffraction. In order to avoid the large incoherent scattering from the hydrogen, deuterated samples of doped YPO4:Ce-Eu were used for diffraction measurements. The presence of water molecules in the triangular and hexagonal pores in the hexagonal structure was established by detailed simulation of the diffraction pattern and Rietveld refinement of the experimental data. It was observed that the presence of water leads specifically to suppression of the intensity of a peak around Q = 1.04 Å-1 while the intensity of peaks around Q = 1.83 Å-1 is enhanced in the neutron-diffraction pattern. We estimate the number of water molecules as 2.36 (6) per formula units at 300 K and the sizes of the hexagonal and triangular pores as 7.2 (1) and 4.5 (1) Å, respectively. With an increase in temperature, the water content in both pores decreases above 450 K and vanishes around 600 K. Analysis of the powder-diffraction data reveals that the hexagonal structure with the pores persist up to 1273 K, and transforms to another structure at 1323 K. The high-temperature phase is not found to have the zircon- or monazite-type structure, but a monoclinic structure (space group P 2 /m ) with lattice parameters am= 6.826 (4 ) Å ,bm= 6.645 (4 ) Å ,cm= 10.435 (9 ) Å , and β = 107.21 (6) ∘ . The monoclinic structure has about 14% smaller volume than the hexagonal structure which essentially reflects the collapse of the pores. The phase transition and the change in the volume are also confirmed by x-ray-diffraction measurements. The hexagonal-to-monoclinic phase transition is found to be irreversible on cooling to room temperature.

  11. Neutron diffraction and μ SR studies of two polymorphs of nickel niobate NiNb2O6

    Science.gov (United States)

    Munsie, T. J. S.; Wilson, M. N.; Millington, A.; Thompson, C. M.; Flacau, R.; Ding, C.; Guo, S.; Gong, Z.; Aczel, A. A.; Cao, H. B.; Williams, T. J.; Dabkowska, H. A.; Ning, F.; Greedan, J. E.; Luke, G. M.

    2017-10-01

    Neutron diffraction and muon spin relaxation (μ SR ) studies are presented for the newly characterized polymorph of NiNb2O6 (β -NiNb2O6) with space group P4 2/n and μ SR data only for the previously known columbite structure polymorph with space group P b c n . The magnetic structure of the P4 2/n form was determined from neutron diffraction using both powder and single-crystal data. Powder neutron diffraction determined an ordering wave vector k ⃗=(1/2 ,1/2 ,1/2 ) . Single-crystal data confirmed the same k ⃗ vector and showed that the correct magnetic structure consists of antiferromagnetically coupled chains running along the a or b axis in adjacent Ni2 + layers perpendicular to the c axis, which is consistent with the expected exchange interaction hierarchy in this system. The refined magnetic structure is compared with the known magnetic structures of the closely related trirutile phases, NiSb2O6 and NiTa2O6 . μ SR data finds a transition temperature of TN˜15 K for this system, while the columbite polymorph exhibits a lower TN=5.7 (3 ) K. Our μ SR measurements also allowed us to estimate the critical exponent of the order parameter β for each polymorph. We found β =0.25 (3 ) and 0.16(2) for the β and columbite polymorphs, respectively. The single-crystal neutron scattering data give a value for the critical exponent β =0.28 (3 ) for β -NiNb2O6 , in agreement with the μ SR value. While both systems have β values less than 0.3, which is indicative of reduced dimensionality, this effect appears to be much stronger for the columbite system. In other words, although both systems appear to be well described by S =1 spin chains, the interchain interactions in the β polymorph are likely much larger.

  12. Cu-Zn disorder in Cu2ZnGeSe4: A complementary neutron diffraction and Raman spectroscopy study

    Science.gov (United States)

    Gurieva, G.; Többens, D. M.; Valakh, M. Ya.; Schorr, S.

    2016-12-01

    The crystal structure of the quaternary compound semiconductor Cu2ZnGeSe4 (CZGSe) was investigated by the complementary use of neutron diffraction, and Raman spectroscopy. The powder sample, which resulting from wavelength dispersive X-ray spectroscopy (WDX) turned out to be single phase Cu-rich CZGSe, was synthesized by solid state reaction of the pure elements in an evacuated silica tube at 700 °C. Raman spectroscopy confirmed the homogeneity and phase purity of the sample, in addition, the kesterite type structure was suggested. Rietveld analysis of the neutron diffraction data confirmed that the compound crystallizes in the tetragonal kesterite type structure. The refined site occupancy factors were used to determine the average neutron scattering lengths of the cation sites, giving insights into cation distribution and finally point defect types. Thus it has been shown, that additional to the CuZn-ZnCu anti-site defects in the lattice planes at z=¼ and ¾ (Cu-Zn disorder) also the off-stoichiometry type related point defects like Cui and CuZn occur in Cu-rich CZGSe.

  13. Hemoglobin redux: combining neutron and X-ray diffraction with mass spectrometry to analyse the quaternary state of oxidized hemoglobins

    Energy Technology Data Exchange (ETDEWEB)

    Mueser, Timothy C., E-mail: timothy.mueser@utoledo.edu; Griffith, Wendell P. [Department of Chemistry, University of Toledo, Toledo, OH 43606 (United States); Kovalevsky, Andrey Y. [Bioscience Division, MS M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Guo, Jingshu; Seaver, Sean [Department of Chemistry, University of Toledo, Toledo, OH 43606 (United States); Langan, Paul [Department of Chemistry, University of Toledo, Toledo, OH 43606 (United States); Bioscience Division, MS M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Hanson, B. Leif [Department of Chemistry, University of Toledo, Toledo, OH 43606 (United States)

    2010-11-01

    X-ray and neutron diffraction studies of cyanomethemoglobin are being used to evaluate the structural waters within the dimer–dimer interface involved in quaternary-state transitions. Improvements in neutron diffraction instrumentation are affording the opportunity to re-examine the structures of vertebrate hemoglobins and to interrogate proton and solvent position changes between the different quaternary states of the protein. For hemoglobins of unknown primary sequence, structural studies of cyanomethemoglobin (CNmetHb) are being used to help to resolve sequence ambiguity in the mass spectra. These studies have also provided additional structural evidence for the involvement of oxidized hemoglobin in the process of erythrocyte senescence. X-ray crystal studies of Tibetan snow leopard CNmetHb have shown that this protein crystallizes in the B state, a structure with a more open dyad, which possibly has relevance to RBC band 3 protein binding and erythrocyte senescence. R-state equine CNmetHb crystal studies elaborate the solvent differences in the switch and hinge region compared with a human deoxyhemoglobin T-state neutron structure. Lastly, comparison of histidine protonation between the T and R state should enumerate the Bohr-effect protons.

  14. 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

  15. Residual stress in a laser welded EUROFER blanket module assembly using non-destructive neutron diffraction techniques

    Energy Technology Data Exchange (ETDEWEB)

    Hughes, D.J., E-mail: d.hughes@warwick.ac.uk [WMG, University of Warwick, Coventry CV4 7AL (United Kingdom); Koukovini-Platia, E. [CERN, CH-1211 Geneva 23 (Switzerland); Heeley, E.L. [Department of Physical Sciences, Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)

    2014-02-15

    Highlights: • Residual stresses were determined in a welded EUROFER blanket assembly with integrated cooling channels. • Good agreement was seen between experimentally determined and predicted stresses. • We show that microstructure changes that occur in EUROFER steels during welding must be considered for residual stress determination. • An experimental route is proposed for validation of predicted stresses in reactor components using non-destructive diffraction techniques. - Abstract: Whilst the structural integrity and lifetime considerations in welded joints for blanket modules can be predicted using finite element software, it is essential to prove the validity of these simulations. This paper provides detailed analysis for the first time, of the residual stress state in a laser-welded sample with integral cooling channels. State-of-the-art non-destructive neutron diffraction was employed to determine the triaxial stress state and to understand microstructural changes around the heat affected zone. Synchrotron X-ray diffraction was used to probe the variation of strain-free lattice reference parameter around the weld zone allowing correction of the neutron measurements. This paper details an important experimental route to validation of predicted stresses in complex safety-critical reactor components for future applications.

  16. Neutron diffraction study of the inverse spinels Co2TiO4 and Co2SnO4

    Science.gov (United States)

    Thota, S.; Reehuis, M.; Maljuk, A.; Hoser, A.; Hoffmann, J.-U.; Weise, B.; Waske, A.; Krautz, M.; Joshi, D. C.; Nayak, S.; Ghosh, S.; Suresh, P.; Dasari, K.; Wurmehl, S.; Prokhnenko, O.; Büchner, B.

    2017-10-01

    We report a detailed single-crystal and powder neutron diffraction study of Co2TiO4 and Co2SnO4 between the temperature 1.6 and 80 K to probe the spin structure in the ground state. For both compounds the strongest magnetic intensity was observed for the (111)M reflection due to ferrimagnetic ordering, which sets in below TN=48.6 and 41 K for Co2TiO4 and Co2SnO4 , respectively. An additional low intensity magnetic reflection (200)M was noticed in Co2TiO4 due to the presence of an additional weak antiferromagnetic component. Interestingly, from both the powder and single-crystal neutron data of Co2TiO4 , we noticed a significant broadening of the magnetic (111)M reflection, which possibly results from the disordered character of the Ti and Co atoms on the B site. Practically, the same peak broadening was found for the neutron powder data of Co2SnO4 . On the other hand, from our single-crystal neutron diffraction data of Co2TiO4 , we found a spontaneous increase of particular nuclear Bragg reflections below the magnetic ordering temperature. Our data analysis showed that this unusual effect can be ascribed to the presence of anisotropic extinction, which is associated to a change of the mosaicity of the crystal. In this case, it can be expected that competing Jahn-Teller effects acting along different crystallographic axes can induce anisotropic local strain. In fact, for both ions Ti3 + and Co3 +, the 2 tg levels split into a lower dx y level yielding a higher twofold degenerate dx z/dy z level. As a consequence, one can expect a tetragonal distortion in Co2TiO4 with c /a work.

  17. A Neutron Diffraction Study of the Nuclear and Magnetic Structure of MnNb2O6

    DEFF Research Database (Denmark)

    Nielsen, Oliver Vindex; Lebech, Bente; Krebs Larsen, F.

    1976-01-01

    A neutron diffraction study was made of the nuclear and the magnetic structure of MnNb2O6 single crystals. The thirteen nuclear parameters (space group Pbcn) were determined from 304 reflections at room temperature. The antiferromagnetic structure (Neel temperature=4.4K), determined at 1.2K......, is a superposition of G- and A-type structures of the form 0.90 Gx+0.34 Gy+0.28 Az. The corresponding magnetic space group is P2'1/c....

  18. 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.

  19. Residual stress characterization of steel TIG welds by neutron diffraction and by residual magnetic stray field mappings

    Science.gov (United States)

    Stegemann, Robert; Cabeza, Sandra; Lyamkin, Viktor; Bruno, Giovanni; Pittner, Andreas; Wimpory, Robert; Boin, Mirko; Kreutzbruck, Marc

    2017-03-01

    The residual stress distribution of tungsten inert gas welded S235JRC+C plates was determined by means of neutron diffraction (ND). Large longitudinal residual stresses with maxima around 600 MPa were found. With these results as reference, the evaluation of residual stress with high spatial resolution GMR (giant magneto resistance) sensors was discussed. The experiments performed indicate a correlation between changes in residual stresses (ND) and the normal component of local residual magnetic stray fields (GMR). Spatial variations in the magnetic field strength perpendicular to the welds are in the order of the magnetic field of the earth.

  20. Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate.

    Science.gov (United States)

    Binns, Jack; McIntyre, Garry J; Parsons, Simon

    2016-12-01

    The pressure- and temperature-dependent phase transitions in the ferroelectric material rubidium hydrogen sulfate (RbHSO4) are investigated by a combination of neutron Laue diffraction and high-pressure X-ray diffraction. The observation of disordered O-atom positions in the hydrogen sulfate anions is in agreement with previous spectroscopic measurements in the literature. Contrary to the mechanism observed in other hydrogen-bonded ferroelectric materials, H-atom positions are well defined and ordered in the paraelectric phase. Under applied pressure RbHSO4 undergoes a ferroelectric transition before transforming to a third, high-pressure phase. The symmetry of this phase is revised to the centrosymmetric space group P21/c, resulting in the suppression of ferroelectricity at high pressure.

  1. Neutron and X-ray diffraction and empirical potential structure refinement modelling of magnesium stabilised amorphous calcium carbonate

    DEFF Research Database (Denmark)

    Cobourne, G.; Mountjoy, G.; Rodriguez Blanco, Juan Diego

    2014-01-01

    Amorphous calcium carbonate (ACC) plays a key role in biomineralisation processes in sea organisms. Neutron and X-ray diffraction have been performed for a sample of magnesium-stabilised ACC, which was prepared with a Mg:Ca ratio of 0.05:1 and 0.25 H2O molecules per molecule of CO3. The empirical...... potential structure refinement method has been used to make a model of magnesium-stabilised ACC and the results revealed a fair agreement with the experimental diffraction data. The model has well-defined CO3 and H2O molecules. The average coordination number of Ca is 7.4 and is composed of 6.8 oxygen atoms...

  2. 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.

  3. In situ Neutron Diffraction during Casting: Determination of Rigidity Point in Grain Refined Al-Cu Alloys

    Directory of Open Access Journals (Sweden)

    Jean-Marie Drezet

    2014-02-01

    Full Text Available The rigidity temperature of a solidifying alloy is the temperature at which the solid plus liquid phases are sufficiently coalesced to transmit long range tensile strains and stresses. It determines the point at which thermally induced deformations start to generate internal stresses in a casting. As such, it is a key parameter in numerical modelling of solidification processes and in studying casting defects such as solidification cracking. This temperature has been determined in Al-Cu alloys using in situ neutron diffraction during casting in a dog bone shaped mould. In such a setup, the thermal contraction of the solidifying material is constrained and stresses develop at a hot spot that is irradiated by neutrons. Diffraction peaks are recorded every 11 s using a large detector, and their evolution allows for the determination of the rigidity temperatures. We measured rigidity temperatures equal to 557 °C and 548 °C, depending on cooling rate, for a grain refined Al-13 wt% Cu alloy. At high cooling rate, rigidity is reached during the formation of the eutectic phase and the solid phase is not sufficiently coalesced, i.e., strong enough, to avoid hot tear formation.

  4. In situ Neutron Diffraction during Casting: Determination of Rigidity Point in Grain Refined Al-Cu Alloys

    Science.gov (United States)

    Drezet, Jean-Marie; Mireux, Bastien; Szaraz, Zoltan; Pirling, Thilo

    2014-01-01

    The rigidity temperature of a solidifying alloy is the temperature at which the solid plus liquid phases are sufficiently coalesced to transmit long range tensile strains and stresses. It determines the point at which thermally induced deformations start to generate internal stresses in a casting. As such, it is a key parameter in numerical modelling of solidification processes and in studying casting defects such as solidification cracking. This temperature has been determined in Al-Cu alloys using in situ neutron diffraction during casting in a dog bone shaped mould. In such a setup, the thermal contraction of the solidifying material is constrained and stresses develop at a hot spot that is irradiated by neutrons. Diffraction peaks are recorded every 11 s using a large detector, and their evolution allows for the determination of the rigidity temperatures. We measured rigidity temperatures equal to 557 °C and 548 °C, depending on cooling rate, for a grain refined Al-13 wt% Cu alloy. At high cooling rate, rigidity is reached during the formation of the eutectic phase and the solid phase is not sufficiently coalesced, i.e., strong enough, to avoid hot tear formation. PMID:28788507

  5. Characterisation of polycrystal deformation by numerical modelling and neutron diffraction measurements

    DEFF Research Database (Denmark)

    Clausen, Bjørn

    , that the effect of the elastic anisotropy is limited to the very early stages of plasticity (εP neutron diffraction mea-surements of elastic lattice strains...... reflections. The self-consistent model is used to determine the most suitable reflection for technological applications of neutron diffraction, where focus is on the volume av-erage stress state in engineering components. To be able to successfully convert the measured elastic lattice strains for a specific...... the smallest build-up of residual lattice strains. Below 5% deforma-tion the deviations from linearity and the residual strains are below the normal strain resolution of a neutron diffraction measurement. The model predictions have pinpointed, that the selection of the reflection is crucial for the validity...

  6. Characterisation of a neutron diffraction detector prototype based on the Trench-MWPC technology

    Science.gov (United States)

    Buffet, J. C.; Clergeau, J. F.; Cuccaro, S.; Guérard, B.; Mandaroux, N.; Marchal, J.; Pentenero, J.; Platz, M.; Van Esch, P.

    2017-12-01

    The Trench Multi-Wire-Proportional-Chamber is a new type of MWPC which has been designed to fulfill the requirements of the 2D curved neutron detector under development for the XtremeD neutron diffractometer, under construction at ILL. In this design, anode wires are mounted orthogonally to a stack of metallic cathode plates which are insulated from each other by ceramic spacers. A row of teeth is spark-eroded along the edge of the cathode plates so that anode wires appear to be stretched along trenches machined across a segmented cathode plane. This design was tested on a prototype detector module mounted in a vessel filled with a mixture of 3He-Ar-CO2 at 7 bar. The detector configuration as well as measurements performed on this prototype at ILL neutron test beam line are presented. Results show that the Trench-MWPC design provides uniform amplification gain across the detection area despite the absence of the top cathode wires used to balance the electric field in standard Cathode-Anode-Cathode MWPC configurations. The presence of cathode trench side-walls surrounding anode wires minimises the spread of neutron-induced charge across electrodes, allowing for detector operation at reduced amplification gain without compromising the signal to noise per electrode. Pulse-height spectra acquired under various neutron flux conditions demonstrated that the Trench-MWPC design minimises space-charge effects, thanks to its low amplification gain combined with the fast collection of ions by cathode trench side-walls surrounding anode wires. Measurements also showed that this space-charge effect reduction results in a high local count-rate of ~100 kHz at 10% count loss when irradiating the detector with a small 5 mm × 5 mm neutron beam.

  7. First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments

    Directory of Open Access Journals (Sweden)

    Maxime Deutsch

    2014-05-01

    Full Text Available Since the 1980s it has been possible to probe crystallized matter, thanks to X-ray or neutron scattering techniques, to obtain an accurate charge density or spin distribution at the atomic scale. Despite the description of the same physical quantity (electron density and tremendous development of sources, detectors, data treatment software etc., these different techniques evolved separately with one model per experiment. However, a breakthrough was recently made by the development of a common model in order to combine information coming from all these different experiments. Here we report the first experimental determination of spin-resolved electron density obtained by a combined treatment of X-ray, neutron and polarized neutron diffraction data. These experimental spin up and spin down densities compare very well with density functional theory (DFT calculations and also confirm a theoretical prediction made in 1985 which claims that majority spin electrons should have a more contracted distribution around the nucleus than minority spin electrons. Topological analysis of the resulting experimental spin-resolved electron density is also briefly discussed.

  8. 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 ...

  9. Development of a prompt gamma activation analysis facility using diffracted polychromatic neutron beam

    CERN Document Server

    Byun, S H; Choi, H D

    2002-01-01

    A prompt gamma activation analysis facility has recently been developed at Hanaro, the 24 MW research reactor in the Korea Atomic Energy Research Institute. Polychromatic thermal neutrons are extracted by setting pyrolytic graphite crystals at a Bragg angle of 45 deg. . The detection system comprises a large single n-type HPGe detector, signal electronics and a fast ADC. Neutron beam characterization was performed both theoretically and experimentally. The neutron flux was measured to be 7.9x10 sup 7 n/cm sup 2 s in a 1x1 cm sup 2 beam area at the sample position with a uniformity of 12%. The corresponding Cd-ratio for gold was found to be 266. The beam quality was compared with other representative thermal neutron prompt gamma activation analysis. The detection efficiency was calibrated up to 11 MeV using a set of radionuclides and the (n,gamma) reactions of N and Cl. Finally, the sensitivities and the detection limits were obtained for several elements.

  10. The effect of experimental resolution on crystal reflectivity and secondary extinction in neutron diffraction

    DEFF Research Database (Denmark)

    Dietrich, O.W.; Als-Nielsen, Jens Aage

    1965-01-01

    The reflectivity for neutrons of a plane slab crystal is calculated in the transmission case when the crystal is placed between two Seller collimators. The calculations indicate that the crystal reflectivity, as well as the secondary extinction coefficient, depends signicantly on the angular...... resolution of the collimators. Curves are given for the extinction of the crystal with different crystal and collimator parameters....

  11. Pair-correlation function in disordered β-brass as studied by neutron diffraction

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Dietrich, O.W.

    1967-01-01

    Critical neutron scattering around a superlattice reflection above Tc yields information on the pair correlation function for occupation of lattice sites. The Ornstein-Zernike correlation function e-k 1 r/r is proved to fit the data excellently, and at 8.9deg K above Tc the inverse correlation...

  12. Magnetic Structure of Tb-Tm Alloys Studied by Neutron Diffraction

    DEFF Research Database (Denmark)

    Hansen, P.; Lebech, Bente

    1976-01-01

    Single crystals of Tb-Tm alloys with Tm contents of 12%, 40%, 55% and 65% were investigated by neutron diffractometry over the temperature range 4.2-300K. All these alloys order magnetically to a basal plane spiral below the Neel temperature. Below the Curie temperature the magnetic ordering...

  13. Neutron diffraction studies on La2−xDyxCa2xBa2Cu4+2xOz ...

    Indian Academy of Sciences (India)

    Abstract. Structural studies on Dy-substituted La-2125 type superconductors have been carried out by neutron diffraction experiments at room temperature using a monochromatic neutron beam of wavelength (λ) = 1.249 Å. A series of samples with. La2−xDyxCa2xBa2Cu4+2xOz stoichiometric composition, for x = 0.1–0.5, ...

  14. The structure of NH4F as determined by neutron and X-ray diffraction

    NARCIS (Netherlands)

    Adrian, H.W.W.; Feil, D.

    1969-01-01

    Neutron and X-ray intensities of NH4F were measured at -196°C and -155°C respectively. The wurtzite type structure and space group P63mc were confirmed. The displacement of the two h.c.p. sublattices, formed by each of the F-- and NH+4- ions, is such that all bond-distances are equivalent. The N-H

  15. Thermodynamic properties and neutron diffraction studies of silver ferrite AgFeO2

    Science.gov (United States)

    Vasiliev, A.; Volkova, O.; Presniakov, I.; Baranov, A.; Demazeau, G.; Broto, J.-M.; Millot, M.; Leps, N.; Klingeler, R.; Büchner, B.; Stone, M. B.; Zheludev, A.

    2010-01-01

    We present thermodynamic and neutron scattering data on silver ferrite AgFeO2. The data imply that strong magnetic frustration Θ/TN~10 and magnetic ordering arise via two successive phase transitions at T2 = 7 K and T1 = 16 K. At Tdelafossite CuFeO2, the wavevector of the magnetic structure is independent of temperature both at T

  16. High resolution neutron (n,xn) cross-section measurements for {sup 206,207,208}Pb and {sup 209}Bi from threshold up to 20 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Mihailescu, L.C.; Borcea, C.; Plompen, A.J.M. [European Commission, Joint Research Center, Institute for Reference Materials and Measurements, Geel (Belgium); Baumann, P.; Dessagne, P.; Kerveno, M.; Lukic, S.; Rudolf, G. [IReS, IN2P3, 67 - Strasbourg (France); Jericha, E.; Pavlik, A. [Wien Technische Univ. (Austria); Koning, A.J. [Nuclear Research Group Petten (Netherlands)

    2008-07-01

    Gamma production cross sections for neutron inelastic scattering reactions (n,xn) (x = 1, 2, 3) were measured for three different highly enriched targets of {sup 206}Pb, {sup 207}Pb and {sup 208}Pb and for {sup 209}Bi. Using the known decay schemes of these isotopes, the total inelastic cross sections and level inelastic cross sections were determined. The measurements are continuous in neutron energy and cover a wide interval (from threshold energy up to about 20 MeV). The experiments were performed at the GELINA white neutron source, at the 200 m flight path station with a time resolution of 8 ns, resulting in an unprecedented neutron energy resolution of 1.1 keV at 1 MeV (36 keV at 10 MeV). (authors)

  17. Correlation of Magnetic Properties and Residual Stress Distribution Monitored by X-Ray and Neutron Diffraction in Welded AISI 1008 Steel Sheets

    Czech Academy of Sciences Publication Activity Database

    Vourna, P.; Hervoches, Charles; Vrána, Miroslav; Ktena, A.; Hristoforou, E.

    2015-01-01

    Roč. 51, č. 1 (2015), s. 6200104 ISSN 0018-9464 R&D Projects: GA ČR GB14-36566G; GA MŠk LM2011019 EU Projects: European Commission(XE) 283883 - NMI3-II Institutional support: RVO:61389005 Keywords : Magnetic Barkhausen noise (MBN) * neutron diffraction (ND) * residual stress * X-ray diffraction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.277, year: 2015

  18. In-situ neutron diffraction of LaCoO3 perovskite under uniaxial compression. II. Elastic properties

    Science.gov (United States)

    Lugovy, Mykola; Aman, Amjad; Chen, Yan; Orlovskaya, Nina; Kuebler, Jakob; Graule, Thomas; Reece, Michael J.; Ma, Dong; Stoica, Alexandru D.; An, Ke

    2014-07-01

    Calculations of elastic constants and development of elastic anisotropy under uniaxial compression in originally isotropic polycrystalline LaCoO3 perovskite are reported. The lattice strains in individual (hkl) planes as well as average lattice strain were determined both for planes oriented perpendicular and parallel to the loading direction using in-situ neutron diffraction. Utilizing average lattice strains as well as lattice strains along the a and c crystallographic directions, an attempt was made to determine Poisson's ratio of LaCoO3, which was then compared with that measured using an impulse excitation technique. The elastic constants were calculated and Young's moduli of LaCoO3 single crystal in different crystallographic directions were estimated.

  19. Neutron diffraction and thermal studies of amorphous CS{sub 2} realised by low-temperature vapour deposition

    Energy Technology Data Exchange (ETDEWEB)

    Yamamuro, O.; Matsuo, T. [Osaka Univ., Dept. of Chemistry, Graduate School of Sciences (Japan); Onoda-Yamamuro, N. [Tokyo Denki Univ., College of Sciences and Technology (Japan); Takeda, K. [Naruto Univ., Dept. of Chemistry, Tokushima (Japan); Munemura, H.; Tanaka, S.; Misawa, M. [Niigata Univ. (Japan). Faculty of Science

    2003-08-01

    We have succeeded in preparing amorphous carbon disulphide (CS{sub 2}) by depositing its vapour on a cold substrate at 10 K. Complete formation of the amorphous state has been confirmed by neutron diffraction and differential thermal analysis (DTA). The amorphous sample crystallized at ca. 70 K, which is lower than the hypothetical glass transition temperature (92 K) estimated from the DTA data of the (CS{sub 2}){sub x}(S{sub 2}Cl{sub 2}){sub 1-x} binary mixture. CS{sub 2}, a symmetric linear tri-atomic molecule, is the simplest of the amorphized molecular substances whose structural and thermal information has been reported so far. Comparison of the static structure factors S(Q) has shown that the orientational correlation of CS{sub 2} molecules may be much stronger in the amorphous state than in the liquid state at higher temperature. (authors)

  20. FEA predictions of residual stress in stainless steel compared to neutron and x-ray diffraction measurements. [Finite element analysis

    Energy Technology Data Exchange (ETDEWEB)

    Flower, E.C.; MacEwen, S.R.; Holden, T.M.

    1987-05-01

    Residual stresses in a body arise from nonuniform plastic deformation and continue to be an important consideration in the design and the fabrication of metal components. The finite element method offers a potentially powerful tool for predicting these stresses. However, it is important to first verify this method through careful analysis and experimentation. This paper describes experiments using neutron and x-ray diffraction to provide quantitative data to compare to finite element analysis predictions of deformation induced residual stress in a plane stress austenitic stainless steel ring. Good agreement was found between the experimental results and the numerical predictions. Effects of the formulation of the finite element model on the analysis, constitutive parameters and effects of machining damage in the experiments are addressed.

  1. 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.

  2. In-situ neutron diffraction of LaCoO{sub 3} perovskite under uniaxial compression. II. Elastic properties

    Energy Technology Data Exchange (ETDEWEB)

    Lugovy, Mykola [Department of Mechanical and Aerospace Engineering, University of Central Florida, Orlando, Florida 32816 (United States); Institute for Problems of Materials Science, Kiev 03142 (Ukraine); Aman, Amjad; Orlovskaya, Nina, E-mail: Nina.Orlovskaya@ucf.edu [Department of Mechanical and Aerospace Engineering, University of Central Florida, Orlando, Florida 32816 (United States); Chen, Yan [Department of Mechanical and Aerospace Engineering, University of Central Florida, Orlando, Florida 32816 (United States); Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Kuebler, Jakob; Graule, Thomas [Empa, Swiss Federal Laboratories for Materials Science and Technology, Laboratory for High Performance Ceramics, Ueberlandstrasse 129, 8600 Duebendorf (Switzerland); Reece, Michael J. [The School of Engineering and Materials Science, Queen Mary, University of London, London E1 4NS (United Kingdom); Ma, Dong; Stoica, Alexandru D.; An, Ke [Chemical and Engineering Materials Division, Neutron Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-07-07

    Calculations of elastic constants and development of elastic anisotropy under uniaxial compression in originally isotropic polycrystalline LaCoO{sub 3} perovskite are reported. The lattice strains in individual (hkl) planes as well as average lattice strain were determined both for planes oriented perpendicular and parallel to the loading direction using in-situ neutron diffraction. Utilizing average lattice strains as well as lattice strains along the a and c crystallographic directions, an attempt was made to determine Poisson's ratio of LaCoO{sub 3}, which was then compared with that measured using an impulse excitation technique. The elastic constants were calculated and Young's moduli of LaCoO{sub 3} single crystal in different crystallographic directions were estimated.

  3. Neutron diffraction study of the magnetic-field-induced transition in Mn{sub 3}GaC

    Energy Technology Data Exchange (ETDEWEB)

    Çakir, Ö. [Physics Department, Yildiz Technical University, TR-34220 Esenler, Istanbul (Turkey); Physics Engineering Department, Ankara University, TR-06100 Ankara (Turkey); Acet, M.; Farle, M. [Faculty of Physics and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Senyshyn, A. [Forschungsneutronenquelle Heinz Maier-Leibnitz FRM-II, Technische Universität München, D-85747 Garching bei München (Germany)

    2014-01-28

    The antiperovskite Mn{sub 3}GaC undergoes an isostructural cubic–cubic first order transition from a low-temperature, large-cell-volume antiferromagnetic state to a high-temperature, small-cell-volume ferromagnetic state at around 160 K. The transition can also be induced by applying a magnetic field. We study here the isothermal magnetic-field-evolution of the transition as ferromagnetism is stabilized at the expense of antiferromagnetism. We make use of the presence of the two distinct cell volumes of the two magnetic states as a probe to observe by neutron diffraction the evolution of the transition, as the external magnetic field carries the system from the antiferromagnetic to the ferromagnetic state. We show that the large-volume antiferromagnetic and the small-volume ferromagnetic states coexist in the temperature range of the transition. The ferromagnetic state is progressively stabilized as the field increases.

  4. In situ neutron diffraction studies of a commercial, soft lead zirconate titanate ceramic: Response to electric fields and mechanical stress

    Energy Technology Data Exchange (ETDEWEB)

    Pramanick, Abhijit [University of Florida; Prewitt, Anderson [University of Florida; Cottrell, Michelle [University of Florida; Lee, Wayne [ITT Corporation Acoustic Sensors; Studer, Andrew J. [Bragg Institute, ANSTO; An, Ke [ORNL; Hubbard, Camden R [ORNL; Jones, Jacob [University of Florida

    2010-01-01

    Structural changes in commercial lead zirconate titanate (PZT) ceramics (EC-65) under the application of electric fields and mechanical stress were measured using neutron diffraction instruments at the Australian Nuclear Science and Technology Organisation (ANSTO) and the Oak Ridge National Laboratory (ORNL). The structural changes during electric-field application were measured on the WOMBAT beamline at ANSTO and include non-180{sup o} domain switching, lattice strains and field-induced phase transformations. Using time-resolved data acquisition capabilities, lattice strains were measured under cyclic electric fields at times as short as 30 {mu}s. Structural changes including the (002) and (200) lattice strains and non-180{sup o} domain switching were measured during uniaxial mechanical compression on the NRSF2 instrument at ORNL. Contraction of the crystallographic polarization axis, (002), and reorientation of non-180{sup o} domains occur at lowest stresses, followed by (200) elastic strains at higher stresses.

  5. The metal-insulator transition of RNiO{sub 3} perovskites. What can we learn from neutron diffraction?

    Energy Technology Data Exchange (ETDEWEB)

    Medarde, M.L. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1996-11-01

    RNiO{sub 3} perovskites (R = rare earth) provide a remarkable opportunity to study the relationship between structural and physical properties since by moving along the 4f rare earth series, the evolution of several transport and magnetic properties can be nicely correlated to the steric effects associated with the lanthanide contraction. The most appealing example is probably the metal-insulator transition discovered for the compounds with R{ne}La, whose critical temperature T{sub M-I} increases with decreasing size of the rare earth ion. In this lecture, a summary of the most relevant neutron diffraction results on this system is presented. Moreover, the nickelates are used as an example to illustrate the performance of the diffractometers HRPT and DMCG to be installed at the SINQ. (author) 12 figs., 2 tabs., 17 refs.

  6. Anomalous magnetic ordering phenomena in tetragonal TbB sub 2 C sub 2 observed by neutron diffraction

    CERN Document Server

    Kaneko, K; Onodera, H; Yamaguchi, Y; Katano, S; Matsuda, M

    2002-01-01

    Detailed neutron diffraction measurements on a single crystalline TbB sub 2 C sub 2 in which magnetic field induced antiferroquadrupolar orderings are realised have been performed to understand characteristics of the transition under zero magnetic field. The results indicate that the magnetic transition phenomena consist of development of at least three magnetic components: (1) a dominant antiferromagentic component which develops below T sub N = 21.7 K, (2) a weak long periodic component which develops below about 18 K, and (3) anomalous components with broad magnetic scatterings which develop below about 50 K, which can not be understood by only a short range magnetic ordering. Since these three components develop independently, the transition phenomena in TbB sub 2 C sub 2 are much more complicated than expected from a typical lambda-type anomaly at T sub N in the temperature dependence of magnetic specific heat. (author)

  7. 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.

  8. Small angle neutron diffraction studies of vortex structures in high temperature superconductors

    DEFF Research Database (Denmark)

    Cubitt, R.; Forgan, E.M.; Wylie, M.T.

    1994-01-01

    We have used neutron scattering to provide direct information about flux structures in the bulk of crystals of the superconductor Bi2Sr2CaCu2O8. Its extremely high effective mass anisotropy, makes the flux lattice susceptable to melting and also to decomposition into 'pancake' vortices, which would...... give a more two-dimensional vortex structure. At low temperatures and fields the scattered intensity is consistent with a three dimensional flux-line structure. At higher fields and temperatures, the scattering from the flux lattice dissapears well below T-c. We can associate this dissappearance...

  9. 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.

  10. Investigation on the Residual Stress State of Drawn Tubes by Numerical Simulation and Neutron Diffraction Analysis

    Directory of Open Access Journals (Sweden)

    Adele Carradò

    2013-11-01

    Full Text Available Cold drawing is widely applied in the industrial production of seamless tubes, employed for various mechanical applications. During pre-processing, deviations in tools and their adjustment lead to inhomogeneities in the geometry of the tubes and cause a gradient in residuals. In this paper a three dimensional finite element (3D-FE-model is presented which was developed to calculate the change in wall thickness, eccentricity, ovality and residual macro-stress state of the tubes, produced by cold drawing. The model simulates the drawing process of tubes, drawn with and without a plug. For finite element modelling, the commercial software package Abaqus was used. To validate the model, neutron strain imaging measurements were performed on the strain imaging instrument SALSA at the Institute Laue Langevin (ILL, Grenoble, France on a series of SF-copper tubes, drawn under controlled laboratory conditions, varying the drawing angle and the plug geometry. It can be stated that there is sufficient agreement between the finite element method (FEM-calculation and the neutron stress determination.

  11. Investigation on the Residual Stress State of Drawn Tubes by Numerical Simulation and Neutron Diffraction Analysis.

    Science.gov (United States)

    Palkowski, Heinz; Brück, Sebastian; Pirling, Thilo; Carradò, Adele

    2013-11-08

    Cold drawing is widely applied in the industrial production of seamless tubes, employed for various mechanical applications. During pre-processing, deviations in tools and their adjustment lead to inhomogeneities in the geometry of the tubes and cause a gradient in residuals. In this paper a three dimensional finite element (3D-FE)-model is presented which was developed to calculate the change in wall thickness, eccentricity, ovality and residual macro-stress state of the tubes, produced by cold drawing. The model simulates the drawing process of tubes, drawn with and without a plug. For finite element modelling, the commercial software package Abaqus was used. To validate the model, neutron strain imaging measurements were performed on the strain imaging instrument SALSA at the Institute Laue Langevin (ILL, Grenoble, France) on a series of SF-copper tubes, drawn under controlled laboratory conditions, varying the drawing angle and the plug geometry. It can be stated that there is sufficient agreement between the finite element method (FEM)-calculation and the neutron stress determination.

  12. Evolution of magnetic phases in SmCrO3: A neutron diffraction and magnetometric study

    Science.gov (United States)

    Tripathi, Malvika; Choudhary, R. J.; Phase, D. M.; Chatterji, T.; Fischer, H. E.

    2017-11-01

    The classical belief about the mechanism of spin reorientation phase transition (SRPT) and ground-state magnetic structure in SmCrO3 has become intriguing because of inconsistent bulk magnetization observations. The presence of highly neutron-absorbing Sm atom has so far evaded the determination of microscopic magnetic structure. In the present report, we have utilized very high-energy "hot neutrons" to overcome the Sm absorption and to determine the thermal evolution of magnetic configurations. Unambiguously, three distinct phases are observed: the uncompensated canted antiferromagnetic structure Γ4(Gx,Ay,Fz;FzR) occurring below the Néel temperature (TN=191 K), the collinear antiferromagnetic structure Γ1(Ax,Gy,Cz;CzR) occurring below 10 K, and a nonequilibrium configuration with cooccurring Γ1 and Γ4 phases in the neighborhood of the SRPT (10 K ≤T ≤ 40 K). In differing to the earlier predictions, we divulge the SRPT to be a discontinuous transition where chromium spins switch from the a -b crystallographic plane to the b -c crystallographic plane in a discrete manner with no allowed intermediate configuration. The canting angle of chromium ions in the a -b plane is unusually not a thermal constant, rather it is empirically discerned to follow exponential behavior. The competition between magnetocrystalline anisotropy and free energy derived by isotropic and antisymmetric exchange interactions between different pairs of magnetic ions is observed to govern the mechanism of SRPT.

  13. Crystal structure of 0.96(Na0.5Bi0.5TiO3)-0.04(BaTiO3) from combined refinement of x-ray and neutron diffraction patterns

    Energy Technology Data Exchange (ETDEWEB)

    Usher, T -M; Forrester, J S; dela Cruz, C R; Jones, J L [ORNL; (Florida)

    2012-10-12

    High-resolution x-ray and neutron diffraction of (0.96)Na0.5Bi0.5TiO3–(0.04)BaTiO3 (NBT-4BT) reveal subtle structural distortions that evidence lower symmetry than allowed in the R3c space group. The combined refinement that best models the diffraction patterns is a two phase mixture of a monoclinic Cc phase and a minor fraction of a metrically cubic Pm 3¯ m phase (13 wt. %). The cubic phase is utilized to account for nanometer-scale regions whose local deviations from the long-range symmetry are not observed, such as polar nano-regions or tetragonal platelets. This suggests that the low symmetry found in the NBT-rich phases extends from 0 at. % to at least 4 at. % BT.

  14. Glycine zinc sulfate pentahydrate: redetermination at 10 K from time-of-flight neutron Laue diffraction

    Directory of Open Access Journals (Sweden)

    A. Dominic Fortes

    2016-10-01

    Full Text Available Single crystals of glycine zinc sulfate pentahydrate [systematic name: hexaaquazinc tetraaquadiglycinezinc bis(sulfate], [Zn(H2O6][Zn(C2H5NO22(H2O4](SO42, have been grown by isothermal evaporation from aqueous solution at room temperature and characterized by single-crystal neutron diffraction. The unit cell contains two unique ZnO6 octahedra on sites of symmetry -1 and two SO4 tetrahedra with site symmetry 1; the octahedra comprise one [tetraaqua-diglycine zinc]2+ ion (centred on one Zn atom and one [hexaaquazinc]2+ ion (centred on the other Zn atom; the glycine zwitterion, NH3+CH2COO−, adopts a monodentate coordination to the first Zn atom. All other atoms sit on general positions of site symmetry 1. Glycine forms centrosymmetric closed cyclic dimers due to N—H...O hydrogen bonds between the amine and carboxylate groups of adjacent zwitterions and exhibits torsion angles varying from ideal planarity by no more than 1.2°, the smallest values for any known glycine zwitterion not otherwise constrained by a mirror plane. This work confirms the H-atom locations estimated in three earlier single-crystal X-ray diffraction studies with the addition of independently refined fractional coordinates and Uij parameters, which provide accurate internuclear X—H (X = N, O bond lengths and consequently a more accurate and precise depiction of the hydrogen-bond framework.

  15. Neutron diffraction study of quadruple perovskite SrCu{sub 3}Fe{sub 3}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Yamada, Ikuya, E-mail: i-yamada@21c.osakafu-u.ac.jp [Nanoscience and Nanotechnology Research Center, Osaka Prefecture University, 1-2 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8570 (Japan); Murakami, Makoto; Mori, Shigeo [Department of Materials Science, Graduate School of Engineering, Osaka Prefecture University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8531 (Japan); Irifune, Tetsuo [Geodynamics Research Center, Ehime University, 2-5 Bunkyo-cho, Matsuyama, Ehime 790-8577 (Japan)

    2016-08-26

    The magnetic structure of the quadruple perovskite SrCu{sub 3}Fe{sub 4}O{sub 12} is studied by means of neutron powder diffraction. The magnetic diffraction peaks are observed at low temperatures below 200 K. The Rietveld refinement result suggests an antiferromagnetic alignment of Fe spin magnetic moments for SrCu{sub 3}Fe{sub 4}O{sub 12} at low temperature. The refined magnetic moment at 4 K is ∼3.5 µ{sub B}, which is larger than that of that of CeCu{sub 3}Fe{sub 4}O{sub 12} (2.3 µ{sub B}). The increase in the magnetic moment is attributed to the larger Fe{sup 3+}:Fe{sup 5+} ratio for SrCu{sub 3}Fe{sub 4}O{sub 12} (∼4:1) compared with that of CeCu{sub 3}Fe{sub 4}O{sub 12} (∼3:1).

  16. Atomic structure of glassy Mg60Cu30Y10 investigated with EXAFS, x-ray and neutron diffraction, and reverse Monte Carlo simulations

    DEFF Research Database (Denmark)

    Jovari, P.; Saksl, K.; Pryds, Nini

    2007-01-01

    Short range order of amorphous Mg60Cu30Y10 was investigated by x-ray and neutron diffraction, Cu and Y K-edge x-ray absorption fine structure measurements, and the reverse Monte Carlo simulation technique. We found that Mg-Mg and Mg-Cu nearest neighbor distances are very similar to values found...

  17. 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.

  18. In situ shape and distance measurements in neutron scattering and diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Fujiwara, Satoru; Mendelson, R.A. [Univ. of California, San Francisco, CA (United States)

    1994-12-31

    Neutron scattering combined with selective isotopic labeling and contrast matching is useful for obtaining in situ structural information about a selected particle, or particles, in a macromolecular complex. The observed intensities, however, may be distorted by inter-complex interference and by scattering-length-density fluctuations of the (otherwise) contrast-matched portions. Methods have been proposed to cancel out such distortions (Hoppe`s method, the Statistical Labeling Method, and the Triple Isotopic Substitution Method). With these methods as well as related unmixed-sample methods, structural information about the selected particles can be obtained without these distortions. We have generalized these methods so that, in addition to globular particles in solution, they can be applied to in situ structures of systems having underlying symmetry and/or net orientation as well. The information obtainable from such experiments is discussed.

  19. 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...

  20. Final report DOE Grant ''Development of focusing monochromators for neutron scattering instruments'' (DE-FG02-96ER45599)

    CERN Document Server

    Popovici, M P

    2000-01-01

    Bent crystal monochromators were developed for the neutron scattering community: (1) doubly focusing bulk silicon, for high-resolution neutron diffraction; (2) doubly focusing multi-wafer silicon, for residual stress instruments; (3) silicon-wafer: (a) with pneumatic spherical bending, (b) with mechanical cylindrical bending, (c) with mechanical two-dimensional bending, for high-resolution three-axis spectrometry; (4) doubly focusing multi-wafer silicon, for epithermal (eV range) neutrons; (5) doubly focusing composite pyrolytic graphite (low-cost), for high-flux applications.

  1. 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.

  2. Laue diffraction: The key to neutron crystallography from submillimetric-volume single crystals

    Science.gov (United States)

    Lemée-Cailleau, M.-H.; McIntyre, G. J.; Wilkinson, C.

    2005-12-01

    For several decades, chemists and physicists have been fascinated by molecular compounds rich in delocalized electrons. In the solid state these compounds may offer a very rich fan of properties: optical, conduction and dielectric, magneticldots Each state is the result of a delicate balance amongst intra- and/or intermolecular interactions which can be controlled, not just by direct chemical substitution, but also by external parameters such as temperature, pressure, continuous electric or magnetic fields, or by light. The recent evolution of this field of science towards more and more sophisticated materials makes also more and more difficult their crystal growth. While neutron scattering is an extremely powerful technique to get precise structural information, it is also often disregarded in this field because usually large single crystals are required. With the recent renaissance of Laue techniques using the very intense flux provided by the reactor of the Institut Laue-Langevin (ILL), accurate structural and/or magnetic information can be now extracted routinely from molecular crystals of volume 0.1 mm3 or smaller, with easy possibilities of high pressure (up to 3 GPa) down to 0.2 K. A general survey of these new possibilities is illustrated by an example taken from the field of low-dimensional organic complexes.

  3. The construction of a high resolution crystal backscattering spectrometer HERMES I

    Energy Technology Data Exchange (ETDEWEB)

    Larese, J.Z.

    1998-11-01

    There is a need in the United States for a state-of-the-art, cold-neutron, crystal backscattering spectrometer (CBS) designed to investigate the structure and dynamics of condensed matter systems by the simultaneous utilization of long wavelength elastic diffraction and high-energy-resolution inelastic scattering. Cold neutron spectroscopy with CBS-type instruments has already made many important contributions to the study of atomic and molecular diffusion in biomaterials, polymers, semiconductors, liquid crystals, superionic conductors and the like. Such instruments have also been invaluable for ultra high resolution investigations of the low-lying quantum tunneling processes that provide direct insight into the dynamical response of solids at the lowest energies. Until relatively recently, however, all such instruments were located at steady-state reactors. This proposal describes HERMES I (High Energy Resolution Machines I) a CBS intended for installation at the LANSCE pulsed neutron facility of Los Alamos National Laboratory. As explained in detail in the main text, the authors propose to construct an updated, high-performance CBS which incorporates neutron techniques developed during the decade since IRIS was built, i.e., improved supermirror technology, a larger area crystal analyzer and high efficiency wire gas detectors. The instrument is designed in such a way as to be readily adaptable to future upgrades. HERMES I, they believe, will substantially expand the range and flexibility of neutron investigations in the United States and open new and potentially fruitful directions for condensed matter exploration. This document describes a implementation plan with a direct cost range between $4.5 to 5.6 M and scheduled duration of 39--45 months for identified alternatives.

  4. 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.

  5. 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.

  6. 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.

  7. 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...

  8. Glycine zinc sulfate penta-hydrate: redetermination at 10 K from time-of-flight neutron Laue diffraction.

    Science.gov (United States)

    Fortes, A Dominic; Howard, Christopher M; Wood, Ian G; Gutmann, Matthias J

    2016-10-01

    Single crystals of glycine zinc sulfate penta-hydrate [systematic name: hexa-aqua-zinc tetra-aquadiglycinezinc bis-(sulfate)], [Zn(H2O)6][Zn(C2H5NO2)2(H2O)4](SO4)2, have been grown by isothermal evaporation from aqueous solution at room temperature and characterized by single-crystal neutron diffraction. The unit cell contains two unique ZnO6 octa-hedra on sites of symmetry -1 and two SO4 tetra-hedra with site symmetry 1; the octa-hedra comprise one [tetra-aqua-diglycine zinc]2+ ion (centred on one Zn atom) and one [hexa-aqua-zinc]2+ ion (centred on the other Zn atom); the glycine zwitterion, NH3+CH2COO-, adopts a monodentate coordination to the first Zn atom. All other atoms sit on general positions of site symmetry 1. Glycine forms centrosymmetric closed cyclic dimers due to N-H⋯O hydrogen bonds between the amine and carboxyl-ate groups of adjacent zwitterions and exhibits torsion angles varying from ideal planarity by no more than 1.2°, the smallest values for any known glycine zwitterion not otherwise constrained by a mirror plane. This work confirms the H-atom locations estimated in three earlier single-crystal X-ray diffraction studies with the addition of independently refined fractional coordinates and Uij parameters, which provide accurate inter-nuclear X-H (X = N, O) bond lengths and consequently a more accurate and precise depiction of the hydrogen-bond framework.

  9. Single-crystal neutron diffraction study of Nd magnetic ordering in NdFeO{sub 3} at low temperature

    Energy Technology Data Exchange (ETDEWEB)

    Bartolome, J.; Palacios, E.; Kuzmin, M.D.; Bartolome, F. [Instituto de Ciencia de Materiales de Aragon, CSIC-Universidad de Zaragoza, 50009 Zaragoza (Spain); Sosnowska, I.; Przenioslo, R. [Institute of Experimental Physics, Warsaw University, PL-00 681 Warsaw (Poland); Sonntag, R. [Hahn-Meitner-Institut, D-14109 Berlin (Germany); Lukina, M.M. [Department of Physics, Moscow State University, Leninskie Gory, 119899 Moscow (Russia)

    1997-05-01

    The temperature variation of the (100) and (010) neutron diffraction peak intensities, related only to the Nd magnetic moments, have been measured on a NdFeO{sub 3} single crystal, at temperatures down to 70 mK. The (100) peak becomes noticeable below 25 K while the (010) peak only gives an appreciable contribution below 1 K. Above T{sub N2}{approx}1K the (100) peak intensity is accounted for by the electronic magnetic moments polarized by the Nd-Fe exchange field. Near T{sub N2} a change of slope is observed in the temperature dependence of the (100) reflection intensity, demonstrating the crossover from the above polarization of Nd under the Nd-Fe exchange to proper long-range ordering due to Nd-Nd interaction. Below {approximately}0.4K another mechanism, polarization of Nd nuclear moments by hyperfine field, contributes to the intensity of the (100) and (010) peaks. A simple mean-field model explains consistently the observed temperature dependence of the diffraction intensities as well as earlier specific-heat data. The main feature of this model is allowance for Van Vleck susceptibility, which appears to play an important role in the overall polarization of Nd. The values of the hyperfine field at the Nd nuclei H{sub hf}=1.0{plus_minus}0.15MOe and of the Nd electronic magnetic moment {mu}{sub Nd}=0.9{mu}{sub B} are deduced, the ratio H{sub hf}/{mu}{sub Nd} being the same as in other Nd compounds. {copyright} {ital 1997} {ital The American Physical Society}

  10. A Novel In-situ Electrochemical Cell for Neutron Diffraction Studies of Phase Transitions in Small Volume Electrodes of Li-ion Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Vadlamani, Bhaskar S [ORNL; An, Ke [ORNL; Jagannathan, M. [University of Utah; Ravi Chandran, K. [University of Utah

    2014-01-01

    The design and performance of a novel in-situ electrochemical cell that greatly facilitates the neutron diffraction study of complex phase transitions in small volume electrodes of Li-ion cells, is presented in this work. Diffraction patterns that are Rietveld-refinable could be obtained simultaneously for all the electrodes, which demonstrates that the cell is best suited to explore electrode phase transitions driven by the lithiation and delithiation processes. This has been facilitated by the use of single crystal (100) Si sheets as casing material and the planar cell configuration, giving improved signal-to-noise ratio relative to other casing materials. The in-situ cell has also been designed for easy assembly and to facilitate rapid experiments. The effectiveness of cell is demonstrated by tracking the neutron diffraction patterns during the charging of graphite/LiCoO2 and graphite/LiMn2O4 cells. It is shown that good quality neutron diffraction data can be obtained and that most of the finer details of the phase transitions, and the associated changes in crystallographic parameters in these electrodes, can be captured.

  11. Analyze of phase's mechanical behaviour of a multiphase polycrystalline alloy by X-ray and neutron diffraction; Analyse du comportement mecanique des constituants d'un alliage polycristallin multiphase par diffraction des rayons X et neutronique

    Energy Technology Data Exchange (ETDEWEB)

    Dakhlaoui, R

    2006-12-15

    The aim of this work is to propose a methodology using diffraction methods and theoretical approaches of self-consistent modeling in order to analyze and better understand the mechanical behavior of each phase of hot-rolled duplex stainless steel. The purpose of the experimental study is to characterize the local mechanical behavior of phases under uniaxial loading. X-ray and neutron diffraction which enable to measure strains in each phase separately were used in this aim. Austenitic and ferritic phase stresses are determined by X-ray diffraction during tensile tests. Evolution of the elastic strains in each phase was measured by neutron diffraction using 'time-of-flight' method during tensile and compression tests. Elastic constants were given using the self-consistent model for a purely elastic deformation. To reproduce the mechanical behaviour of the studied material, self-consistent polycrystalline micro-mechanical model for elastoplastic deformation has been adapted and confronted to experimental results. Crystallographic texture and initial residual stresses were considered in this analysis. Critical shear stresses and hardening parameters of each phase of the studied duplex steel have been identified. Results of this study showed that the austenitic phase represents the softest and the most hardenable phase. Taking into account in calculations the initial residual stresses in the non deformed sample leads to the conclusion that the initial stresses modify considerably the values of phase's yield stresses. Good agreement has been noted comparing results obtained by XRD to those obtained by neutron diffraction. The problem of relaxation of normal stresses in the analysed layer by X-rays was analysed and discussed. Using XRD and self-consistent modelling, the effect of the chemical composition of the duplex stainless steel and the influence of ageing at 400 C degrees for 1000 h on the mechanical behaviour of austenitic and ferritic phases have

  12. In-situ time-of-flight neutron diffraction study of the structure evolution of electrode materials in a commercial battery with LiNi0.8Co0.15Al0.05O2 cathode

    Science.gov (United States)

    Bobrikov, I. A.; Samoylova, N. Yu.; Sumnikov, S. V.; Ivanshina, O. Yu.; Vasin, R. N.; Beskrovnyi, A. I.; Balagurov, A. M.

    2017-12-01

    A commercial lithium-ion battery with LiNi0.8Co0.15Al0.05O2 (NCA) cathode has been studied in situ using high-intensity and high-resolution neutron diffraction. Structure and phase composition of the battery electrodes have been probed during charge-discharge in different cycling modes. The dependence of the anode composition on the charge rate has been determined quantitatively. Different kinetics of Li (de)intercalation in the graphite anode during charge/discharge process have been observed. Phase separation of the cathode material has not been detected in whole voltage range. Non-linear dependencies of the unit cell parameters, atomic and layer spacing on the lithium content in the cathode have been observed. Measured dependencies of interatomic spacing and interlayer spacing, and unit cell parameters of the cathode structure on the lithium content could be qualitatively explained by several factors, such as variations of oxidation state of cation in oxygen octahedra, Coulomb repulsion of oxygen layers, changes of average effective charge of oxygen layers and van der Waals interactions between MeO2-layers at high level of the NCA delithiation.

  13. Neutron diffraction residual stress analysis of Al{sub 2}O{sub 3}/Y-TZP ceramic composites

    Energy Technology Data Exchange (ETDEWEB)

    Fan, K.; Ruiz-Hervias, J.; Gurauskis, J.; Sanchez-Herencia, A. J.; Baudin, C.

    2016-05-01

    Residual stress measurements were conducted by time-of-flight neutron diffraction and Rietveld analysis method in Al{sub 2}O{sub 3}/Y-TZP ceramic composites fabricated by different green processing techniques (a novel tape casting and conventional slip casting) and with different Y-TZP content (5 and 40 vol.% Y-TZP). The results show that the residual stresses in Y-TZP particulates are tensile and the ones in Al{sub 2}O{sub 3} matrix are compressive, with almost flat through-thickness residual stress profiles in all bulk samples. As Y-TZP content increased, tension in Y-TZP phase was decreased but compression in Al{sub 2}O{sub 3} matrix was increased (in absolute value). The values of residual stresses for both phases were mainly dependent on the Y-TZP content in the studied Al{sub 2}O{sub 3}/Y-TZP composites, irrespective of sample orientation and fabrication processes (a novel tape casting and conventional slip casting). (Author)

  14. The application of neutron diffraction to a study of phases in type 316 stainless steel weld metals

    Science.gov (United States)

    Slattery, G. F.; Windsor, C. G.

    1983-10-01

    Neutron diffraction techniques have been utilised to study the phases in type 316 austenitic stainless steel weld metal, both in the as-welded condition and after stress-relieving and ageing heat-treatments. The amounts of the principal crystallographic phases present in bulk specimens have been measured. Two compositions of weld metal were selected to provide a "low" (6%) and "high" (16%) initial ferrite level and the subsequent volume fractions of transformation products were measured after heat-treatment. Some retained ferrite was observed in all the heat-treated specimens, ranging from 4% for specimens of both initial ferrite levels treated at 625°C for 1000 h, to around 1% for the specimens treated at 850°C for 6 h. The high initial ferrite specimen produced 0.9% of sigma phase after the 850°C treatment and 0.2% sigma after the 625°C treatment. The low initial ferrite specimen produced 1.5% M 23C 6 carbide after both heat-treatments. The results compare well with previous findings on similar samples of weld metal using optical and electron microscopy.

  15. The crystal structure of superconducting FeSe{sub 1-x}Te{sub x} by pulsed neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Lehman, M C; Llobet, A; Horigane, K; Louca, D, E-mail: mcl4v@virginia.edu

    2010-11-01

    A transition to a superconducting state was recently observed in the binary alloy of FeSe{sub 1-x}Te{sub x} system where TC rises with increasing x. The substitution of the larger Te for Se ion results in no additional charges but increases the internal chemical pressure. Earlier studies suggested that the crystal structure maintains the tetragonal P4/nmm symmetry with the substitution of Te where the average bond angle, {alpha}, decreases considerably from {approx} 104{sup 0} in FeSe to 100.5{sup 0} in the mixed phase of FeSe{sub 0.5}Te{sub 0.5}. With the use of pulsed neutron power diffraction and the Rietveld analysis, the crystal structure refinement for FeSe{sub 0.5}Te{sub 0.5} yielded very large thermal factors in the superconducting phase indicative of the presence of structural distortions that may be significant in understanding the electronic and magnetic properties of this system.

  16. Comparison between Neutron Diffraction measurements and numerical simulation of residual stresses of a Wire-Drawing process

    Directory of Open Access Journals (Sweden)

    Tomaz Fantin de Souza

    2013-04-01

    Full Text Available In this work, a drawing processed was simulated to calculate forces and the resulting residual stresses in the material. The calculated residual stresses were compared with experimentally measured residual stresses by the Neutron Diffraction Method. The modeled process was the Wire Drawing. The necessary parameters to model the process were taken from an industrial currently used process. Rods of an AISI 1045 steel with nominal diameters of 21.46 mm were reduced to 20.25 mm by drawing with an drawing angle of 15°. Compression tests were used to determinate flow curves of the real material an used in the simulation models. The possibility to estimate drawing forces by numerical simulation was evaluated by comparing simulated results with values from empirical equations given by the literature. The results have shown a sufficient accuracy for the calculation of forces, but the comparison of residual stresses has shown differences to the experimentally determined ones that can be minimized by the consideration of high strain rates in the compression tests, anisotropy of the material and kinematic hardening.

  17. 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.

  18. 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.

  19. 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.

  20. High-level expression and deuteration of sperm whale myoglobin: A study of its solvent structure by X-ray and neutron diffraction methods

    Energy Technology Data Exchange (ETDEWEB)

    Shu, F. [State Univ. of New York, Stony Brook, NY (United States); Ramakrishnan, V. [Brookhaven National Laboratory, Upton, NY (United States); Schoenborn, B.P. [Los Alamos National Laboratory, NM (United States)

    1994-12-31

    Neutron diffraction has become one of the best ways to study light atoms, such as hydrogens. Hydrogen however has a negative coherent scattering factor, and a large incoherent scattering factor, while deuterium has virtually no incoherent scattering, but a large positive coherent scattering factor. Beside causing high background due to its incoherent scattering, the negative coherent scattering of hydrogen tends to cancel out the positive contribution from other atoms in a neutron density map. Therefore a fully deuterated sample will yield better diffraction data with stronger density in the hydrogen position. On this basis, a sperm whale myoglobin gene modified to include part of the A cII protein gene has been cloned into the T7 expression system. Milligram amounts of fully deuterated holo-myoglobin have been obtained and used for crystallization. The synthetic sperm whale myoglobin crystallized in P2{sub 1} space group isomorphous with the native protein crystal. A complete X-ray diffraction dataset at 1.5{Angstrom} has been collected. This X-ray dataset, and a neutron data set collected previously on a protonated carbon-monoxymyoglobin crystal have been used for solvent structure studies. Both X-ray and neutron data have shown that there are ordered hydration layers around the protein surface. Solvent shell analysis on the neutron data further has shown that the first hydration layer behaves differently around polar and apolar regions of the protein surface. Finally, the structure of per-deuterated myoglobin has been refined using all reflections to a R factor of 17%.

  1. Spin flippers for Larmor labeling methods in monochromatic and white neutron beams

    Energy Technology Data Exchange (ETDEWEB)

    Rekveldt, Theo, E-mail: m.t.rekveldt@tudelft.n [Department R3, Faculty of Applied Sciences, Delft University of Technology (Netherlands); Kraan, Wicher [Department R3, Faculty of Applied Sciences, Delft University of Technology (Netherlands)

    2011-02-11

    Spin flippers are considered and distinguished in low and high field flippers. The first ones are used in normal polarized neutron beam applications and also in normal spin-echo set-ups. The last ones are essential in their application for labeling the direction of a neutron beam as occurs in spin-echo small angle scattering and high resolution Larmor diffraction. The advantages and disadvantages of the various flippers are discussed.

  2. 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

  3. 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.

  4. 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.

  5. Characterisation of the incident beam and current diffraction capabilities on the VESUVIO spectrometer

    Science.gov (United States)

    Romanelli, G.; Krzystyniak, M.; Senesi, R.; Raspino, D.; Boxall, J.; Pooley, D.; Moorby, S.; Schooneveld, E.; Rhodes, N. J.; Andreani, C.; Fernandez-Alonso, F.

    2017-09-01

    The VESUVIO spectrometer at the ISIS pulsed neutron and muon source is a unique instrument amongst those available at neutron facilities. This is the only inverted-geometry neutron spectrometer accessing values of energy and wavevector transfer above tens of eV and {\\mathringA}-1 , respectively, and where deep inelastic neutron scattering experiments are routinely performed. As such, the procedure at the base of the technique has been previously described in an article published by this journal (Mayers and Reiter 2012 Meas. Sci. Technol. 23 045902). The instrument has recently witnessed an upsurge of interest due to a new trend to accommodate, within a single experiment, neutron diffraction and transmission measurements in addition to deep inelastic neutron scattering. This work presents a broader description of the instrument following these recent developments. In particular, we assess the absolute intensity and two-dimensional profile of the incident neutron beam and the capabilities of the backscattering diffraction banks. All results are discussed in the light of recent changes to the moderator viewed by the instrument. We find that VESUVIO has to be considered a high-resolution diffractometer as much as other diffractometers at ISIS, with a resolution as high as 2× 10-3 in backscattering. Also, we describe the extension of the wavelength range of the instrument to include lower neutron energies for diffraction measurements, an upgrade that could be readily applied to other neutron instruments as well.

  6. A Neutron-Diffraction Study of the Solid Layers at the Liquid Solid Boundary in 4He-Films Adsorbed on Graphite

    DEFF Research Database (Denmark)

    da Costa Carneiro, Kim; Passell, L.; Thomlinson, W.

    1981-01-01

    A neutron scattering study of the structure of 4He films adsorbed on graphite is reported. Diffraction from helium monolayers at a temperature of 1.2K shows the formation of an incommensurate, triangular-lattice solid of high density. As the coverage is increased above two layers, the diffraction...... precise identification. A measurement of the height of the first helium layer above the graphite basal plane was also made. This was done by determining the coverage-dependent shift in the position of the graphite (002) diffraction peak (assumed to arise from interference between film and substrate...... scattering) and fitting it to a simple structural model. Values for the monolayer height above the graphite plane and for the lattice constants of the possible bilayer structures are given....

  7. 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...

  8. 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.

  9. Quantum interferences revealed by neutron diffraction accord with a macroscopic-scale quantum-theory of ferroelectrics KH2(1- ρ)D2 ρ PO4

    Science.gov (United States)

    Fillaux, François; Cousson, Alain

    2016-03-01

    Neutron diffraction by single-crystals KH2(1- ρ)D2 ρ PO4 at 293 K reveal quantum interferences consistent with a static lattice of entangled proton-deuteron scatterers. These crystals are represented by a macroscopic-scale condensate of phonons with continuous space-time-translation symmetry and zero-entropy. This state is energetically favored and decoherence-free over a wide temperature-range. Projection of the crystal state onto a basis of four electrically- and isotopically-distinct state-vectors accounts for isotope and pressure effects on the temperature of the ferroelectric-dielectric transition, as well as for the latent heat. At the microscopic level, an incoming wave realizes a transitory state either in the space of static positional parameters (elastic scattering) or in that of the symmetry species (energy transfer). Neutron diffraction, vibrational spectroscopy, relaxometry and neutron Compton scattering support the conclusion that proton and deuteron scatterers are separable exclusively through resonant energy-transfer.

  10. Neutron monochromator based on dispersive double reflections excited in a cylindrically bent-perfect-crystal (BPC) slab

    Science.gov (United States)

    Mikula, Pavel; Vrána, Miroslav; Lott, Dieter; Wagner, Volker

    2006-11-01

    A high-resolution neutron monochromator based on a multiple-reflection effect realized in a cylindrically BPC element has been recently tested with the aim of its possible employment in the scattering instruments for powder diffractometry. The feasibility of a diffractometer employing such monochromator for high or ultra-high resolution studies has been proved. Feasibility of its employment as a high-resolution monochromator is demonstrated on diffraction by a polycrystalline standard sample of α-Fe of volume of several tens of mm 3.

  11. Texture Analysis using The Neutron Diffraction Method on The Non Standardized Austenitic Steel Process by Machining,Annealing, and Rolling

    Directory of Open Access Journals (Sweden)

    Tri Hardi Priyanto

    2016-04-01

    Full Text Available Austenitic steel is one type of stainless steel which is widely used in the industry. Many studies on  austenitic stainless steel have been performed to determine the physicalproperties using various types of equipment and methods. In this study, the neutron diffraction method is used to characterize the materials which have been made from  minerals extracted from the mines in Indonesia. The materials consist of a granular ferro-scrap, nickel, ferro-chrome, ferro-manganese, and ferro-silicon added with a little titanium. Characterization of the materials was carried out in threeprocesses, namely: machining, annealing, and rolling. Experimental results obtained from the machining process generally produces a texture in the 〈100〉direction. From the machining to annealing process, the texture index decreases from 3.0164 to 2.434.Texture strength in the machining process (BA2N sample is  8.13 mrd and it then decreases to 6.99 in the annealing process (A2DO sample. In the annealing process the three-component texture appears, cube-on-edge type texture{110}〈001〉, cube-type texture {001}〈100〉, and brass-type {110}〈112〉. The texture is very strong leading to the direction of orientation {100}〈001〉, while the {011}〈100〉is weaker than that of the {001}, and texture withorientation {110}〈112〉is weak. In the annealing process stress release occurred, and this was shown by more randomly pole compared to stress release by the machining process. In the rolling process a brass-type texture{110}〈112〉with a spread towards the goss-type texture {110}〈001〉 appeared,  and  the  brass  component  is markedly  reinforced  compared  to  the undeformed state (before rolling. Moreover, the presence of an additional {110} component was observed at the center of the (110 pole figure. The pole density of three components increases withthe increasing degree of thickness reduction. By increasing degrees

  12. Structural study of the apatite Nd₈Sr₂Si₆O₂₆ by Laue neutron diffraction and single-crystal Raman spectroscopy.

    Science.gov (United States)

    An, Tao; Orera, Alodia; Baikie, Tom; Herrin, Jason S; Piltz, Ross O; Slater, Peter R; White, Tim J; Sanjuán, María L

    2014-09-02

    A single-crystal structure determination of Nd8Sr2Si6O26 apatite, a prototype intermediate-temperature electrolyte for solid oxide fuel cells grown by the floating-zone method, was completed using the combination of Laue neutron diffraction and Raman spectroscopy. While neutron diffraction was in good agreement with P6₃/m symmetry, the possibility of P6₃ could not be convincingly excluded. This ambiguity was removed by the collection of orientation-dependent Raman spectra that could only be consistent with P6₃/m. The composition of Nd8Sr2Si6O26 was independently verified by powder X-ray diffraction in combination with electron probe microanalysis, with the latter confirming a homogeneous distribution of Sr and the absence of chemical zonation commonly observed in apatites. This comprehensive crystallochemical description of Nd8Sr2Si6O26 provides a baseline to quantify the efficacy of cation vacancies, oxygen superstoichiometry, and symmetry modification for promoting oxygen-ion mobility.

  13. Formation of incommensurate long-range magnetic order in the Dzyaloshinskii-Moriya antiferromagnet Ba2CuGe2O7 studied by neutron diffraction

    Science.gov (United States)

    Mühlbauer, S.; Brandl, G.; Mânsson, M.; Garst, M.

    2017-10-01

    Neutron diffraction on a triple-axis spectrometer and a small-angle neutron scattering instrument is used to study the magnetic phase transition in tetragonal Ba2CuGe2O7 at zero magnetic field. In addition to the incommensurate cycloidal antiferromagnetic (AFM) long-range order, we establish that weak incommensurate ferromagnetism (FM) also arises below the transition temperature TN identified by sharp Bragg peaks close to the Γ point. The intensities of both the incommensurate AFM and FM Bragg peaks vanish abruptly at TN, which is indicative of a weak first-order transition. Above TN, evidence is presented that the magnetic intensity within the tetragonal (a ,b ) plane is distributed on a ring in momentum space whose radius is determined by the incommensurate wave vector of the cycloidal order. We speculate that the associated soft fluctuations are at the origin of the weak first-order transition in the spirit of a scenario proposed by Brazovskii.

  14. Weld residual stresses near the bimetallic interface in clad RPV steel: A comparison between deep-hole drilling and neutron diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    James, M.N., E-mail: mjames@plymouth.ac.uk [School of Marine Science and Engineering, University of Plymouth, Drake Circus, Plymouth (United Kingdom); Department of Mechanical Engineering, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Newby, M.; Doubell, P. [Eskom Holdings SOC Ltd, Lower Germiston Road, Rosherville, Johannesburg (South Africa); Hattingh, D.G. [Department of Mechanical Engineering, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Serasli, K.; Smith, D.J. [Department of Mechanical Engineering, University of Bristol, Queen' s Building, University Walk, Bristol (United Kingdom)

    2014-07-01

    Highlights: • Identification of residual stress trends across bimetallic interface in stainless clad RPV. • Comparison between deep hole drilling (DHD – stress components in two directions) and neutron diffraction (ND – stress components in three directions). • Results indicate that both techniques can assess the trends in residual stress across the interface. • Neutron diffraction gives more detailed information on transient residual stress peaks. - Abstract: The inner surface of ferritic steel reactor pressure vessels (RPV) is clad with strip welded austenitic stainless steel primarily to increase the long-term corrosion resistance of the ferritic vessel. The strip welding process used in the cladding operation induces significant residual stresses in the clad layer and in the RPV steel substrate, arising both from the thermal cycle and from the very different thermal and mechanical properties of the austenitic clad layer and the ferritic RPV steel. This work measures residual stresses using the deep hole drilling (DHD) and neutron diffraction (ND) techniques and compares residual stress data obtained by the two methods in a stainless clad coupon of A533B Class 2 steel. The results give confidence that both techniques are capable of assessing the trends in residual stresses, and their magnitudes. Significant differences are that the ND data shows greater values of the tensile stress peaks (∼100 MPa) than the DHD data but has a higher systematic error associated with it. The stress peaks are sharper with the ND technique and also differ in spatial position by around 1 mm compared with the DHD technique.

  15. Anomalous Depletion of Pore-Confined Carbon Dioxide upon Cooling below the Bulk Triple Point: An In Situ Neutron Diffraction Study

    Science.gov (United States)

    Stefanopoulos, K. L.; Katsaros, F. K.; Steriotis, Th. A.; Sapalidis, A. A.; Thommes, M.; Bowron, D. T.; Youngs, T. G. A.

    2016-01-01

    The phase behavior of sorbed CO2 in an ordered mesoporous silica sample (SBA-15) was studied by neutron diffraction. Surprisingly, upon cooling our sample below the bulk critical point, confined CO2 molecules neither freeze nor remain liquid as expected, but escape from the pores. The phenomenon has additionally been confirmed gravimetrically. The process is reversible and during heating CO2 refills the pores, albeit with hysteresis. This depletion was for the first time observed in an ordered mesoporous molecular sieve and provides new insight on the phase behavior of nanoconfined fluids.

  16. Strain Mapping and Nanocrystallite Size Determination by Neutron Diffraction in an Aluminum Alloy (AA5083 Severely Plastically Deformed through Equal Channel Angular Pressing

    Directory of Open Access Journals (Sweden)

    P. A. González Crespo

    2013-01-01

    Full Text Available Six specimens of an aluminum alloy (AA-5083 extruded by Equal Channel Angular Pressing following two different routes plus a blank sample were examined with a neutron radiation of 1.5448 Å. Macrostrain maps from the (311 reflection were obtained. A clear difference about accumulated macrostrain with the extrusion cycles between the two routes is shown. The diffraction data of annealed specimens did permit to estimate crystallite sizes that range between 89 nm and 115 nm depending on the routes.

  17. In-situ neutron diffraction study of martensitic variant redistribution in polycrystalline Ni-Mn-Ga alloy under cyclic thermo-mechanical treatment

    Science.gov (United States)

    Li, Zongbin; Zhang, Yudong; Esling, Claude; Gan, Weimin; Zou, Naifu; Zhao, Xiang; Zuo, Liang

    2014-07-01

    The influences of uniaxial compressive stress on martensitic transformation were studied on a polycrystalline Ni-Mn-Ga bulk alloy prepared by directional solidification. Based upon the integrated in-situ neutron diffraction measurements, direct experimental evidence was obtained on the variant redistribution of seven-layered modulated (7M) martensite, triggered by external uniaxial compression during martensitic transformation. Large anisotropic lattice strain, induced by the cyclic thermo-mechanical treatment, has led to the microstructure modification by forming martensitic variants with a strong ⟨0 1 0⟩7M preferential orientation along the loading axis. As a result, the saturation of magnetization became easier to be reached.

  18. Neutron diffraction studies of Ho sub 2 Fe sub 9 Ga sub 8 sub - sub x Al sub x (x=2, 4) at 50 K and 300 K

    CERN Document Server

    Chen, D F; Sun, K; Ridwan; Mujamilah, A; Marsongkohadi; Yan, Q W; Zhang, P L; Shen, B G; Gong, H Y

    1998-01-01

    The crystallographic and magnetic structures of Ho sub 2 Fe sub 9 Ga sub 8 sub - sub x Al sub x (x=2, 4) were studied by powder neutron diffraction at 50 K and 300 K. The atom fractional occupancies of gallium and aluminium and the magnetic moments of Ho and Fe atoms were obtained by a Rietveld analysis program. The gallium atoms occupy preferentially 18f sites, but aluminium atoms prefer to occupy 6c sites. The magnetic moments of the phase with the x=2, 4 at 50 K and x=2 at 300 K show uniaxial anisotropy. A qualitative explanation for this result is given. (author)

  19. 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...

  20. Neutron diffraction investigation for possible anisotropy within monolithic Al{sub 2}O{sub 3}/Y-TZP composites fabricated by stacking together cast tapes

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz-Hervias, J. [Departamento de Ciencia de Materiales, UPM, E.T.S.I. Caminos, Canales y Puertos, C/Profesor Aranguren s/n, E-28040 Madrid (Spain); Bruno, G. [Institut Max von Laue-Paul Langevin, BP 156, F-38042 Grenoble (France); Gurauskis, J. [Instituto de Ceramica y Vidrio (CSIC), Department of Ceramics, C/Kelsen 5, E-28049 Madrid (Spain); Sanchez-Herencia, A.J. [Instituto de Ceramica y Vidrio (CSIC), Department of Ceramics, C/Kelsen 5, E-28049 Madrid (Spain); Baudin, C. [Instituto de Ceramica y Vidrio (CSIC), Department of Ceramics, C/Kelsen 5, E-28049 Madrid (Spain)]. E-mail: cbaudin@icv.csic.es

    2006-03-15

    development of residual stresses in two Al{sub 2}O{sub 3} + 5 vol.% yttria-tetragonal zirconia polycrystal (Y-TZP) ceramic composites fabricated by conventional slip casting and by joining green cast tapes was investigated. Neutron diffraction profiles revealed compressive microstresses (-200 MPa) in the Al{sub 2}O{sub 3} matrix and tensile ones (2200 MPa) in the Y-TZP particles, irrespective of the processing route and the direction of measurement, which demonstrates the lack of residual macrostresses due to the joining procedure.

  1. The asymmetric interface structure of bcc Fe{sub 82}Ni{sub 18}/Co superlattices as revealed by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Bjoerck, M. [Department of Physics, Uppsala Universitet, Box 530, SE-751 21 Uppsala (Sweden)]. E-mail: Matts.Bjorck@fysik.uu.se; Soroka, I.L. [Department of Physics, Uppsala Universitet, Box 530, SE-751 21 Uppsala (Sweden); Atomic Physics Department, Stockholm University, AlbaNova University Centrum, 106 91 Stockholm (Sweden); Chacon-Carillo, C. [Department of Physics, Uppsala Universitet, Box 530, SE-751 21 Uppsala (Sweden); Laboratoire Materiaux et Phenomenes Quantiques, Universite Paris 7, CNRS, UMR 7162, 2 Place Jussieu, 75251 Paris Cedex (France); Andersson, G. [Department of Physics, Uppsala Universitet, Box 530, SE-751 21 Uppsala (Sweden)

    2007-02-26

    The interface structure of Fe{sub 82}Ni{sub 18}/Co (001) superlattices has been studied with a combination of X-ray and neutron diffraction. The analysis reveals highly asymmetric interfaces with total interface widths of 10 {+-} 1 ML(monolayers) for Fe{sub 82}Ni{sub 18} on Co and a maximum interface width of 1 ML for Co on Fe{sub 82}Ni{sub 18}. In addition it is concluded that there is no detectable long range B2-type chemical order occurring in the interface region. These results are also discussed in the context of previously measured magnetic moments of the same system.

  2. Neutron Stars

    Science.gov (United States)

    Cottam, J.

    2007-01-01

    Neutron stars were discovered almost 40 years ago, and yet many of their most fundamental properties remain mysteries. There have been many attempts to measure the mass and radius of a neutron star and thereby constrain the equation of state of the dense nuclear matter at their cores. These have been complicated by unknown parameters such as the source distance and burning fractions. A clean, straightforward way to access the neutron star parameters is with high-resolution spectroscopy. I will present the results of searches for gravitationally red-shifted absorption lines from the neutron star atmosphere using XMM-Newton and Chandra.

  3. Resonant x-ray and neutron diffraction study of USb0.8Te0.2

    DEFF Research Database (Denmark)

    Nuttall, W.J.; Langridge, S.; Stirling, W.G.

    1995-01-01

    Complementary neutron and magnetic x-ray scattering experiments have been performed on the pseudobinary compound USb0.8Te0.2. Both techniques reveal a succession of magnetic phases on cooling. On passing through the Neel temperature (T-N similar to 205 K), the system enters an antiferromagnetic (AF...... in the neutron and x-ray experiments are compared and discussed....

  4. 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)...

  5. 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...

  6. 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...

  7. 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.

  8. High Resolution X-ray Characterization Of Mosaic Crystals For Hard X- And Gamma-ray Astronomy

    Science.gov (United States)

    Marchini, L.; Ferrari, C.; Buffagni, E.; Zappettini, A.

    2011-09-01

    For hard X-ray astronomy in the 70-1000 keV energy range Laue lenses have been proposed where the focusing elements are made of single mosaic crystals, in order to increase the diffraction efficiency with respect to perfect crystals. Suitable crystals to be used for such application should have a sufficient density to increase the diffraction efficiency and a mosaicity ranging between 30 arcsec and 1-2 arcmin, depending on the lens focusing distance and resolution. In the past germanium and copper crystals, often employed as monochromators for neutrons, have been considered. In this work we propose several crystalline materials of different degree of crystal perfection such as GaAs, Cu, CdTe, and CdZnTe as possible mosaic crystals for hard X-ray astronomy. They were analyzed by high resolution X-ray diffraction at 8 keV and by diffraction at energies up to 700 keV at synchrotron. It was found that: CdTe and CdZnTe crystals exhibit low angle grain boundaries preventing the formation of a single diffracted X-ray beam; Cu crystals exhibit mosaicity of the order of several arcmin, however a deep etching is needed to remove the cutting damage; GaAs crystals grown by LEC method show mosaicity between 15 and 30 arcsec and good diffraction efficiency up to energies of 700 keV. Annealing and surface damage were considered as possible methods to increase the GaAs crystal mosaicity.

  9. 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...

  10. 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.

  11. In-situ neutron diffraction of LaCoO3 perovskite under uniaxial compression. I. Crystal structure analysis and texture development

    Science.gov (United States)

    Aman, Amjad; Chen, Yan; Lugovy, Mykola; Orlovskaya, Nina; Reece, Michael J.; Ma, Dong; Stoica, Alexandru D.; An, Ke

    2014-07-01

    The dynamics of texture formation, changes in crystal structure, and stress accommodation mechanisms have been studied in perovskite-type R3¯c rhombohedral LaCoO3 during uniaxial compression using in-situ neutron diffraction. The in-situ neutron diffraction revealed the complex crystallographic changes causing the texture formation and significant straining along certain crystallographic directions during compression, which are responsible for the appearance of hysteresis and non-linear ferroelastic deformation in the LaCoO3 perovskite. The irreversible strain after the first loading was connected with the appearance of non-recoverable changes in the intensity ratio of certain crystallographic peaks, causing non-reversible texture formation. However, in the second loading/unloading cycle, the hysteresis loop was closed and no further irrecoverable strain appeared after deformation. The significant texture formation is responsible for an increase in the Young's modulus of LaCoO3 at high compressive stresses, ranging from 76 GPa at the very beginning of the loading to 194 GPa at 900 MPa at the beginning of the unloading curve.

  12. In-situ neutron diffraction of LaCoO3 perovskite under uniaxial compression. I. Crystal structure analysis and texture development

    Energy Technology Data Exchange (ETDEWEB)

    Aman, Amjad [ORNL; Chen, Yan [ORNL; Lugovy, Mykola [University of Central Florida; Orlovskaya, Nina [ORNL; Reece, Michael John [University of London; Ma, Dong [ORNL; Stoica, Alexandru Dan [ORNL; An, Ke [ORNL

    2014-01-01

    The dynamics of texture formation, changes in crystal structure and stress accommodation mechanisms are studied in R3c rhombohedral LaCoO3 perovskite during in-situ uniaxial compression experiment by neutron diffraction. The neutron diffraction revealed the complex crystallographic changes causing the texture formation and significant straining along certain crystallographic directions during in-situ compression, which are responsible for the appearance of hysteresis and non-linear ferroelastic deformation in LaCoO3 perovskite. The irreversible strain after the first loading was connected with the appearance of non-recoverable changes in the intensity ratio of certain crystallographic peaks, causing non-reversible texture formation. However in the second loading/unloading cycle the hysteresis loop was closed and no irreversible strain appears after deformation. The significant texture formation is responsible for increase in the Young s modulus of LaCoO3 at high compressive loads, where the reported values of Young s modulus increase from 76 GPa measured at the very beginning of the loading to 194 GPa at 900 MPa applied compressive stress measured at the beginning of the unloading curve.

  13. 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)

  14. Combined X-ray and neutron diffraction study of vacancies and disorder in the dimorphic clathrate Ba8Ga16Sn30 of type I and VIII.

    Science.gov (United States)

    Christensen, Sebastian; Avila, Marcos A; Suekuni, Koichiro; Piltz, Ross; Takabatake, Toshiro; Christensen, Mogens

    2013-10-01

    We report detailed structural investigations of the dimorphic clathrate Ba8Ga16Sn30 that crystallizes in both type I and VIII clathrate structures. Single crystals of type I and VIII have been examined using single crystal X-ray and Laue neutron diffraction in the temperature range T = 10 K-500 K. The utilization of both X-ray and neutron diffraction gives a unique ability to reveal the occurrence of minute vacancy occupancies in the host structure. The vacancies are shown to be located on the 6c (type I) and 24g (type VIII) framework sites. Largest vacancy densities are observed for type I p-Ba8Ga16Sn30, 1.3(4)%, and type VIII n-Ba8Ga16Sn30, 0.7(2)%. The relation between guest atom disorder and occurrence of glasslike thermal conductivity in intermetallic clathrates was also investigated. In type VIII Ba8Ga16Sn30 neither n-type (crystalline thermal conductivity) nor p-type (glasslike thermal conductivity) showed any significant disorder of the guest atoms; they do however show anharmonic motion. The glasslike thermal conductivity of p-type Ba8Ga16Sn30 is interpretable as a result of higher effective mass of p-type charge-carriers affecting phonon scattering. In type I Ba8Ga16Sn30 guest atoms are highly disordered for both carrier types and samples of both charge carrier types have glasslike thermal conductivity.

  15. In-Situ High Temperature Neutron Diffraction Study of Bi,Pb(2223) Phase Formation in Ag-Sheathed Monofilamentary Tapes

    Science.gov (United States)

    Giannini, E.; Bellingeri, E.; Passerini, R.; Flükiger, R.

    High temperature neutron diffraction measurements were performed on Bi(2223)/Ag-sheathed monofilamentary tapes at the ILL high-flux reactor in Grenoble. Reactions leading to the conversion from Bi(2212) to Bi,Pb(2223), as well as other transformations involving secondary phases, were directly observed during the reaction heat treatment. The heating ramp and annealing conditions were exactly the same as those used for standard high-performance tapes processing. A quantitative analysis was carried out by means of a full-pattern profile refinement technique: up to 7 phases were simultaneously detected and successfully refined. An increase of the Bi(2212) phase during a slow cooling was found not to be related to a decomposition of Bi,Pb(2223), which remained stable during cooling. The role of secondary cuprates, in particular (Ca,Sr)14Cu24 O41, was investigated. Since neutron diffraction allows for an absolute measurement of the weight of crystalline matter inside the sample, it was possible to measure the total crystalline matter amount as a function of temperature and time during processing. Evidence of partial melting at high temperature was found strongly supporting the Bi,Pb(2223) formation via a nucleation-and-growth mechanism at the early stage of the process.

  16. Application of neutron diffraction in characterization of texture evolution during high-temperature creep in magnesium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, Sven C [Los Alamos National Laboratory; Sediako, Dimitry [CANADIAN NEUTRON BEAM; Shook, S [APPLIED MAGNESIUM INTERNATIONAL; Sediako, A [MCGILL UNIV

    2010-01-01

    A good combination of room-temperature and elevated temperature strength and ductility, good salt-spray corrosion resistance and exceUent diecastability are frequently among the main considerations in development of a new alloy. Unfortunately, there has been much lesser effort in development of wrought-stock alloys for high temperature applications. Extrudability and high temperature performance of wrought material becomes an important factor in an effort to develop new wrought alloys and processing technologies. This paper shows some results received in creep testing and studies of in-creep texture evolution for several wrought magnesium alloys developed for use in elevated-temperature applications. These studies were performed using E3 neutron spectrometer of the Canadian Neutron Beam Centre in Chalk River, ON, and HIPPO time-of-flight (TOF) spectrometer at Los Alamos Neutron Science Center, NM.

  17. 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.

  18. 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

  19. Neutron diffraction and TSDC on Ba1−xUxF2+2x solid electrolytes

    DEFF Research Database (Denmark)

    Ouwerkerk, M.; Andersen, N. H.; Veldkamp, F. F.

    1986-01-01

    The defect structure of fluorite-type Ba1−xUxF2+2x solid solutions, which exhibit fast fluoride ion conductivity, has been investigated by quasi-elastic diffuse neutron scattering (QDNS) experiments, and thermally stimulated depolarisation current (TSDC) measurements. A comparison with model...

  20. Suppression of magnetic order in CaCo1.86As2 with Fe substitution: Magnetization, neutron diffraction, and x-ray diffraction studies of Ca (Co1-xFex) yAs2

    Science.gov (United States)

    Jayasekara, W. T.; Pandey, Abhishek; Kreyssig, A.; Sangeetha, N. S.; Sapkota, A.; Kothapalli, K.; Anand, V. K.; Tian, W.; Vaknin, D.; Johnston, D. C.; McQueeney, R. J.; Goldman, A. I.; Ueland, B. G.

    2017-02-01

    Magnetization, neutron diffraction, and high-energy x-ray diffraction results for Sn-flux grown single-crystal samples of Ca (Co1-xFex) yAs2 , 0 ≤x ≤1 , 1.86 ≤y ≤2 , are presented and reveal that A-type antiferromagnetic order, with ordered moments lying along the c axis, persists for x ≲0.12 (1 ) . The antiferromagnetic order is smoothly suppressed with increasing x , with both the ordered moment and Néel temperature linearly decreasing. Stripe-type antiferromagnetic order does not occur for x ≤0.25 , nor does ferromagnetic order for x up to at least x =0.104 , and a smooth crossover from the collapsed-tetragonal (cT) phase of CaCo1.86As2 to the tetragonal (T) phase of CaFe2As2 occurs. These results suggest that hole doping CaCo1.86As2 has a less dramatic effect on the magnetism and structure than steric effects due to substituting Sr for Ca.

  1. 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 ...

  2. 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…

  3. 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

  4. 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

  5. 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

  6. 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.

  7. Neutron diffraction study of the formation kinetics of ordered antiphase domains in titanium carbohydride TiC{sub x}H{sub y}

    Energy Technology Data Exchange (ETDEWEB)

    Khidirov, I., E-mail: khidirov@inp.uz [Uzbekistan Academy of Sciences, Institute of Nuclear Physics (Uzbekistan)

    2015-09-15

    The kinetics of formation and growth of ordered antiphase domains (APDs) in titanium carbohydride TiC{sub 0.50}H{sub 0.21} has been investigated by neutron diffraction. A model of ordered APDs is proposed. It is established that the pronounced ordering of interstitial atoms and APDs begin at 450°C. It is shown that the period of ordered APDs (P ≈ 10–12) is independent of the exposure time at a constant temperature. It is found that the temperature of ordered APDs, T{sub OAPD}, increases nonlinearly with an increase in the carbon concentration in the range 0.50 ≤ C/Ti ≤ 0.70. The formation temperature of ordered APDs is found to correlate with the concentration dependence of the order–disorder transition temperature and be 0.60 of the order–disorder transition temperature: T{sub APD} = 0.60Τ{sub C}.

  8. Local Jahn-Teller distortion in La{sub 1{minus}x}Sr{sub x}MnO{sub 3} observed by pulsed neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Louca, D.; Egami, T. [Department of Materials Science and Engineering and Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Brosha, E.L.; Roeder, H.; Bishop, A.R. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    1997-10-01

    The atomic pair-density function of La{sub 1{minus}x}Sr{sub x}MnO{sub 3} (0{le}x{le}0.4) obtained by pulsed neutron diffraction indicates that their local atomic structure significantly deviates from the average structure, and that the local Jahn-Teller (JT) distortion persists even when the crystallographic structure shows no JT distortion. In the paramagnetic insulating phase doped holes form one-site small polarons, represented by the local absence of JT distortion. The polarons become more extended at low temperatures, but local distortions are found even in the metallic phase. The role of polarons in the phase transitions in transport and magnetic properties are discussed. {copyright} {ital 1997} {ital The American Physical Society}

  9. In Situ Neutron Diffraction Study of the Influence of Microstructure on the Mechanical Response of Additively Manufactured 304L Stainless Steel

    Science.gov (United States)

    Brown, D. W.; Adams, D. P.; Balogh, L.; Carpenter, J. S.; Clausen, B.; King, G.; Reedlunn, B.; Palmer, T. A.; Maguire, M. C.; Vogel, S. C.

    2017-12-01

    In situ neutron diffraction measurements were completed during tensile and compressive deformation of stainless steel 304L additively manufactured (AM) using a high power directed energy deposition process. Traditionally produced wrought 304L material was also studied for comparison. The AM material exhibited roughly 200 MPa higher flow stress relative to the wrought material. Crystallite size, crystallographic texture, dislocation density, and lattice strains were all characterized to understand the differences in the macroscopic mechanical behavior. The AM material's initial dislocation density was about 10 times that of the wrought material, and the flow strength of both materials obeyed the Taylor equation, indicating that the AM material's increased yield strength was primarily due to greater dislocation density. Also, a 50 MPa flow strength tension/compression asymmetry was observed in the AM material, and several potential causes were examined.

  10. Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study.

    Science.gov (United States)

    Zhu, Jinlong; Wang, Yonggang; Li, Shuai; Howard, John W; Neuefeind, Jörg; Ren, Yang; Wang, Hui; Liang, Chengdu; Yang, Wenge; Zou, Ruqiang; Jin, Changqing; Zhao, Yusheng

    2016-06-20

    Na-rich antiperovskites are recently developed solid electrolytes with enhanced sodium ionic conductivity and show promising functionality as a novel solid electrolyte in an all solid-state battery. In this work, the sodium ionic transport pathways of the parent compound Na3OBr, as well as the modified layered antiperovskite Na4OI2, were studied and compared through temperature-dependent neutron diffraction combined with the maximum entropy method. In the cubic Na3OBr antiperovskite, the nuclear density distribution maps at 500 K indicate that sodium ions hop within and among oxygen octahedra, and Br(-) ions are not involved. In the tetragonal Na4OI2 antiperovskite, Na ions, which connect octahedra in the ab plane, have the lowest activation energy barrier. The transport of sodium ions along the c axis is assisted by I(-) ions.

  11. Novel Pr-Cu magnetic phase at low temperature in PrBa2Cu3O6+x observed by neutron diffraction

    DEFF Research Database (Denmark)

    Boothroyd, A.T.; Longmore, A.; Andersen, N.H.

    1997-01-01

    We have studied by neutron diffraction the magnetic ordering in Al-free crystals of PrBa2Cu3O6+x (x = 0.35 and 0.92) that do not display the AFII Cu magnetic phase. Wt find that the Pr ordering below 20 K is accompanied by a counterrotation of the Cu antiferromagnetism on each plane of the bilayer....... The maximum turn angle between the two planes is 60 degrees +/- 9 degrees for the x = 0.92 crystal, and 40 degrees +/- 11 degrees for the x = 0.35 crystal. This is the first observation of a noncollinear ordering of Cu moments in the bilayer, and is evidence for significant magnetic coupling between the Cu...

  12. In Situ Neutron Diffraction Study of the Influence of Microstructure on the Mechanical Response of Additively Manufactured 304L Stainless Steel

    Science.gov (United States)

    Brown, D. W.; Adams, D. P.; Balogh, L.; Carpenter, J. S.; Clausen, B.; King, G.; Reedlunn, B.; Palmer, T. A.; Maguire, M. C.; Vogel, S. C.

    2017-10-01

    In situ neutron diffraction measurements were completed during tensile and compressive deformation of stainless steel 304L additively manufactured (AM) using a high power directed energy deposition process. Traditionally produced wrought 304L material was also studied for comparison. The AM material exhibited roughly 200 MPa higher flow stress relative to the wrought material. Crystallite size, crystallographic texture, dislocation density, and lattice strains were all characterized to understand the differences in the macroscopic mechanical behavior. The AM material's initial dislocation density was about 10 times that of the wrought material, and the flow strength of both materials obeyed the Taylor equation, indicating that the AM material's increased yield strength was primarily due to greater dislocation density. Also, a 50 MPa flow strength tension/compression asymmetry was observed in the AM material, and several potential causes were examined.

  13. Crystal structure of acetanilide at 15 and 295 K by neutron diffraction. Lack of evidence for proton transfer along the N-H...O hydrogen bond

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, S.W.; Eckert, J. [Los Alamos National Lab., NM (United States); Barthes, M. [Universite Montpellier II (France); McMullan, R.K. [Brookhaven National Lab., Upton, NY (United States); Muller, M. [Universite Lille I, Villeneuve d`Ascq (France)

    1995-11-02

    The crystal structure of acetanilide C{sub 8}H{sub 9}NO, M{sub r} = 135.17, orthorhombic, space group Pbca, Z=8, has been determined from neutron diffraction data at 15 and 295 K. The crystal data obtained are presented. This new investigation of the structure of acetanilide has been undertaken in order to assess a recent suggestion that confirmational substates in the amide proton position may be responsible for the vibrational anomalies. We found no evidence for multiple conformations or transfer along the N-H...O hydrogen bond of the amide proton at either temperature. However the intramolecular O...H6 distance from O to the nearest phenyl ring proton is unusually short and the amide proton has relatively close contacts with one of the phenyl and one of the methyl protons, which may well affect the vibrational parameters of the respective molecular groups. 44 refs., 6 figs., 5 tabs.

  14. Characterization of white poplar and eucalyptus after ionic liquid pretreatment as a function of biomass loading using X-ray diffraction and small angle neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Xueming [Beijing Univ. of Chemical Technology (China); Duan, Yonghao [Beijing Univ. of Chemical Technology (China); He, Lilin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Singh, Seema [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Joint BioEnergy Inst. (JBEI), Emeryville, CA (United States); Simmons, Blake [Joint BioEnergy Inst. (JBEI), Emeryville, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Cheng, Gang [Beijing Univ. of Chemical Technology (China); Joint BioEnergy Inst. (JBEI), Emeryville, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2017-02-08

    A systematic study was done to understand interactions among biomass loading during ionic liquid (IL) pretreatment, biomass type and biomass structures. White poplar and eucalyptus samples were pretreated using 1-ethyl-3-methylimidazolium acetate (EmimOAc) at 110 °C for 3 h at biomass loadings of 5, 10, 15, 20 and 25 wt%. All of the samples were chemically characterized and tested for enzymatic hydrolysis. Physical structures including biomass crystallinity and porosity were measured by X-ray diffraction (XRD) and small angle neutron scattering (SANS), respectively. SANS detected pores of radii ranging from ~25 to 625 Å, enabling assessment of contributions of pores with different sizes to increased porosity after pretreatment. Contrasting dependences of sugar conversion on white poplar and eucalyptus as a function of biomass loading were observed and cellulose crystalline structure was found to play an important role.

  15. In-situ time-of-flight neutron diffraction of ErD2 (beta phase) formation during D2 loading.

    Energy Technology Data Exchange (ETDEWEB)

    Browning, James Frederick (Oak Ridge National Laboratory, Oak Ridge, TN); Llobet, Anna (Los Alamos National Laboratory, Los Alamos, NM); Snow, Clark Sheldon; Rodriguez, Mark Andrew; Wixom, Ryan R.

    2008-06-01

    In an effort to better understand the structural changes occurring during hydrogen loading of erbium target materials, we have performed D{sub 2} loading of erbium metal (powder) with simultaneous neutron diffraction analysis. This experiment tracked the conversion of Er metal to the {alpha} erbium deuteride (solid-solution) phase and then on to the {beta} (fluorite) phase. Complete conversion to ErD{sub 2.0} was accomplished at 10 Torr D{sub 2} pressure with deuterium fully occupying the tetrahedral sites in the fluorite lattice. Increased D{sub 2} pressure (up to 500 Torr at 450 C) revealed {approx}10 % deuterium occupation of the octahedral sites. Subsequent vacuum pumping of the sample at 450 C removed octahedral site occupancy while maintaining tetrahedral deuterium occupancy, thereby yielding stoichiometric ErD{sub 2.0} {beta} phase.

  16. Hydrogen molecule binding to unsaturated metal sites in metal-organic frameworks studied by neutron powder diffraction and inelastic neutron scattering

    Science.gov (United States)

    Liu, Yun; Brown, Craig; Neumann, Dan; Dinca, Mircea; Long, Jeffrey; Peterson, Vanessa; Kepert, Cameron

    2007-03-01

    Metal organic framework (MOF) materials have shown considerable potential for hydrogen storage arising from very large surface areas. However, the low binding energy of hydrogen molecules limits its storage capability to very low temperatures (hydrogen adsorption sites in a selected series of MOF materials with exposed unsaturated metal ions. Direct binding between the unsaturated metal ions and hydrogen molecules is observed and responsible for the enhanced initial hydrogen adsorption enthalpy. The different metals centers in these MOFs show different binding strength and interaction distances between the hydrogen molecule and metal ions. The organic linker also affects the overall H2 binding strength. Inelastic neutron scattering spectra of H2 in these MOFs are also discussed.

  17. Cation distribution and crystallographic characterization of the spinel oxides MgCr{sub x}Fe{sub 2−x}O{sub 4} by neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Zakaria, A.K.M., E-mail: zakaria6403@yahoo.com [Institute of Nuclear Science & Technology, Bangladesh Atomic Energy Commission, Dhaka (Bangladesh); Nesa, Faizun [Department of Natural Science, Daffodil International University, Dhaka (Bangladesh); Department of Physics, Jahangirnagar University, Savar, Dhaka (Bangladesh); Saeed Khan, M.A. [Department of Physics, Jahangirnagar University, Savar, Dhaka (Bangladesh); Datta, T.K.; Aktar, Sanjida; Liba, Samia Islam; Hossain, Shahzad; Das, A.K.; Kamal, I.; Yunus, S.M. [Institute of Nuclear Science & Technology, Bangladesh Atomic Energy Commission, Dhaka (Bangladesh); Eriksson, S.-G. [Department of Chemical and Biological Engineering, Chalmers University of Technology, Gothenburg (Sweden)

    2015-06-05

    Highlights: • MgCr{sub x}Fe{sub 2−x}O{sub 4} ferrites crystallize at 1300 °C and possess cubic symmetry. • Cation distribution and crystallographic parameters have been determined precisely. • Cell parameter decreases with increasing Cr content in the system. • Ferrimagnetic ordering was found at room temperature for all the samples. - Abstract: The spinel system MgCr{sub x}Fe{sub 2−x}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) has been prepared by solid state sintering method in air at 1573 K. X-ray and neutron powder diffraction experiments have been performed on the samples at room temperature for structural characterization. Rietveld refinement of the neutron diffraction data reveals that all the samples of the series possess cubic symmetry corresponding to the space group F d-3m. The distribution of the three cations Mg, Fe and Cr over the two sublattices and other crystallographic parameters has been determined precisely. The results reveal that Cr has been substituted for Fe selectively. Cr ions invariably occupy the octahedral (B) site for all values of x. Mg and Fe ions are distributed over both A and B sites for all x values. With increasing x the occupation of Mg increases in the A site and decreases in the B site for all the samples, while the Fe ions gradually decreases in both the sites for all values of x. The lattice constant decreases with increasing Cr content in the system. The magnetic structure at room temperature was ferrimagnetic for all the samples.

  18. Metal ion roles and the movement of hydrogen during the reaction catalyzed by d-xylose isomerase: a joint X-ray and neutron diffraction study

    Science.gov (United States)

    Kovalevsky, Andrey Y.; Hanson, Leif; Fisher, S. Zoe; Mustyakimov, Marat; Mason, Sax; Forsyth, Trevor; Blakeley, Matthew P.; Kean, David. A.; Wagner, Trixie; Carrell, H. L.; Katz, Amy K.; Glusker, Jenny P.; Langan, Paul

    2010-01-01

    SUMMARY Conversion of aldo to keto sugars by the metalloenzyme d-xylose isomerase (XI) is a multi-step reaction involving hydrogen transfer. We have determined the structure of this enzyme by neutron diffraction in order to locate H atoms (or their isotope D). Two studies are presented, one of XI containing cadmium and cyclic d-glucose (before sugar ring opening has occurred), and the other containing nickel and linear d-glucose (after ring opening has occurred but before isomerization). Previously we reported the neutron structures of ligand-free enzyme and enzyme with bound product. Data show that His54 is doubly protonated on the ring N in all four structures. Lys289 is neutral before ring opening, and gains a proton after this, the catalytic metal-bound water is deprotonated to hydroxyl during isomerization and O5 is deprotonated. These results lead to new suggestions as to how changes might take place over the course of the reaction. PMID:20541506

  19. 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.

  20. Reply to ``Comment on `Magnetic field effects on neutron diffraction in the antiferromagnetic phase of $UPt_3$'''

    OpenAIRE

    Moreno, Juana; Sauls, J A

    2002-01-01

    Fak, van Dijk and Wills (FDW) question our interpretation of elastic neutron-scattering experiments in the antiferromagnetic phase of UPt_3. They state that our analysis is incorrect because we average over magnetic structures that are disallowed by symmetry. We disagree with FDW and reply to their criticism. FDW also point out that we have mistaken the magnetic field direction in the experiment reported by N. H. van Dijk et al. [Phys. Rev. B 58, 3186 (1998)]. We correct this error and note t...

  1. Residual stress state in an induction hardened steel bar determined by synchrotron- and neutron diffraction compared to results from lab-XRD

    Energy Technology Data Exchange (ETDEWEB)

    Holmberg, Jonas, E-mail: jonas.holmberg@swerea.se [Swerea IVF AB, Argongatan 30, 431 22 Mölndal (Sweden); University West, 461 86 Trollhättan (Sweden); Steuwer, Axel [Nelson Mandela Metropolitan University, Gardham Avenue, 6031 Port Elizabeth (South Africa); Stormvinter, Albin; Kristoffersen, Hans [Swerea IVF AB, Argongatan 30, 431 22 Mölndal (Sweden); Haakanen, Merja [Stresstech OY, Tikkutehtaantie 1, 40 800 Vaajakoski (Finland); Berglund, Johan [Swerea IVF AB, Argongatan 30, 431 22 Mölndal (Sweden)

    2016-06-14

    Induction hardening is a relatively rapid heat treatment method to increase mechanical properties of steel components. However, results from FE-simulation of the induction hardening process show that a tensile stress peak will build up in the transition zone in order to balance the high compressive stresses close to the surface. This tensile stress peak is located in the transition zone between the hardened zone and the core material. The main objective with this investigation has been to non-destructively validate the residual stress state throughout an induction hardened component. Thereby, allowing to experimentally confirming the existence and magnitude of the tensile stress peak arising from rapid heat treatment. For this purpose a cylindrical steel bar of grade C45 was induction hardened and characterised regarding the microstructure, hardness, hardening depth and residual stresses. This investigation shows that a combined measurement with synchrotron/neutron diffraction is well suited to non-destructively measure the strains through the steel bar of a diameter of 20 mm and thereby making it possible to calculate the residual stress profile. The result verified the high compressive stresses at the surface which rapidly changes to tensile stresses in the transition zone resulting in a large tensile stress peak. Measured stresses by conventional lab-XRD showed however that at depths below 1.5 mm the stresses were lower compared to the synchrotron and neutron data. This is believed to be an effect of stress relaxation from the layer removal. The FE-simulation predicts the depth of the tensile stress peak well but exaggerates the magnitude compared to the measured results by synchrotron/neutron measurements. This is an important knowledge when designing the component and the heat treatment process since this tensile stress peak will have great impact on the mechanical properties of the final component.

  2. Bond lengths in organic and metal-organic compounds revisited: X-H bond lengths from neutron diffraction data.

    Science.gov (United States)

    Allen, Frank H; Bruno, Ian J

    2010-06-01

    The number of structures in the Cambridge Structural Database (CSD) has increased by an order of magnitude since the preparation of two major compilations of standard bond lengths in mid-1985. It is now of interest to examine whether this huge increase in data availability has implications for the mean bond-length values published in the late 1980s. Those compilations reported mean X-H bond lengths derived from rather sparse information and for rather few chemical environments. During the intervening years, the number of neutron studies has also increased, although only by a factor of around 2.25, permitting a new analysis of X-H bond-length distributions for (a) organic X = C, N, O, B, and (b) a variety of terminal and homometallic bridging transition metal hydrides. New mean values are reported here and are compared with earlier results. These new overall means are also complemented by an analysis of X-H distances at lower temperatures (T chemical environments for which statistically acceptable mean X-H bond lengths can be obtained, although values from individual structures are also collated to further extend the chemical range of this compilation. Updated default 'neutron-normalization' distances for use in hydrogen-bond and deformation-density studies are also proposed for C-H, N-H and O-H, and the low-temperature analysis provides specific values for certain chemical environments and hybridization states of X.

  3. Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme.

    Science.gov (United States)

    Bon, C; Lehmann, M S; Wilkinson, C

    1999-05-01

    Triclinic crystals of lysozyme, hydrogen-deuterium exchanged in deuterated solvent, have been studied using neutron quasi-Laue techniques and a newly developed cylinder image-plate detector. The wavelength range employed was from 2.7 to 3.5 A, which gave 9426 significant reflections [F >/= 2sigma(F)] to a resolution limit of 1. 7 A. The deuteration states of the H atoms in the protein molecule were identified, followed by an extensive analysis of the water structure surrounding the protein. The final R factor was 20.4% (Rfree = 22.1%). In total, the 244 observed water molecules form approximately one layer of water around the protein with far fewer water molecules located further away. Water molecules covering the apolar patches make tangential layers at 4-5 A from the surface or form C-H...O contacts, and several water-molecule sites can be identified in the apolar cavities. Many of the water molecules are apparently orientationally disordered, and only 115 out of the 244 water molecules sit in mean single orientations. Comparison of these results with quasi-elastic neutron scattering observations of the water dynamics leads to a picture of the water molecules forming an extended constantly fluctuating network covering the protein surface.

  4. 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...

  5. 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.

  6. 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.

  7. 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...

  8. 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

  9. 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,

  10. High resolution gamma-ray spectrometry of culverts containing transuranic waste at the Savannah River Site

    Energy Technology Data Exchange (ETDEWEB)

    Hofstetter, K.J.; Sigg, R.

    1990-12-31

    A number of concrete culverts used to retrievably store drummed, dry, radioactive waste at the Savannah River Site (SRS), were suspected of containing ambiguous quantities of transuranic (TRU) nuclides. These culverts were assayed in place for Pu-239 content using thermal and fast neutron counting techniques. High resolution gamma-ray spectroscopy on 17 culverts, having neutron emission rates several times higher than expected, showed characteristic gamma-ray signatures of neutron emitters other than Pu-239 (e.g., Pu-238, Pu/Be, or Am/Be neutron sources). This study confirmed the Pu-239 content of the culverts with anomalous neutron rates and established limits on the Pu-239 mass in each of the 17 suspect culverts by in-field, non-intrusive gamma-ray measurements.

  11. A-site order–disorder in the NdBaMn2O5+δ SOFC electrode material monitored in situ by neutron diffraction under hydrogen flow

    KAUST Repository

    Tonus, Florent

    2017-05-11

    The A-site disordered perovskite manganite, Nd0.5Ba0.5MnO3, has been obtained by heating the A-site-ordered and vacancy ordered layered double perovskite, NdBaMn2O5, in air at 1300 °C for 5 h. Combined transmission electron microscopy (TEM) images and neutron powder diffraction (NPD) analysis at 25 °C revealed that Nd0.5Ba0.5MnO3 has a pseudotetragonal unit cell with orthorhombic symmetry (space group Imma, √2ap × 2ap × √2ap) at 20 °C with the cell dimensions a = 5.503(1) Å, b = 7.7962(4) Å, c = 5.502(1) Å, in contrast to Pm[3 with combining macron]m or Cmcm that have been previously stated from X-ray diffraction studies. The in situ neutron diffraction study carried out on Nd0.5Ba0.5MnO3 in hydrogen flow up to T ∼ 900 °C, allows monitoring the A-site cation disorder–order structural phase transition of this representative member of potential SOFC anode materials between air sintering conditions and hydrogen working conditions. Oxygen loss from Nd0.5Ba0.5MnO3 proceeds with retention of A-site disorder until the oxygen content reaches the Nd0.5Ba0.5MnO2.5 composition at 600 °C. The phase transition to layered NdBaMn2O5 and localization of the oxygen vacancies in the Nd layer proceeds at 800 °C with retention of the oxygen content. Impedance spectroscopy measurements for the oxidized A-site ordered electrode material, NdBaMn2O6, screen printed on a Ce0.9Gd0.1O2−δ (CGO) electrolyte showed promising electrochemical performance in air at 700 °C with a polarization resistance of 1.09 Ω cm2 without any optimization.

  12. 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.

  13. A search for disorder in the spin glass double perovskites Sr(2)CaReO(6) and Sr(2)MgReO(6) using neutron diffraction and neutron pair distribution function analysis.

    Science.gov (United States)

    Greedan, J E; Derakhshan, Shahab; Ramezanipour, F; Siewenie, J; Proffen, Th

    2011-04-27

    The geometrically frustrated, B-site ordered, S = 1/2, double perovskites Sr(2)CaReO(6) and Sr(2)MgReO(6), which show spin frozen magnetic ground states, have been investigated using neutron powder diffraction (ND) and neutron pair distribution function (NPDF) analysis in a search for evidence for atomic positional disorder. For both materials, data were taken above and below the spin freezing temperatures of ∼ 14 K and ∼ 45 K for the CaRe and MgRe phases, respectively. In both cases the fully B-site ordered model was in excellent agreement with the data, both ND and NPDF, at all temperatures studied. Thus, the structure of these materials, from the average and the local perspectives, is very well described by the fully B-site ordered model, which raises questions concerning the origin of the spin glass ground state. These results are compared with those for the spin glass pyrochlore Y(2)Mo(2)O(7) and other B-site ordered double perovskites.

  14. Heat capacity and neutron diffraction studies on the frustrated magnetic Co{sub 2}(OH)(PO{sub 4}){sub 1-x}(AsO{sub 4}){sub x} [0{<=}x{<=}1] solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Pedro, I. de, E-mail: depedrovm@unican.es [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain); Departamento de Quimica Inorganica, Facultad de Ciencia y Tecnologia, Universidad del Pais Vasco, 48080 Bilbao (Spain); Rojo, J.M. [Departamento de Quimica Inorganica, Facultad de Ciencia y Tecnologia, Universidad del Pais Vasco, 48080 Bilbao (Spain); Rodriguez Fernandez, J.; Sanchez Marcos, J. [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander (Spain); Fernandez-Diaz, M.T. [Institut Laue-Langevin, BP 156X, F-38042 Grenoble Cedex (France); Rojo, T. [Departamento de Quimica Inorganica, Facultad de Ciencia y Tecnologia, Universidad del Pais Vasco, 48080 Bilbao (Spain)

    2012-04-15

    The Co{sub 2}(OH)(PO{sub 4}){sub 1-x}(AsO{sub 4}){sub x} [0{<=}x{<=}1] solid solution exhibits a complex magnetic behaviour due to the bond-frustration in its magnetic structure. Heat capacity measurements of the (x=0.1-0.5) phases show a three-dimensional magnetic ordering ({lambda} anomaly) that shifts to lower temperatures and becomes broader as the AsO{sub 4}{sup 3-} content increases. For x=0.75, no significant feature was observed whereas for higher arsenate ion content, x=0.9 and 1, a small maximum was detected. The magnetic structures of solid solution are consistent with the existence of predominant antiferromagnetic superexchange interactions through the |OH| and |XO{sub 4}| (X=P and As) groups between the Co{sup +2} ions. The substitution of PO{sub 4}{sup 3-} by AsO{sub 4}{sup 3-} anions by more than 90% substantially modifies the magnetic exchange pathways in the solid solution, leading to an incommensurate antiferromagnetic structure in Co{sub 2}(OH)(PO{sub 4}){sub 1-x}(AsO{sub 4}){sub x} [x=0.9 and 1] phases. - Graphical abstract: Magnetic structures of Co{sub 2}(OH)(PO{sub 4}){sub 1-x}(AsO{sub 4}){sub x} [0{<=}x{<=}1]. The ordering of the magnetic moments of Co{sup 2+} is in c direction for the two crystallographic positions (dimers and chains) in all compounds. The unit cell is surrounded by a red line. Highlights: Black-Right-Pointing-Pointer Synthesis of a new adamite-type compounds, Co{sub 2}(OH)(PO{sub 4}){sub 1-x}(AsO{sub 4}){sub x} (0.1, 0.25, 0.5, 0.75, 0.9) phases. Black-Right-Pointing-Pointer Co{sub 2}(OH)(PO{sub 4}){sub 1-x}(AsO{sub 4}){sub x} (0-1) solid solution; magnetic frustrated system. Black-Right-Pointing-Pointer High resolution neutron powder diffraction to determine the crystal structures. Black-Right-Pointing-Pointer Incommensurate magnetic structures at low temperature. Black-Right-Pointing-Pointer Magnetostructural correlations in cobalt-based Co{sub 2}(OH)XO{sub 4} (X=P and As) insulation compounds.

  15. Neutron diffraction study of anomalous high-field magnetic phases in TmNi2B2C

    DEFF Research Database (Denmark)

    Toft, K.N.; Abrahamsen, A.B.; Eskildsen, M.R.

    2004-01-01

    We present a (B,T)-phase diagram of the magnetic superconductor TmNi2B2C obtained by neutron scattering. The measurements were performed in magnetic fields up to 6 T applied along the crystalline a axis. The observed phases are characterized by three ordering vectors, Q(F)=(0.094,0.094,0),Q(AI)=(0.......90Yb0.10)Ni2B2C the Q(F)-->Q(AI) phase transition is also observed but at a larger transition field compared to the undoped compound. In (Tm0.85Yb0.15)Ni2B2C the Q(F) phase persists up to at least 1.8 T. The magnetic correlation length of the Q(AI) phase in TmNi2B2C measured parallel and perpendicular...

  16. Structural and energetical studies of the adsorption of para and meta-isomers of xylene on pre-hydrated zeolite BaX. Characterization by neutron diffraction and temperature programmed desorption; Etude structurale et energetique de l'adsorption des isomeres para- et meta- du xylene dans la zeolithe BaX prehydratee. Caracterisation par diffraction des neutrons et thermodesorption programmee

    Energy Technology Data Exchange (ETDEWEB)

    Pichon, Ch.

    1999-10-19

    The separation of p-xylene from C{sub 8} aromatics is performed industrially by selective adsorption on zeolitic materials. FAU-type zeolites are currently used for this separation and especially the partially hydrated BaX. The aim of this work is to characterize from a structural (by low temperature neutron powder diffraction) and an energetical (by temperature programmed desorption) point of view, the adsorption of para- and meta- isomers of xylene, for different fillings, as pure substances as well as mixtures, on pre-hydrated zeolite BaX. The influence of the water pre-adsorption on xylene adsorption selectivity is carefully discussed. The crystalline structure of the zeolite BaX (framework and compensation of charge cations) and of the adsorbed phase (water, p- and m-xylene molecules) are completely characterized by neutron diffraction. The location and the distribution of water and xylene molecules on their adsorption sites is especially followed as a function of the filling of the zeolite and of the composition of the adsorbed phase. Microscopic measurements were correlated to the energetical analysis (at a macroscopic level) in order to obtain a consistent description of adsorption phenomenon and to propose a possible origin for adsorption selectivity.

  17. REFRACTIVE NEUTRON LENS

    OpenAIRE

    Petrov, P. V.; Kolchevsky, N. N.

    2013-01-01

    Compound concave refractive lenses are used for focusing neutron beam. Investigations of spectral and focusing properties of a refractive neutron lens are presented. Resolution of the imaging system on the base of refractive neutron lenses depends on material properties and parameters of neutron source. Model of refractive neutron lens are proposed. Results of calculation diffraction resolution and focal depth of refractive neutron lens are discussed.

  18. 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)

  19. Neutron scattering. Lectures

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2010-07-01

    The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Magnetic ordering of Mo2NiB2-type {Gd, Tb, Dy)2Co2Al compounds by magnetization and neutron diffraction study

    Science.gov (United States)

    Morozkin, A. V.; Genchel, V. K.; Garshev, A. V.; Yapaskurt, V. O.; Isnard, O.; Yao, Jinlei; Nirmala, R.; Quezado, S.; Malik, S. K.

    2017-11-01

    The magnetic ordering of Mo2NiB2-type {Gd, Tb, Dy}2Co2Al (Immm, No. 71, oI10) compounds has been established using bulk magnetic measurements and neutron diffraction study. Polycrystalline Gd2Co2Al, Tb2Co2Al and Dy2Co2Al undergo ferrimagnetic transitions (TC) at 78 K, 98 K and 58 K, respectively, and low-temperature field induced transition (Tm) around 15 K, 20 K and 15 K, respectively. Between Tm and TC Gd2Co2Al, Tb2Co2Al and Dy2Co2Al are soft ferrimagnets. Below Tm Gd2Co2Al is soft ferrimagnet, whereas Tb2Co2Al and Dy2Co2Al exhibit permanent magnet properties with residual magnetization per rare earth of 4.95 B and 4.8 B, respectively, and large coercive field of 72 kOe and 22 kOe, respectively, at 2 K. The magnetocaloric effects of Gd2Co2Al, Tb2Co2Al and Dy2Co2Al were calculated in terms of isothermal magnetic entropy change and they reach maximum values of -10.4 J/kg K, -7.6 J/kg K and -6.6 J/kg K for a field change of 50 kOe near 75 K, 98 K and 58 K, respectively. Low-temperature transition of Gd2Co2Al is followed by the magnetic entropy change of -2.9 J/kg K in a field change of 50 kOe at 15 K. Low temperature magnetic ordering with enhanced anisotropic effects in Tb2Co2Al and Dy2Co2Al is accompanied by a positive magnetocaloric effect with isothermal magnetic entropy changes of +19.9 J/kg K at 20 K (field change 0-50 kOe) and +2.7 J/kg K at 15 K (field change 0-10 kOe), respectively. Neutron diffraction study shows that, in zero applied field, Tb2Co2Al exhibits c-axis ferrimagnetic ordering with magnetic space group Immm‧ and propagation vector K0 = [0, 0, 0] below TCND ∼ 111 K with MTb = 8.86(15) B and MCo = 0.26(2) B at 2 K.

  5. Neutron beam applications - Development of operational techniques for neutron four-circle diffractometer and structure determination of C{sub 16}H{sub 15}NO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Moon Jib [Soonchunhyang University, Asan (Korea); Suh, Il Hwan [Chungnam National University, Taejon (Korea)

    1999-06-01

    We have been studied to find out the experimental methods and procedures for neutron diffraction method for neutron diffractometer in HANARO -the atomic research reactor in KAERI. We have studied experimental process for the neutron diffraction data analysis, using computer soft-wares such as SHELXS for the calculation the initial phase of crystal structure, SHELXL for refinement of atomic coordinate using least-squares method, ORTEP for the display of the calculated positions of molecule, and PATSEE for the calculation of the phase from the expected structure. In these studies, we analyzed the structure of test sample using these programs, and prepare the user's manual for these soft-wares. We have also studied on bending effect of monochromator in order to increase the intensity of neutron beam, and designed HRPD - High Resolution Powder Diffractometers. 7 refs., 6 figs. (Author)

  6. 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.

  7. 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...

  8. 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.

  9. 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.

  10. A neutron diffraction study of the crystal of benzoic acid from 6 to 293 K and a macroscopic-scale quantum theory of the lattice of hydrogen-bonded dimers

    Energy Technology Data Exchange (ETDEWEB)

    Fillaux, François, E-mail: francois.fillaux@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, UMR 8233, MONARIS, F-7505 Paris (France); Cousson, Alain, E-mail: alain-f.cousson@cea.fr [Laboratoire Léon Brillouin (CEA-CNRS), C.E. Saclay, 91191 Gif-sur-Yvette cedex (France)

    2016-11-10

    Highlights: • Proton transfer and tautomerism are revisited from quantum viewpoint. • Neutron-diffraction gives evidence for long-range correlations for protons. • We introduce a decoherence-free macroscopic-scale crystal-state. • All observations accord with the principle of complementarity. • Computational-chemistry models are inappropriate. - Abstract: Measurements via different techniques of the crystal of benzoic acid have led to conflicting conceptions of tautomerism: statistical disorder for diffraction; semiclassical jumps for relaxometry; quantum states for vibrational spectroscopy. We argue that these conflicts follow from the prejudice that nuclear positions and eigenstates are pre-existing to measurements, what is at variance with the principle of complementarity. We propose a self-contained quantum theory. First of all, new single-crystal neutron-diffraction data accord with long-range correlation for proton-site occupancies. Then we introduce a macroscopic-scale quantum-state emerging from phonon condensation, for which nuclear positions and eigenstates are indefinite. As to quantum-measurements, an incoming wave (neutron or photon) entangled with the condensate realizes a transitory state, either in the space of static nuclear-coordinates (diffraction), or in that of the symmetry coordinates (spectroscopy and relaxometry). We derive temperature-laws for proton-site occupancies and for the relaxation rate, which compare favorably with measurements.

  11. Neutron time-of-flight measurement techniques: new possibilities of TOF spectroscopy with NEAT at BENSC

    CERN Document Server

    Ruffle, B; Longeville, S; Lechner, R E

    2000-01-01

    A series of experiments performed on the TOF spectrometer NEAT at the Berlin Neutron Scattering Center is reported to demonstrate the versatility and some of the original possibilities offered by this instrument: continuous variation of the energy resolution over four decades, TOF diffraction using single detectors and a large range of incident neutron wavelengths, high-resolution studies in (Q, omega)-space of single crystals with a multidetector at large scattering angle, or elastic and inelastic small-angle scattering with the multidetector at zero angle.

  12. Heterolytic cleavage of hydrogen by an iron hydrogenase model: an Fe-H⋅⋅⋅H-N dihydrogen bond characterized by neutron diffraction.

    Science.gov (United States)

    Liu, Tianbiao; Wang, Xiaoping; Hoffmann, Christina; DuBois, Daniel L; Bullock, R Morris

    2014-05-19

    Hydrogenase enzymes in nature use hydrogen as a fuel, but the heterolytic cleavage of H-H bonds cannot be readily observed in enzymes. Here we show that an iron complex with pendant amines in the diphosphine ligand cleaves hydrogen heterolytically. The product has a strong Fe-H⋅⋅⋅H-N dihydrogen bond. The structure was determined by single-crystal neutron diffraction, and has a remarkably short H⋅⋅⋅H distance of 1.489(10) Å between the protic N-H(δ+) and hydridic Fe-H(δ-) part. The structural data for [Cp(C5F4N)FeH(P(tBu)2N(tBu)2H)](+) provide a glimpse of how the H-H bond is oxidized or generated in hydrogenase enzymes. These results now provide a full picture for the first time, illustrating structures and reactivity of the dihydrogen complex and the product of the heterolytic cleavage of H2 in a functional model of the active site of the [FeFe] hydrogenase enzyme. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Effect of Extrusion Temperature on the Plastic Deformation of an Mg-Y-Zn Alloy Containing LPSO Phase Using In Situ Neutron Diffraction

    Science.gov (United States)

    Garces, G.; Perez, P.; Cabeza, S.; Kabra, S.; Gan, W.; Adeva, P.

    2017-11-01

    The evolution of the internal strains during in situ tension and compression tests has been measured in an MgY2Zn1 alloy containing long-period stacking ordered (LPSO) phase using neutron diffraction. The alloy was extruded at two different temperatures to study the influence of the microstructure and texture of the magnesium and the LPSO phases on the deformation mechanisms. The alloy extruded at 623 K (350 °C) exhibits a strong fiber texture with the basal plane parallel to the extrusion direction due to the presence of areas of coarse non-recrystallised grains. However, at 723 K (450 °C), the magnesium phase is fully recrystallised with grains randomly oriented. On the other hand, at the two extrusion temperatures, the LPSO phase orients their basal plane parallel to the extrusion direction. Yield stress is always slightly higher in compression than in tension. Independently on the stress sign and the extrusion temperature, the beginning of plasticity is controlled by the activation of the basal slip system in the dynamic recrystallized grains. Therefore, the elongated fiber-shaped LPSO phase which behaves as the reinforcement in a metal matrix composite is responsible for this tension-compression asymmetry.

  14. Electronic, spin-state, and magnetic transitions in B a2C o9O14 investigated by x-ray spectroscopies and neutron diffraction

    Science.gov (United States)

    Herrero-Martín, J.; Padilla-Pantoja, J.; Lafuerza, S.; Romaguera, A.; Fauth, F.; Reparaz, J. S.; García-Muñoz, J. L.

    2017-06-01

    The mixed B a2C o9O14C o2 +/C o3 + system undergoes an insulator-insulator transition at TSS˜567 K that arises from a spin-state transition at trivalent cobalt sites. Below this temperature, Co1, Co2, and Co4 are nonmagnetic (S =0 , low spin). Ferromagnetically aligned Co5 spins are sandwiched between antiparallel planes of Co3 spins below TN≈41 K . The successive antiferromagnetic trilayers are inverted along the c axis (compatible with Cc2 /c ,Cc2 /m , or PS-1 magnetic space groups, depending on the moment orientation in the a b plane). The origin of the resistivity drop on warming was investigated by means of neutron and x-ray diffraction, x-ray absorption and emission spectroscopies, and x-ray magnetic circular dichroism. Charge-transfer multiplet calculations confirm that the divalent Co sites are both in an S =3 /2 high spin state. Independently, the analysis of measured Co Kβ x-ray emission spectroscopy spectra agrees with this model. The magnetic moment from divalent Co5 ions is not fully ordered, likely due to the competition between magnetic anisotropy and weak supersuperexchange interactions, but not to covalency effects. Results agree with the spin blockade of electronic transport being partially removed at the octahedral trimers and also at the Co 4 O6 units within the Cd I2 -type layer.

  15. 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.

  16. Magnetic-crystallographic p,T-phase diagram of Fe{sub 1.141}Te: A high-pressure neutron diffraction study

    Energy Technology Data Exchange (ETDEWEB)

    Joergensen, Jens-Erik [Department of Chemistry, Aarhus University (Denmark); Hansen, Thomas Christian [Institute Max von Laue-Paul Langevin, Grenoble (France)

    2016-11-15

    The crystal and magnetic structures of Fe{sub 1.141}Te have been studied by neutron powder diffraction in the temperature range from 5 to 106 K and pressures in the range from ambient to ∼2.7 GPa. The p,T-phase diagram contains three phases with monoclinic, orthorhombic, and tetragonal symmetry. The monoclinic phase was found to be stable for T 2.16 GPa. The monoclinic phase shows commensurate bicollinear antiferromagnetic order with propagation vector k = (1/2 0 1/2), while the orthorhombic phase is incommensurately antiferromagnetically ordered with propagation vector k = (1/2-δ 0 1/2). The δ-parameter increases linearly with the pressure for 0.4 or similar 2.1 GPa and temperatures less than ∝68 K, depending on the pressure. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Neutron diffraction study of the crystal structure of BaMoO{sub 4}: A suitable precursor for metallic BaMoO{sub 3} perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Nassif, V.; Carbonio, R.E. [Univ. Nacional de Cordoba (Argentina). Inst. de Investigaciones en Fisicoquimica; Alonso, J.A. [C.S.I.C., Madrid (Spain). Inst. de Ciencia de Materiales

    1999-08-01

    BaMoO{sub 3}, metallic and Pauli paramagnetic, has been prepared by controlled reduction of BaMoO{sub 4}. This precursor, containing Mo(VI), is unusually stable against reduction, due to structural factors. The crystal structure of BaMoO{sub 4} has been refined from neutron powder diffraction data: space group I4{sub 1}/a (no. 88), Z = 4, a = 5.5479(9), and c = 12.743(2) {angstrom}. A bond-valence study allowed the authors to detect the presence of slight tensile and compressive stresses in the crystal structure of BaMoO{sub 4}, in which Ba is overbonded and Mo is underbonded. However, this effect is less pronounced than in other AMO{sub 4} oxides with a scheelite structure (A = Ca, Sr, Ba; M = Mo, W): BaMoO{sub 4} contains the M cation exhibiting the closest valence to the nominal value of 6+, suggesting a large covalent contribution to the Mo-O bonds. This observation is coherent with the large thermal stability of this compound against reduction, taking place at temperatures above 920 C in H{sub 2} flow.

  18. Neutron diffraction investigation of the H -T phase diagram above the longitudinal incommensurate phase of BaCo2V2O8

    Science.gov (United States)

    Grenier, B.; Simonet, V.; Canals, B.; Lejay, P.; Klanjšek, M.; Horvatić, M.; Berthier, C.

    2015-10-01

    The quasi-one-dimensional antiferromagnetic Ising-like compound BaCo2V2O8 has been shown to be describable by the Tomonaga-Luttinger liquid theory in its gapless phase induced by a magnetic field applied along the Ising axis. Above 3.9 T, this leads to an exotic field-induced low-temperature magnetic order, made of a longitudinal incommensurate spin-density wave, stabilized by weak interchain interactions. By single-crystal neutron diffraction we explore the destabilization of this phase at a higher magnetic field. We evidence a transition at around 8.5 T towards a more conventional magnetic structure with antiferromagnetic components in the plane perpendicular to the magnetic field. The phase diagram boundaries and the nature of this second field-induced phase are discussed with respect to previous results obtained by means of nuclear magnetic resonance and electron spin resonance, and in the framework of the simple model based on the Tomonaga-Luttinger liquid theory, which obviously has to be refined in this complex system.

  19. Neutron-Diffraction Measurements of an Antiferromagnetic Semiconducting Phase in the Vicinity of the High-Temperature Superconducting State of KxFe2-ySe2

    Science.gov (United States)

    Zhao, Jun; Cao, Huibo; Bourret-Courchesne, E.; Lee, D.-H.; Birgeneau, R. J.

    2012-12-01

    The recently discovered K-Fe-Se high-temperature superconductor has caused heated debate regarding the nature of its parent compound. Transport, angle-resolved photoemission spectroscopy, and STM measurements have suggested that its parent compound could be insulating, semiconducting, or even metallic [M. H. Fang, H.-D. Wang, C.-H. Dong, Z.-J. Li, C.-M. Feng, J. Chen, and H. Q. Yuan, Europhys. Lett. 94, 27009 (2011)EULEEJ0295-507510.1209/0295-5075/94/27009; F. Chen , Phys. Rev. X 1, 021020 (2011)PRXHAE2160-330810.1103/PhysRevX.1.021020; and W. Li , Phys. Rev. Lett. 109, 057003 (2012)PRLTAO0031-900710.1103/PhysRevLett.109.057003]. Because the magnetic ground states associated with these different phases have not yet been identified and the relationship between magnetism and superconductivity is not fully understood, the real parent compound of this system remains elusive. Here, we report neutron-diffraction experiments that reveal a semiconducting antiferromagnetic (AFM) phase with rhombus iron vacancy order. The magnetic order of the semiconducting phase is the same as the stripe AFM order of the iron pnictide parent compounds. Moreover, while the 5×5 block AFM phase coexists with superconductivity, the stripe AFM order is suppressed by it. This leads us to conjecture that the new semiconducting magnetic ordered phase is the true parent phase of this superconductor.

  20. Neutron Diffraction Measurement of Residual Stresses, Dislocation Density and Texture in Zr-bonded U-10Mo ''Mini'' Fuel Foils and Plates

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Donald W. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Okuniewski, M. A. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Sisneros, Thomas A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Clausen, Bjorn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Moore, G. A. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Balogh, L [Queen' s Univ., Kingston, ON (Canada)

    2014-08-07

    Aluminum clad monolithic uranium 10 weight percent molybdenum (U-10Mo) fuel plates are being considered for conversion of several research and test nuclear reactors from high-enriched to low-enriched uranium fuel due to the inherently high density of fissile material. Comprehensive neutron diffraction measurements of the evolution of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the HIP procedure significantly reduces the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stresses in the clad fuel plate do not depend strongly on the final processing step of the bare foil prior to HIP bonding. Rather, the residual stresses are dominated by the thermal expansion mismatch of the constituent materials of the fuel plate.

  1. Visualizing oxygen anion transport pathways in NdBaCo2O5+δ by in situ neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cox-Galhotra, Rosemary A. [Univ. of Virginia, Charlottesville, VA (United States). Dept. of Chemical Engineering; Huq, Ashfia [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source; Hodges, Jason P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source; Kim, Jung-Hyun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source; Yu, Chengfei [Univ. of Houston, TX (United States). Dept. of Chemistry; Wang, Xiqu [Univ. of Houston, TX (United States). Dept. of Chemistry; Jacobson, Allan J. [Univ. of Houston, TX (United States). Dept. of Chemistry; McIntosh, Steven [Univ. of Virginia, Charlottesville, VA (United States). Dept. of Chemical Engineering; Lehigh Univ., Bethlehem, PA (United States). Dept. of Chemical Engineering

    2013-01-14

    We characterized the layered perovskite NdBaCo2O5+δ (NBCO) using neutron powder diffraction under in situ conditions from 577–852 °C and in 10-1 to 10-4 atm oxygen. The best fit to the data was obtained in the tetragonal (P4/mmm) space group. No oxygen atom vacancy ordering was observed that warranted a lowering of the symmetry to orthorhombic (Pmmm). Two P4/mmm structural models were investigated: Model 1 (no split sites) and Model 2 (split Nd and O2 sites). Furthermore, transport of oxygen through the material via the vacancy hopping mechanism will likely involve the nearest-neighbor oxygen atom sites in the Nd layer. Total oxygen stoichiometry values were in the range 5.51 ≤ δ ≤ 5.11. The tetragonal lattice parameters increased with temperature as expected. But, the a-axis expands while the c-axis contracts with decreasing pO2 at a given temperature due to increasing vacancy concentration in the Nd layer.

  2. Polarised neutron diffraction measurements of PrBa sub 2 Cu sub 3 O sub 6 sub + X and Bayesian statistical analysis of such data

    CERN Document Server

    Markvardsen, A J

    2000-01-01

    sub 2 Cu sub 3 O sub 6 sub + sub x and leaving room for more questions to be answered. The physics of the series Pr sub y Y sub 1 sub - sub y Ba sub 2 CU sub 3 O sub 6 sub + sub x , and ability of Pr to suppress superconductivity, has been a subject of frequent discussions in the literature for more than a decade. This thesis describes a polarised neutron diffraction (PND) experiment performed on PrBa sub 2 Cu sub 3 O sub 6 sub . sub 2 sub 4 designed to find out something about the electron structure. This experiment pushed the limits of what can be done using the PND technique. The problem is one of a limited number of measured Fourier components that need to be inverted to form a real space image. To accomplish this inversion the maximum entropy technique has been employed. In some cases, the maximum entropy technique has the ability to increase the resolution of 'inverted' data immensely, but this ability is found to depend critically on the choice of constants used in the method. To investigate this a Bay...

  3. 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...

  4. 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).

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. Neutron scattering. Experiment manuals

    Energy Technology Data Exchange (ETDEWEB)

    Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

    2010-07-01

    The following topics are dealt with: The thermal triple axis spectrometer PUMA, the high-resolution powder diffractometer SPODI, the hot single-crystal diffractometer HEiDi for structure analysis with neutrons, the backscattering spectrometer SPHERES, neutron polarization analysis with tht time-of-flight spectrometer DNS, the neutron spin-echo spectrometer J-NSE, small-angle neutron scattering with the KWS-1 and KWS-2 diffractometers, the very-small-angle neutron scattering diffractrometer with focusing mirror KWS-3, the resonance spin-echo spectrometer RESEDA, the reflectometer TREFF, the time-of-flight spectrometer TOFTOF. (HSI)

  14. Magnetised foils as white beam π/2 flippers for polarised neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Rekveldt, M.T.

    2015-08-11

    Magnetic foils as white beam π/2 flippers for polarised neutrons will be discussed. Their main advantage is the application for Larmor precession in strongly inclined precession regions as used in Larmor diffraction and especial in Spin Echo Small Angle Neutron Scattering (SESANS). Inclination angles of a few degrees in fields from mT up to hundreds of mT are achievable that are not possible with present conventional coils. The application in Larmor diffraction will be discussed and the application in SESANS will be explained in detail and supported by a simulated experiment. - Highlights: • A magnetised permalloy film is proposed as white beam π/2 flipper. • Flipper operates at small inclination angles, high fields (1T) in white neutron beam. • Flipper enables high resolution SESANS in white beam also in magnetic samples.

  15. Oxygen stoichiometry and chemical expansion of Ba0.5Sr0.5Co0.8Fe0.2O3-d measured by in-situ neutron diffraction

    NARCIS (Netherlands)

    McIntosh, S.; McIntosh, Steven; Vente, Jaap F.; Haije, Wim G.; Blank, David H.A.; Bouwmeester, Henricus J.M.

    2006-01-01

    The structure, oxygen stoichiometry, and chemical and thermal expansion of Ba0.5Sr0.5Co0.8Fe0.2O3-ä (BSCF) between 873 and 1173 K and oxygen partial pressures of 1 10-3 to 1 atm were determined by in situ neutron diffraction. BSCF has a cubic perovskite structure, space group Pm3hm, across the whole

  16. 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

  17. Neutron diffraction and neutron depolarization study

    Indian Academy of Sciences (India)

    S Rößler, U K Rößler, K Nenkov, D Eckert, S M Yusuf, K Dörr and K-H Müller,. Phys. Rev. B70, 104417 (2004). D K Aswal, A Singh, C Thinaharan, S M Yusuf, C S Viswanatham, G L Goswami, L. C Gupta, S K Gupta, J V Yakhmi and V C Sahni, Philos. Magn. B83, 3181 (2003). Pramana – J. Phys., Vol. 71, No. 4, October 2008.

  18. 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.

  19. 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.

  20. 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.

  1. A neutron diffraction study of crystal and low-temperature magnetic structures within the (Na,Li)FeGe2O6 pyroxene-type solid solution series

    Science.gov (United States)

    Redhammer, Günther J.; Senyshyn, Anatoliy; Lebernegg, Stefan; Tippelt, Gerold; Dachs, Edgar; Roth, Georg

    2017-10-01

    Solid solution compounds along the Li1- x Na x FeGe2O6 clinopyroxene series have been prepared by solid state ceramic sintering and investigated by bulk magnetic and calorimetric methods; the Na-rich samples with x(Na) > 0.7 were also investigated by low-temperature neutron diffraction experiments in a temperature range of 4-20 K. For samples with x(Na) > 0.76 the crystal structure adopts the C2/ c symmetry at all measuring temperatures, while the samples display P21/ c symmetry for smaller Na contents. Magnetic ordering is observed for all samples below 20 K with a slight decrease of T N with increasing Na content. The magnetic spin structures change distinctly as a function of chemical composition: up to x(Na) = 0.72 the magnetic structure can be described by a commensurate arrangement of magnetic spins with propagation vector k = (½, 0 0), an antiferromagnetic (AFM) coupling within the Fe3+O6 octahedra zig-zag chains and an alternating AFM and ferromagnetic (FM) interaction between the chains, depending on the nature of the tetrahedral GeO4 chains. The magnetic structure can be described in magnetic space group P a21/ c. Close to the structural phase transition for sample with x(Na) = 0.75, magnetic ordering is observed below 15 K; however, it becomes incommensurately modulated with k = (0.344, 0, 0.063). At 4 K, the magnetic spin structure best can be described by a cycloidal arrangement within the M1 chains, the spins are within the a- c plane. Around 12 K the cycloidal structure transforms to a spin density wave (SDW) structure. For the C2/ c structures, a coexistence of a simple collinear and an incommensurately modulated structure is observed down to lowest temperatures. For 0.78 ≤ x(Na) ≤ 0.82, a collinear magnetic structure with k = (0 1 0), space group P C21/ c and an AFM spin structure within the M1 chains and an FM one between the spins is dominating, while the incommensurately modulated structure becomes dominating the collinear one in the

  2. On the Sr1−xBaxFeO2F Oxyfluoride Perovskites: Structure and Magnetism from Neutron Diffraction and Mössbauer Spectroscopy

    Directory of Open Access Journals (Sweden)

    Crisanto A. García-Ramos

    2016-11-01

    Full Text Available Four oxyfluorides of the title series (x = 0.00, 0.25, 0.50, 0.75 have been stabilized by topotactic treatment of perovskite precursors Sr1−xBaxFeO3−δ prepared by soft-chemistry procedures, yielding reactive materials that can easily incorporate a substantial amount of F atoms at moderate temperatures, thus avoiding the stabilization of competitive SrF2 and BaF2 parasitic phases. XRD and Neutron Powder Diffraction (NPD measurements assess the phase purity and yield distinct features concerning the unit cell parameters’ variation, the Sr and Ba distribution, the stoichiometry of the anionic sublattice and the anisotropic displacement factors for O and F atoms. The four oxyfluorides are confirmed to be cubic in all of the compositional range, the unit cell parameters displaying Vergard’s law. All of the samples are magnetically ordered above room temperature; the magnetic structure is always G-type antiferromagnetic, as shown from NPD data. The ordered magnetic moments are substantially high, around 3.5 μB, even at room temperature (RT. Temperature-dependent Mössbauer data allow identifying Fe3+ in all of the samples, thus confirming the Sr1−xBaxFeO2F stoichiometry. The fit of the magnetic hyperfine field vs. temperature curve yields magnetic ordering TN temperatures between 740 K (x = 0.00 and 683 K (x = 0.75. These temperatures are substantially higher than those reported before for some of the samples, assessing for stronger Fe-Fe superexchange interactions for these specimens prepared by fluorination of citrate precursors in mild conditions.

  3. Crystal Structural Determination of SrAlD5 with Corner-Sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction

    Directory of Open Access Journals (Sweden)

    Toyoto Sato

    2018-02-01

    Full Text Available Aluminium-based complex hydrides (alanates composed of metal cation(s and complex anion(s, [AlH4]− or [AlH6]3− with covalent Al–H bonds, have attracted tremendous attention as hydrogen storage materials since the discovery of the reversible hydrogen desorption and absorption reactions on Ti-enhanced NaAlH4. In cases wherein alkaline-earth metals (M are used as a metal cation, MAlH5 with corner-sharing AlH6 octahedron chains are known to form. The crystal structure of SrAlH5 has remained unsolved although two different results have been theoretically and experimentally proposed. Focusing on the corner-sharing AlH6 octahedron chains as a unique feature of the alkaline-earth metal, we here report the crystal structure of SrAlD5 investigated by synchrotron radiation powder X-ray and neutron diffraction. SrAlD5 was elucidated to adopt an orthorhombic unit cell with a = 4.6226(10 Å, b = 12.6213(30 Å and c = 5.0321(10 Å in the space group Pbcm (No. 57 and Z = 4. The Al–D distances (1.77–1.81 Å in the corner-sharing AlD6 octahedra matched with those in the isolated [AlD6]3− although the D–Al–D angles in the penta-alanates are significantly more distorted than the isolated [AlD6]3−.

  4. Silicon supported lipid-DNA thin film structures at varying temperature studied by energy dispersive X-ray diffraction and neutron reflectivity.

    Science.gov (United States)

    Domenici, F; Castellano, C; Dell'Unto, F; Albinati, A; Congiu, A

    2011-11-01

    Non-viral gene transfection by means of lipid-based nanosystems, such as solid supported lipid assemblies, is often limited due to their lack of stability and the consequent loss of efficiency. Therefore not only a detailed thermo-lyotropic study of these DNA-lipid complexes is necessary to understand their interaction mechanisms, but it can also be considered as a first step in conceiving and developing new transfection biosystems. The aim of our study is a structural characterization of 1,2-dioleoyl-sn-glycero-3-phosphatidylcholine (DOPC)-dimethyl-dioctadecyl-ammonium bromide (DDAB)-DNA complex at varying temperature using the energy dispersive X-ray diffraction (EDXD) and neutron reflectivity (NR) techniques. We have shown the formation of a novel thermo-lyotropic structure of DOPC/DDAB thin film self-organized in multi-lamellar planes on (100)-oriented silicon support by spin coating, thus enlightening its ability to include DNA strands. Our NR measurements indicate that the DOPC/DDAB/DNA complex forms temperature-dependent structures. At 65°C and relative humidity of 100% DNA fragments are buried between single lamellar leaflets constituting the hydrocarbon core of the lipid bilayers. This finding supports the consistency of the hydrophobic interaction model, which implies that the coupling between lipid tails and hypo-hydrated DNA single strands could be the driving force of DNA-lipid complexation. Upon cooling to 25°C, EDXD analysis points out that full-hydrated DOPC-DDAB-DNA can switch in a different metastable complex supposed to be driven by lipid heads-DNA electrostatic interaction. Thermotropic response analysis also clarifies that DOPC has a pivotal role in promoting the formation of our observed thermophylic silicon supported lipids-DNA assembly. Copyright © 2011 Elsevier B.V. All rights reserved.

  5. High resolution spectroscopy of Red Giant Branch stars and the chemical evolution of the Fornax dwarf spheroidal galaxy

    NARCIS (Netherlands)

    Lemasle, B.; de Boer, T. J. L.; Hill, V.; Tolstoy, E.; Irwin, M. J.; Jablonka, P.; Venn, K.; Battaglia, G.; Starkenburg, E.; Shetrone, M.; Letarte, B.; Francois, P.; Helmi, A.; Primas, F.; Kaufer, A.; Szeifert, T.; Ballet, J.; Martins, F.; Bournaud, F.; Monier, R.; Reylé, C.

    2014-01-01

    From VLT-FLAMES high-resolution spectra, we determine the abundances of several α, iron-peak and neutron-capture elements in 47 Red Giant Branch stars in the Fornax dwarf spheroidal galaxy. We confirm that SNe Ia started to contribute to the chemical enrichment of Fornax at [Fe/H] between --2.0 and

  6. High resolution spectroscopy of Red Giant Branch stars and the chemical evolution of the Fornax dwarf spheroidal galaxy

    NARCIS (Netherlands)

    Lemasle, B.; de Boer, T.J.L.; Hill, V.; Tolstoy, E.; Irwin, M.J.; Jablonka, P.; Venn, K.; Battaglia, G.; Starkenburg, E.; Shetrone, M.; Letarte, B.; Francois, P.; Helmi, A.; Primas, F.; Kaufer, A.; Szeifert, T.; Ballet, J.; Bournaud, F.; Martins, F.; Monier, R.; Reyle, C.

    2014-01-01

    From VLT-FLAMES high-resolution spectra, we determine the abundances of several α, iron-peak and neutron-capture elements in 47 Red Giant Branch stars in the Fornax dwarf speroidal galaxy. We confirm that SNe Ia started to contribute to the chemical enrichment of Fornax at [Fe/H] between -2.0 and -

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. The crystal structure, electrostatic properties, and thermal vibrations of some hydrated spermine compounds using neutron and x-ray diffraction data

    Science.gov (United States)

    Cohen, Aina Elizabeth

    Spermine phosphate hexahydrate crystallizes in space group P21/a with unit cell dimensions a = 7.931(1) A, b = 23.158(5) A, c = 6.856(2) A, and b = 113.44(2)° at 125 K with unit cell contents ([C10H 30N4]2+4 4[HPO4] -2·12H2O). The packing of spermines and monohydrogen phosphates in this crystal structure has features which may be relevant to the binding of spermine to DNA. Another important structural feature is the presence of channels containing water that is H-bonded as in ice-Ih with disordered protons. The channels occur between sheets of spermine long chains and are also bordered by H-bonded monohydrogen phosphate chains. Using neutron diffraction data, the H-bonding scheme of these water chains proposed on the basis of an earlier X-ray study is now confirmed. Nuclear positions, anisotropic m.s. displacements, an overall scale factor, and two extinction parameters ( r and g) were refined using full-matrix least-squares giving values of R(Fo2) = 0.09, Rw(Fo 2) = 0.11 and S = 1.02. Thermal vibrational analysis revealed that the backbone of the spermine cation can be described as a single rigid segment with a substantial libration of 27 deg2 around the spermine molecular long axis. The charge density distribution in the crystal structure of spermine phosphate hexahydrate ([C10H30N4] +4 2[HPO4]-2·6H2O) has been determined from X-ray diffraction data MoKa at 125 K using 13,984 reflections with sin/l≤1. 51 A-1. Least-squares structure refinement assuming Stewart's rigid pseudoatom model (variables included electron populations for multipole terms extending to octapoles for C, N, O, and P and up to dipoles for H) gave R(F2) = 0.042, Rw(F2) = 0.071 and S = 1.06. The electron density and its Laplacian have been determined at the (3, -1) or bond-critical points. The crystal structure of spermine dihydrate (C10H26N 4·2H2O), or possibly sperminium dihydroxide, has been determined for the non-hydrogen atoms. Spermine dihydrate crystallizes in space group P1¯ with

  13. Determination of the cell parameters of {beta}-quartz at 1003 K by neutron multiple diffraction; Parametros de rede do quartzo-{beta} a 1003 K determinados por difracao multipla de neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Campos, Luiz Carlos de

    2002-07-01

    In this work, neutron multiple diffraction (NMD) data was employed for the determination of the parameters a and c of the {beta}-quartz hexagonal cell at 1003 K. An experimental 00.1 {beta}-quartz NMD 'Umweg' pattern has been used for the determinations. During the indexing of the {beta}-quartz pattern it was verified that most of the peaks could be classified as either 'good for the determination of the parameter a' or 'good for the determination of the parameter c'. With such a classification, it became possible to employ an iterative process for the determination of both parameters. To attain this purpose, two methods were developed. The first one, named 'absolute method', used angular azimuthal positions of the peaks, related to the origin of the experimental diagram. The second method, named 'relative method', used azimuthal angular differences between two selected peaks. The values obtained for both parameters, in the two methods employed, were found by applying the angular azimuthal positions, for the first method, and the azimuthal angular differences, for the second method, upon appropriate theoretical indexing diagrams. An iterative process was applied in order to obtain the values of the parameters. In this process, the value obtained for one of the parameters was used in the determination of the other parameter. The process continues until both parameters converge. The iterative process was used in both methods. The relative method proved to be better than the absolute method. The best values of the parameters obtained by the relative method were: a 4.99638 {+-} 0.00057 angstrom and c = 5.46119 {+-} 0.00044 angstrom. (author)

  14. 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.

  15. 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

  16. 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

  17. Properties of planetary ices in the NH3 + CO2 ± H2O ternary system using neutron diffraction and ab initio calculations

    Science.gov (United States)

    Howard, C. M.; Wood, I. G.; Fortes, A. D.; Vocadlo, L.

    2016-12-01

    BackgroundInteractions between simple molecules are of fundamental interest across diverse areas of the physical sciences, and the ternary system NH3 + CO2 ± H2O is no exception. In the outer solar system, interaction of CO2 with aqueous ammonia is likely to occur, synthesizing `rock-forming' minerals [1], with CO2 perhaps playing a role in ammonia-water oceans and cryomagmas inside icy planetary bodies - the discovery of ammonium carbonates in a crater of Pluto's moon Charon [2] adds weight to CO2 occuring in these planetary environments. In the same context, ammonium carbonates may have some astrobiological relevance, since removal of water leads to the formation of urea. On Earth, combination of CO2 with aqueous ammonia has relevance to carbon capture schemes [3], and there is interest in using such materials for hydrogen storage in fuel cells [4]. Consequently, from earthly matters of climate change to the study of extraterrestrial ices, understanding the structures and properties of ammonium carbonates are important. Despite this, our knowledge of ammonium carbonates is limited under ambient conditions of pressure and temperature and is entirely absent at the higher pressures, severely limiting our ability to model the behaviour of NH3 + CO2 ± H2O solids and fluids in planetary environments. ResultsWe report the results of several experiments using variable pressure and temperature neutron diffraction work on ammonium carbonate monohydrate, ammonium bicarbonate and ammonium carbamate, with complementary Density Functional Theory (DFT) calculations. The excellent agreement between experiments and DFT calculations obtained so far adds weight to the accuracy of calculated material properties of ammonium sesquicarbonate monohydrate and several polymorphs of urea where little empirical data exists. These experimental and computational studies provide the structural, thermoelastic and vibrational information required for accurate planetary modelling and remote

  18. Convergent beam neutron crystallography

    Science.gov (United States)

    Gibson, Walter M.; Schultz, Arthur J.; Richardson, James W.; Carpenter, John M.; Mildner, David F. R.; Chen-Mayer, Heather H.; Miller, M. E.; Maxey, E.; Prask, Henry J.; Gnaeupel-Herold, Thomas H.; Youngman, Russell

    2004-01-01

    Applications of neutron diffraction for small samples (small fiducial areas are limited by the available neutron flux density. Recent demonstrations of convergent beam electron and x-ray diffraction and focusing of cold (λ>1 Å) neutrons suggest the possibility to use convergent beam neutron diffraction for small sample crystallography. We have carried out a systematic study of diffraction of both monoenergetic and broad bandwidth neutrons at the NIST Research Reactor and at the Intense Pulsed Neutron Source (IPNS) at Argonne National Laboratory. Combining convergent beams with time-of-flight Laue diffraction is particularly attractive for high efficiency small sample diffraction studies. We have studied single crystal and powder diffraction of neutrons with convergence angles as large as 15° and have observed diffracted peak intensity gains greater than 20. The convergent beam method (CBM) shows promise for crystallography on small samples of small to medium size molecules (potentially even for proteins), ultra-high pressure samples, and for mapping of strain and texture distributions in larger samples.

  19. 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.

  20. Cubic-tetragonal phase transition in Ca sub 0 sub . sub 0 sub 4 Sr sub 0 sub . sub 9 sub 6 TiO sub 3 a combined specific heat and neutron diffraction study

    CERN Document Server

    Gallardo, M C; Romero, F J; Cerro, J D; Seifert, F; Redfern, S A T

    2003-01-01

    The specific heat corresponding to the tetragonal-to-cubic transition in Ca sub 0 sub . sub 0 sub 4 Sr sub 0 sub . sub 9 sub 6 TiO sub 3 perovskite has been measured by conduction calorimetry. The order parameter of the transition has been obtained by means of neutron diffraction at low temperatures. Comparison of calorimetric data with the evolution of the order parameter indicates that this transition seems to follow a mean field Landau potential as in SrTiO sub 3. The linear behaviour of the excess of entropy versus temperature suggests that a 2-4 Landau potential is sufficient to describe the transition.