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Sample records for backscatter diffraction analysis

  1. Bragg's Law diffraction simulations for electron backscatter diffraction analysis

    International Nuclear Information System (INIS)

    Kacher, Josh; Landon, Colin; Adams, Brent L.; Fullwood, David

    2009-01-01

    In 2006, Angus Wilkinson introduced a cross-correlation-based electron backscatter diffraction (EBSD) texture analysis system capable of measuring lattice rotations and elastic strains to high resolution. A variation of the cross-correlation method is introduced using Bragg's Law-based simulated EBSD patterns as strain free reference patterns that facilitates the use of the cross-correlation method with polycrystalline materials. The lattice state is found by comparing simulated patterns to collected patterns at a number of regions on the pattern using the cross-correlation function and calculating the deformation from the measured shifts of each region. A new pattern can be simulated at the deformed state, and the process can be iterated a number of times to converge on the absolute lattice state. By analyzing an iteratively rotated single crystal silicon sample and recovering the rotation, this method is shown to have an angular resolution of ∼0.04 o and an elastic strain resolution of ∼7e-4. As an example of applications, elastic strain and curvature measurements are used to estimate the dislocation density in a single grain of a compressed polycrystalline Mg-based AZ91 alloy.

  2. Comparative study of macrotexture analysis using X-ray diffraction and electron backscattered diffraction techniques

    International Nuclear Information System (INIS)

    Serna, Marilene Morelli

    2002-01-01

    The macrotexture is one of the main characteristics in metallic materials, which the physical properties depend on the crystallographic direction. The analysis of the macrotexture to middles of the decade of 80 was just accomplished by the techniques of Xray diffraction and neutrons diffraction. The possibility of the analysis of the macrotexture using, the technique of electron backscattering diffraction in the scanning electronic microscope, that allowed to correlate the measure of the orientation with its location in the micro structure, was a very welcome tool in the area of engineering of materials. In this work it was studied the theoretical aspects of the two techniques and it was used of both techniques for the analysis of the macrotexture of aluminum sheets 1050 and 3003 with intensity, measured through the texture index 'J', from 2.00 to 5.00. The results obtained by the two techniques were shown reasonably similar, being considered that the statistics of the data obtained by the technique of electron backscatter diffraction is much inferior to the obtained by the X-ray diffraction. (author)

  3. Bragg's Law diffraction simulations for electron backscatter diffraction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kacher, Josh, E-mail: jkacherbyu@gmail.com [Department of Mechanical Engineering, Brigham Young University, 455B Crabtree Technology Building, Provo, UT 84602 (United States); Landon, Colin; Adams, Brent L.; Fullwood, David [Department of Mechanical Engineering, Brigham Young University, 455B Crabtree Technology Building, Provo, UT 84602 (United States)

    2009-08-15

    In 2006, Angus Wilkinson introduced a cross-correlation-based electron backscatter diffraction (EBSD) texture analysis system capable of measuring lattice rotations and elastic strains to high resolution. A variation of the cross-correlation method is introduced using Bragg's Law-based simulated EBSD patterns as strain free reference patterns that facilitates the use of the cross-correlation method with polycrystalline materials. The lattice state is found by comparing simulated patterns to collected patterns at a number of regions on the pattern using the cross-correlation function and calculating the deformation from the measured shifts of each region. A new pattern can be simulated at the deformed state, and the process can be iterated a number of times to converge on the absolute lattice state. By analyzing an iteratively rotated single crystal silicon sample and recovering the rotation, this method is shown to have an angular resolution of {approx}0.04{sup o} and an elastic strain resolution of {approx}7e-4. As an example of applications, elastic strain and curvature measurements are used to estimate the dislocation density in a single grain of a compressed polycrystalline Mg-based AZ91 alloy.

  4. Accurate measurement of the orientation relationship of lath martensite and bainite by electron backscatter diffraction analysis

    International Nuclear Information System (INIS)

    Miyamoto, G.; Takayama, N.; Furuhara, T.

    2009-01-01

    A new method to determine the orientation relationship between martensite and bainite with the parent austenite is developed based on electron backscatter diffraction analysis. This method can determine the orientation relationship accurately without the presence of retained austenite, and is applicable to lath martensite and bainite in low-alloyed carbon steels. The angles between close-packed directions are about 3 o for lath martensite regardless of the carbon content, while the angles between close-packed planes become smaller with increasing carbon content.

  5. Time-lapse misorientation maps for the analysis of electron backscatter diffraction data from evolving microstructures

    NARCIS (Netherlands)

    Wheeler, J.; Cross, A.; Drury, M.; Hough, R.M.; Mariani, E.; Piazolo, S.; Prior, D.J.

    2011-01-01

    A “time-lapse misorientation map” is defined here as a map which shows the orientation change at each point in an evolving crystalline microstructure between two different times. Electron backscatter diffraction data from in situ heating experiments can be used to produce such maps, which then

  6. Time-lapse misorientation maps for the analysis of electron backscatter diffraction data from evolving microstructures

    International Nuclear Information System (INIS)

    Wheeler, J.; Cross, A.; Drury, M.; Hough, R.M.; Mariani, E.; Piazolo, S.; Prior, D.J.

    2011-01-01

    A 'time-lapse misorientation map' is defined here as a map which shows the orientation change at each point in an evolving crystalline microstructure between two different times. Electron backscatter diffraction data from in situ heating experiments can be used to produce such maps, which then highlight areas of microstructural change and also yield statistics indicative of how far different types of boundary (with different misorientations) have moved.

  7. Analysis of soft magnetic materials by electron backscatter diffraction as a powerful tool

    Directory of Open Access Journals (Sweden)

    David Schuller

    2018-04-01

    Full Text Available The current work demonstrates that electron backscatter diffraction (EBSD is a powerful and versatile characterization technique for investigating soft magnetic materials. The properties of soft magnets, e.g., magnetic losses strongly depend on the materials chemical composition and microstructure, including grain size and shape, texture, degree of plastic deformation and elastic strain. In electrical sheet stacks for e-motor applications, the quality of the machined edges/surfaces of each individual sheet is of special interest. Using EBSD, the influence of the punching process on the microstructure at the cutting edge is quantitatively assessed by evaluating the crystallographic misorientation distribution of the deformed grains. Using an industrial punching process, the maximum affected deformation depth is determined to be 200 - 300 μm. In the case of laser cutting, the affected deformation depth is determined to be approximately zero. Reliability and detection limits of the developed EBSD approach are evaluated on non-affected sample regions and model samples containing different indentation test bodies. A second application case is the investigation of the recrystallization process during the annealing step of soft magnetic composites (SMC toroids produced by powder metallurgy as a function of compaction pressure, annealing parameters and powder particle size. With increasing pressure and temperature, the recrystallized area fraction (e.g., grains with crystallographic misorientations 3°.

  8. Determination of dislocation density by electron backscatter diffraction and X-ray line profile analysis in ferrous lath martensite

    International Nuclear Information System (INIS)

    Berecz, Tibor; Jenei, Péter; Csóré, András; Lábár, János; Gubicza, Jenő

    2016-01-01

    The microstructure and the dislocation density in as-quenched ferrous lath martensite were studied by different methods. The blocks, packets and variants formed due to martensitic transformation were identified and their sizes were determined by electron backscatter diffraction (EBSD). Concomitant transmission electron microscopy (TEM) investigation revealed that the laths contain subgrains with the size between 50 and 100 nm. A novel evaluation procedure of EBSD images was elaborated for the determination of the density and the space distribution of geometrically necessary dislocations from the misorientation distribution. The total dislocation density obtained by X-ray diffraction line profile analysis was in good agreement with the value determined by EBSD, indicating that the majority of dislocations formed due to martensitic transformation during quenching are geometrically necessary dislocations.

  9. Analysis of soft magnetic materials by electron backscatter diffraction as a powerful tool

    Science.gov (United States)

    Schuller, David; Hohs, Dominic; Loeffler, Ralf; Bernthaler, Timo; Goll, Dagmar; Schneider, Gerhard

    2018-04-01

    The current work demonstrates that electron backscatter diffraction (EBSD) is a powerful and versatile characterization technique for investigating soft magnetic materials. The properties of soft magnets, e.g., magnetic losses strongly depend on the materials chemical composition and microstructure, including grain size and shape, texture, degree of plastic deformation and elastic strain. In electrical sheet stacks for e-motor applications, the quality of the machined edges/surfaces of each individual sheet is of special interest. Using EBSD, the influence of the punching process on the microstructure at the cutting edge is quantitatively assessed by evaluating the crystallographic misorientation distribution of the deformed grains. Using an industrial punching process, the maximum affected deformation depth is determined to be 200 - 300 μm. In the case of laser cutting, the affected deformation depth is determined to be approximately zero. Reliability and detection limits of the developed EBSD approach are evaluated on non-affected sample regions and model samples containing different indentation test bodies. A second application case is the investigation of the recrystallization process during the annealing step of soft magnetic composites (SMC) toroids produced by powder metallurgy as a function of compaction pressure, annealing parameters and powder particle size. With increasing pressure and temperature, the recrystallized area fraction (e.g., grains with crystallographic misorientations particle boundaries or areas with existing plastic deformation. The progress of recrystallization is visualized as a function of time and of different particle to grain size distributions. Here, large particles with coarse internal grain structures show a favorable recrystallization behavior which results in large bulk permeability of up to 600 - 700 and lower amount of residual misorientations (>3°).

  10. High resolution electron back-scatter diffraction analysis of thermally and mechanically induced strains near carbide inclusions in a superalloy

    Energy Technology Data Exchange (ETDEWEB)

    Karamched, Phani S., E-mail: phani.karamched@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Wilkinson, Angus J. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)

    2011-01-15

    Cross-correlation-based analysis of electron back-scatter diffraction (EBSD) patterns has been used to obtain high angular resolution maps of lattice rotations and elastic strains near carbides in a directionally solidified superalloy MAR-M-002. Lattice curvatures were determined from the EBSD measurements and used to estimate the distribution of geometrically necessary dislocations (GNDs) induced by the deformation. Significant strains were induced by thermal treatment due to the lower thermal expansion coefficient of the carbide inclusions compared to that of the matrix. In addition to elastic strains the mismatch was sufficient to have induced localized plastic deformation in the matrix leading to a GND density of 3 x 10{sup 13} m{sup -2} in regions around the carbide. Three-point bending was then used to impose strain levels within the range {+-}12% across the height of the bend bar. EBSD lattice curvature measurements were then made at both carbide-containing and carbide-free regions at different heights across the bar. The average GND density increases with the magnitude of the imposed strain (both in tension and compression), and is markedly higher near the carbides particles. The higher GND densities near the carbides (order of 10{sup 14} m{sup -2}) are generated by the large strain gradients produced around the plastically rigid inclusion during mechanical deformation with some minor contribution from the pre-existing residual deformation caused by the thermal mismatch between carbide and nickel matrix.

  11. Quantitative analysis of localized stresses in irradiated stainless steels using high resolution electron backscatter diffraction and molecular dynamics modeling

    International Nuclear Information System (INIS)

    Johnson, D.C.; Kuhr, B.; Farkas, D.; Was, G.S.

    2016-01-01

    Quantitative measurements of stress near dislocation channel–grain boundary (DC–GB) interaction sites were made using high resolution electron backscatter diffraction (HREBSD) and have been compared with molecular dynamics (MD) simulations. Tensile stress normal to the grain boundary was significantly elevated at discontinuous DC–GB intersections with peak magnitudes roughly an order of magnitude greater than at sites where slip transfer occurred. These results constitute the first measurement of stress amplification at DC–GB intersections and provide support to the theory that high normal stress at the grain boundary may be a key driver for the initiation of irradiation assisted stress corrosion cracks.

  12. Analysis of recrystallization behavior of hot-deformed austenite reconstructed from electron backscattering diffraction orientation maps of lath martensite

    International Nuclear Information System (INIS)

    Kubota, Manabu; Ushioda, Kohsaku; Miyamoto, Goro; Furuhara, Tadashi

    2016-01-01

    The recrystallization behavior of hot-deformed austenite of a 0.55% C steel at 800 °C was investigated by a method of reconstructing the parent austenite orientation map from an electron backscattering diffraction orientation map of lath martensite. Recrystallized austenite grains were clearly distinguished from un-recrystallized austenite grains. Very good correlation was confirmed between the static recrystallization behavior investigated mechanically by double-hit compression tests and the change in austenite microstructure evaluated by the reconstruction method. The recrystallization behavior of hot-deformed 0.55% C steel at 800 °C is directly revealed and it was observed that by addition of 0.1% V the recrystallization was significantly retarded.

  13. Lattice constant measurement from electron backscatter diffraction patterns

    DEFF Research Database (Denmark)

    Saowadee, Nath; Agersted, Karsten; Bowen, Jacob R.

    2017-01-01

    Kikuchi bands in election backscattered diffraction patterns (EBSP) contain information about lattice constants of crystallographic samples that can be extracted via the Bragg equation. An advantage of lattice constant measurement from EBSPs over diffraction (XRD) is the ability to perform local ...

  14. Identification of intermetallic phases in a eutectic Al-Si casting alloy using electron backscatter diffraction pattern analysis

    International Nuclear Information System (INIS)

    Kral, M.V.; McIntyre, H.R.; Smillie, M.J.

    2004-01-01

    Intermetallic phases in sand cast eutectic Al-Si alloys were characterized using a combination of SEM, EDS and EBSD pattern analysis. Chinese script α-phase particles were consistent with cubic Al 19 (Fe,Mn) 5 Si 2 . Plate-shaped β-phase particles were consistent with tetragonal Al 3 (Fe,Mn)Si 2

  15. Electron Backscatter Diffraction (EBSD) Analysis and U-Pb Geochronology of the Oldest Lunar Zircon: Constraining Early Lunar Differentiation and Dating Impact-Related Deformation

    Science.gov (United States)

    Timms, Nick; Nemchin, Alexander; Grange, Marion; Reddy, Steve; Pidgeon, Bob; Geisler, Thorsten; Meyer, Chuck

    2009-01-01

    The evolution of the early moon was dominated by two processes (i) crystallization of the Lunar Magma Ocean (LMO) and differentiation of potassium-rare earth element-phosphorous-rich residual magma reservoir referred to as KREEP, and (ii) an intense meteorite bombardment referred to as lunar cataclysm . The exact timing of these processes is disputed, and resolution relies on collection and interpretation of precise age data. This study examines the microstructure and geochronology of zircon from lunar impact breccias collected during the Apollo 17 mission. A large zircon clast within lunar breccia 72215,195 shows sector zoning in optical microscopy, cathodoluminescence (CL) imaging and Raman mapping, and indicates that it was a relict fragment of a much larger magmatic grain. Sensitive high resolution ion microprobe (SHRIMP) U-Pb analysis of the zircon shows that U and Th concentration correlate with sector zoning, with darkest CL domains corresponding with high-U and Th (approx.150 and approx.100 ppm respectively), and the brightest-CL sectors containing approx.30-50 ppm U and approx.10-20 ppm Th. This indicates that variations in optical CL and Raman properties correspond to differential accumulation of alpha-radiation damage in each sector. Electron backscatter diffraction (EBSD) mapping shows that the quality of electron backscatter patterns (band contrast) varies with sector zoning, with the poorest quality patterns obtained from high-U and Th, dark-CL zones. EBSD mapping also reveals a deformation microstructure that is cryptic in optical, CL and Raman imaging. Two orthogonal sets of straight discrete and gradational low-angle boundaries accommodate approx.12 misorientation across the grain. The deformation bands are parallel to the crystallographic {a}-planes of the zircon, have misorientation axes parallel to the c-axis, and are geometrically consistent with formation by dislocation creep associated with {010} slip. The deformation bands are unlike curved

  16. Standards for backscattering analysis

    International Nuclear Information System (INIS)

    Mitchell, I.V.; Eschbach, H.L.

    1978-01-01

    The need for backscattering standards appears to be twofold and depends on the uses and requirements of the users. The first is as a calibrated reference by which samples of a similar nature to the standard may be absolutely compared. The second is as a means of intercomparing the relative results obtained by different laboratories using, as near as possible, identical samples. This type of comparison is of a relative nature and the absolute values are not necessarily required. In the present work the authors try to satisfy both needs by providing identical samples which have been absolutely calibrated to a high accuracy. Very thin copper and vanadium layers were evaporated onto bismuth implanted silicon crystals and on glass plates under carefully controlled conditions. The mass of the deposits was determined in situ using a sensitive UHV microbalance. In addition, two quartz oscillator monitors were used. The samples have been analysed by Rutherford backscattering and the absolute quantity of bismuth determined by a comparison with the known amounts of deposited material. (Auth.)

  17. Application of electron back-scatter diffraction to texture research

    International Nuclear Information System (INIS)

    Randle, V.

    1996-01-01

    The application of electron back-scatter diffraction (EBSD) to materials research is reviewed. A brief history of the technique is given, followed by a description of present-day operation. The methodology of 'microtexture', i.e. spatially specific orientations, is described and recent examples of its application using EBSD are given, in particular to interstitial-free steel processing, growth of phases in a white iron and grain boundary phenomena in a superplastic alloy. The advantages and disadvantages of EBSD compared to use of X-rays for texture determination are discussed in detail

  18. Electron backscatter diffraction: Strategies for reliable data acquisition and processing

    International Nuclear Information System (INIS)

    Randle, Valerie

    2009-01-01

    In electron backscatter diffraction (EBSD) software packages there are many user choices both in data acquisition and in data processing and display. In order to extract maximum scientific value from an inquiry, it is helpful to have some guidelines for best practice in conducting an EBSD investigation. The purpose of this article therefore is to address selected topics of EBSD practice, in a tutorial manner. The topics covered are a brief summary on the principles of EBSD, specimen preparation, calibration of an EBSD system, experiment design, speed of data acquisition, data clean-up, microstructure characterisation (including grain size) and grain boundary characterisation. This list is not meant to cover exhaustively all areas where EBSD is used, but rather to provide a resource consisting of some useful strategies for novice EBSD users.

  19. A Dictionary Approach to Electron Backscatter Diffraction Indexing.

    Science.gov (United States)

    Chen, Yu H; Park, Se Un; Wei, Dennis; Newstadt, Greg; Jackson, Michael A; Simmons, Jeff P; De Graef, Marc; Hero, Alfred O

    2015-06-01

    We propose a framework for indexing of grain and subgrain structures in electron backscatter diffraction patterns of polycrystalline materials. We discretize the domain of a dynamical forward model onto a dense grid of orientations, producing a dictionary of patterns. For each measured pattern, we identify the most similar patterns in the dictionary, and identify boundaries, detect anomalies, and index crystal orientations. The statistical distribution of these closest matches is used in an unsupervised binary decision tree (DT) classifier to identify grain boundaries and anomalous regions. The DT classifies a pattern as an anomaly if it has an abnormally low similarity to any pattern in the dictionary. It classifies a pixel as being near a grain boundary if the highly ranked patterns in the dictionary differ significantly over the pixel's neighborhood. Indexing is accomplished by computing the mean orientation of the closest matches to each pattern. The mean orientation is estimated using a maximum likelihood approach that models the orientation distribution as a mixture of Von Mises-Fisher distributions over the quaternionic three sphere. The proposed dictionary matching approach permits segmentation, anomaly detection, and indexing to be performed in a unified manner with the additional benefit of uncertainty quantification.

  20. Orientation effects on indexing of electron backscatter diffraction patterns

    International Nuclear Information System (INIS)

    Nowell, Matthew M.; Wright, Stuart I.

    2005-01-01

    Automated Electron Backscatter Diffraction (EBSD) has become a well-accepted technique for characterizing the crystallographic orientation aspects of polycrystalline microstructures. At the advent of this technique, it was observed that patterns obtained from grains in certain crystallographic orientations were more difficult for the automated indexing algorithms to accurately identify than patterns from other orientations. The origin of this problem is often similarities between the EBSD pattern of the correct orientation and patterns from other orientations or phases. While practical solutions have been found and implemented, the identification of these problem orientations generally occurs only after running an automated scan, as problem orientations are often readily apparent in the resulting orientation maps. However, such an approach only finds those problem orientations that are present in the scan area. It would be advantageous to identify all regions of orientation space that may present problems for automated indexing prior to initiating an automated scan, and to minimize this space through the optimization of acquisition and indexing parameters. This work presents new methods for identifying regions in orientation space where the reliability of the automated indexing is suspect prior to performing a scan. This methodology is used to characterize the impact of various parameters on the indexing algorithm

  1. Damage Assessment of Heat Resistant Steels through Electron BackScatter Diffraction Strain Analysis under Creep and Creep-Fatigue Conditions

    Science.gov (United States)

    Fujiyama, Kazunari; Kimachi, Hirohisa; Tsuboi, Toshiki; Hagiwara, Hiroyuki; Ogino, Shotaro; Mizutani, Yoshiki

    EBSD(Electron BackScatter Diffraction) analyses were conducted for studying the quantitative microstructural metrics of creep and creep-fatigue damage for austenitic SUS304HTB boiler tube steel and ferritic Mod.9Cr piping steel. KAM(Kernel Average Misorientation) maps and GOS(Grain Orientation Spread) maps were obtained for these samples and the area averaged values KAMave and GOSave were obtained. While the increasing trends of these misorientation metrics were observed for SUS304HTB steel, the decreasing trends were observed for damaged Mod.9Cr steel with extensive recovery of subgrain structure. To establish more universal parameter representing the accumulation of damage to compensate these opposite trends, the EBSD strain parameters were introduced for converting the misorientation changes into the quantities representing accumulated permanent strains during creep and creep-fatigue damage process. As KAM values were dependent on the pixel size (inversely proportional to the observation magnification) and the permanent strain could be expressed as the shear strain which was the product of dislocation density, Burgers vector and dislocation movement distance, two KAM strain parameters MεKAMnet and MεδKAMave were introduced as the sum of product of the noise subtracted KAMnet and the absolute change from initial value δKAMave with dislocation movement distance divided by pixel size. MεδKAMave parameter showed better relationship both with creep strain in creep tests and accumulated creep strain range in creep-fatigue tests. This parameter can be used as the strain-based damage evaluation and detector of final failure.

  2. Assessing strain mapping by electron backscatter diffraction and confocal Raman microscopy using wedge-indented Si

    International Nuclear Information System (INIS)

    Friedman, Lawrence H.; Vaudin, Mark D.; Stranick, Stephan J.; Stan, Gheorghe; Gerbig, Yvonne B.; Osborn, William; Cook, Robert F.

    2016-01-01

    The accuracy of electron backscatter diffraction (EBSD) and confocal Raman microscopy (CRM) for small-scale strain mapping are assessed using the multi-axial strain field surrounding a wedge indentation in Si as a test vehicle. The strain field is modeled using finite element analysis (FEA) that is adapted to the near-indentation surface profile measured by atomic force microscopy (AFM). The assessment consists of (1) direct experimental comparisons of strain and deformation and (2) comparisons in which the modeled strain field is used as an intermediate step. Direct experimental methods (1) consist of comparisons of surface elevation and gradient measured by AFM and EBSD and of Raman shifts measured and predicted by CRM and EBSD, respectively. Comparisons that utilize the combined FEA–AFM model (2) consist of predictions of distortion, strain, and rotation for comparison with EBSD measurements and predictions of Raman shift for comparison with CRM measurements. For both EBSD and CRM, convolution of measurements in depth-varying strain fields is considered. The interconnected comparisons suggest that EBSD was able to provide an accurate assessment of the wedge indentation deformation field to within the precision of the measurements, approximately 2×10"−"4 in strain. CRM was similarly precise, but was limited in accuracy to several times this value. - Highlights: • We map strain by electron backscatter diffraction and confocal Raman microscopy. • The test vehicle is the multi-axial strain field of wedge-indented silicon. • Strain accuracy is assessed by direct experimental intercomparison. • Accuracy is also assessed by atomic force microscopy and finite element analyses. • Electron diffraction measurements are accurate; Raman measurements need refinement.

  3. Assessing strain mapping by electron backscatter diffraction and confocal Raman microscopy using wedge-indented Si

    Energy Technology Data Exchange (ETDEWEB)

    Friedman, Lawrence H.; Vaudin, Mark D.; Stranick, Stephan J.; Stan, Gheorghe; Gerbig, Yvonne B.; Osborn, William; Cook, Robert F., E-mail: robert.cook@nist.gov

    2016-04-15

    The accuracy of electron backscatter diffraction (EBSD) and confocal Raman microscopy (CRM) for small-scale strain mapping are assessed using the multi-axial strain field surrounding a wedge indentation in Si as a test vehicle. The strain field is modeled using finite element analysis (FEA) that is adapted to the near-indentation surface profile measured by atomic force microscopy (AFM). The assessment consists of (1) direct experimental comparisons of strain and deformation and (2) comparisons in which the modeled strain field is used as an intermediate step. Direct experimental methods (1) consist of comparisons of surface elevation and gradient measured by AFM and EBSD and of Raman shifts measured and predicted by CRM and EBSD, respectively. Comparisons that utilize the combined FEA–AFM model (2) consist of predictions of distortion, strain, and rotation for comparison with EBSD measurements and predictions of Raman shift for comparison with CRM measurements. For both EBSD and CRM, convolution of measurements in depth-varying strain fields is considered. The interconnected comparisons suggest that EBSD was able to provide an accurate assessment of the wedge indentation deformation field to within the precision of the measurements, approximately 2×10{sup −4} in strain. CRM was similarly precise, but was limited in accuracy to several times this value. - Highlights: • We map strain by electron backscatter diffraction and confocal Raman microscopy. • The test vehicle is the multi-axial strain field of wedge-indented silicon. • Strain accuracy is assessed by direct experimental intercomparison. • Accuracy is also assessed by atomic force microscopy and finite element analyses. • Electron diffraction measurements are accurate; Raman measurements need refinement.

  4. Spatially resolved determination of lattice distortions in silicon nanostructures by means of electron-backscattering diffraction

    International Nuclear Information System (INIS)

    Krause, Michael

    2013-01-01

    In the submitted thesis, a novel combined approach of both focused ion beam (FIB) based target preparation and strain determination using electron backscatter diffraction (EBSD) in semiconductor nanostructures is presented. In the first part, a powerful cross-correlation algorithm for detecting small feature shifts within EBSD patterns and, consequently, determining the strain, is presented. The corresponding strain sensitivity is demonstrated using dynamically simulated diffraction patterns. Furthermore, novel procedures for automated pattern analysis are introduced. Results of systematic studies concerning the influence of ion species, ion energy and dose density on the surface quality of silicon surfaces are presented in the second part. For that matter, the assessment of surface amorphization and rippling is based on high resolution microstructural diagnostics (TEM, AFM, Raman) and molecular dynamics simulation. The high application potential of combined FIB preparation and strain analysis using EBSD is exemplarily demonstrated for a 60 nm thick sSOI-sample. The good agreement with established techniques like Raman spectroscopy and X-ray diffraction is also shown.

  5. Practical considerations in the calculation of orientation distribution functions from electron back-scattered diffraction patterns

    International Nuclear Information System (INIS)

    Bowen, A.W.

    1994-01-01

    Using model data sets for the Brass orientation, the importance of scatter width, angular accuracy and grain size and volume fraction on the sensitivity of the calculated Orientation Distribution Functions have been determined in order to highlight some of the practical considerations needed in the processing of experimental data from individual grain orientation measurements determined by the Electron Back-Scattered Diffraction technique. It is suggested that the most appropriate scatter width can be calculated from the maximum function height versus scatter width curve in order to accommodate variations in texture sharpness. The sensitivity of the ODF to careful sample preparation, mounting and pattern analysis, in order to keep errors in angular accuracy to 1 or less is demonstrated, as is the imperative need to correct for the size of grains, and their volume fractions. (orig.)

  6. Understanding deformation with high angular resolution electron backscatter diffraction (HR-EBSD)

    Science.gov (United States)

    Britton, T. B.; Hickey, J. L. R.

    2018-01-01

    High angular resolution electron backscatter diffraction (HR-EBSD) affords an increase in angular resolution, as compared to ‘conventional’ Hough transform based EBSD, of two orders of magnitude, enabling measurements of relative misorientations of 1 x 10-4 rads (~ 0.006°) and changes in (deviatoric) lattice strain with a precision of 1 x 10-4. This is achieved through direct comparison of two or more diffraction patterns using sophisticated cross-correlation based image analysis routines. Image shifts between zone axes in the two-correlated diffraction pattern are measured with sub-pixel precision and this realises the ability to measure changes in interplanar angles and lattice orientation with a high degree of sensitivity. These shifts are linked to strains and lattice rotations through simple geometry. In this manuscript, we outline the basis of the technique and two case studies that highlight its potential to tackle real materials science challenges, such as deformation patterning in polycrystalline alloys.

  7. The use of combined three-dimensional electron backscatter diffraction and energy dispersive X-ray analysis to assess the characteristics of the gamma/gamma-prime microstructure in alloy 720Li™

    International Nuclear Information System (INIS)

    Child, D.J.; West, G.D.; Thomson, R.C.

    2012-01-01

    Multiple three-dimensional reconstructions of a γ/γ′ phase structure in Alloy 720Li have been carried out by employing a serial milling technique with simultaneous electron backscatter diffraction (EBSD) and energy dispersive x-ray (EDX) analysis data collection. Combining EBSD data with EDX is critical in obtaining maps to distinguish between the chemically differing, but crystallographically similar γ and γ′ phases present in the alloy studied. EDX is shown to allow the differentiation of γ and γ′ phases, with EBSD providing increased grain shape accuracy. The combination of data sources also allowed identification of coherent γ/γ′ phase interfaces that would not be identified using solely EBSD or EDX. The study identifies a region of grain banding within the alloy, which provides the basis for a three-dimensional comparison and discussion of γ′ phase size between coarse and fine grain regions, whilst also identifying coherent γ′ phase interfaces, possible only using both EDX and EBSD systems simultaneously. The majority of the γ′ phase lies in the range of 1–10 μm in non-banded regions, with a detectable particle size limit of 500 nm being established. The validity of the reconstruction has been demonstrated using an electron interaction volumes model, and an assessment of the validity of EBSD and EDX data sources is discussed showing γ′ phase connectivity in all dimensions. -- Highlights: ► Use of combined EBSD/EDX for the 3D analysis of gamma prime in a Ni-based alloy. ► Assessment of 3D reconstruction accuracy using CASINO. ► Observation and validation of gamma prime phase connectivity throughout the alloy. ► Identification and characterisation of grain banding in gamma prime. ► Distinction of phase coherency between gamma and gamma prime.

  8. The use of combined three-dimensional electron backscatter diffraction and energy dispersive X-ray analysis to assess the characteristics of the gamma/gamma-prime microstructure in alloy 720Li Trade-Mark-Sign

    Energy Technology Data Exchange (ETDEWEB)

    Child, D.J., E-mail: d.child@lboro.ac.uk [Department of Materials, Loughborough University, Loughborough, Leicestershire, LE11 3TU (United Kingdom); West, G.D., E-mail: g.west@lboro.ac.uk [Department of Materials, Loughborough University, Loughborough, Leicestershire, LE11 3TU (United Kingdom); Thomson, R.C., E-mail: r.c.thomson@lboro.ac.uk [Department of Materials, Loughborough University, Loughborough, Leicestershire, LE11 3TU (United Kingdom)

    2012-03-15

    Multiple three-dimensional reconstructions of a {gamma}/{gamma} Prime phase structure in Alloy 720Li have been carried out by employing a serial milling technique with simultaneous electron backscatter diffraction (EBSD) and energy dispersive x-ray (EDX) analysis data collection. Combining EBSD data with EDX is critical in obtaining maps to distinguish between the chemically differing, but crystallographically similar {gamma} and {gamma} Prime phases present in the alloy studied. EDX is shown to allow the differentiation of {gamma} and {gamma} Prime phases, with EBSD providing increased grain shape accuracy. The combination of data sources also allowed identification of coherent {gamma}/{gamma} Prime phase interfaces that would not be identified using solely EBSD or EDX. The study identifies a region of grain banding within the alloy, which provides the basis for a three-dimensional comparison and discussion of {gamma} Prime phase size between coarse and fine grain regions, whilst also identifying coherent {gamma} Prime phase interfaces, possible only using both EDX and EBSD systems simultaneously. The majority of the {gamma} Prime phase lies in the range of 1-10 {mu}m in non-banded regions, with a detectable particle size limit of 500 nm being established. The validity of the reconstruction has been demonstrated using an electron interaction volumes model, and an assessment of the validity of EBSD and EDX data sources is discussed showing {gamma} Prime phase connectivity in all dimensions. -- Highlights: Black-Right-Pointing-Pointer Use of combined EBSD/EDX for the 3D analysis of gamma prime in a Ni-based alloy. Black-Right-Pointing-Pointer Assessment of 3D reconstruction accuracy using CASINO. Black-Right-Pointing-Pointer Observation and validation of gamma prime phase connectivity throughout the alloy. Black-Right-Pointing-Pointer Identification and characterisation of grain banding in gamma prime. Black-Right-Pointing-Pointer Distinction of phase coherency

  9. Electron backscatter diffraction characterization of laser-induced periodic surface structures on nickel surface

    Energy Technology Data Exchange (ETDEWEB)

    Sedao, Xxx, E-mail: sedao.xxx@gmail.com [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Maurice, Claire [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Garrelie, Florence; Colombier, Jean-Philippe; Reynaud, Stéphanie [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France); Quey, Romain; Blanc, Gilles [Laboratoire Georges Friedel, Ecole Nationale Supérieure des Mines, 42023 St-Etienne (France); Pigeon, Florent [Laboratoire Hubert Curien, Université Jean Monnet, 42000 St-Etienne (France)

    2014-05-01

    Graphical abstract: -- Highlight: •Lattice rotation and its distribution in laser-induced periodic surface structures (LIPSS) and the subsurface region on a nickel substrate are revealed using electron backscatter diffraction (EBSD). -- Abstract: We report on the structural investigation of laser-induced periodic surface structures (LIPSS) generated in polycrystalline nickel target after multi-shot irradiation by femtosecond laser pulses. Electron backscatter diffraction (EBSD) is used to reveal lattice rotation caused by dislocation storage during LIPSS formation. Localized crystallographic damages in the LIPSS are detected from both surface and cross-sectional EBSD studies. A surface region (up to 200 nm) with 1–3° grain disorientation is observed in localized areas from the cross-section of the LIPSS. The distribution of the local disorientation is inhomogeneous across the LIPSS and the subsurface region.

  10. Microstructural evolution in adiabatic shear bands of copper at high strain rates: Electron backscatter diffraction characterization

    International Nuclear Information System (INIS)

    Tang Lin; Chen Zhiyong; Zhan Congkun; Yang Xuyue; Liu Chuming; Cai Hongnian

    2012-01-01

    The microstructural evolution of adiabatic shear bands in annealed copper with different large strains at high strain rates has been investigated by electron backscatter diffraction. The results show that mechanical twinning can occur with minimal contribution to shear localization under dynamic loading. Elongated ultrafine grains with widths of 100–300 nm are observed during the evolution of the adiabatic shear bands. A rotational dynamic recrystallization mechanism is proposed to explain the formation of the elongated ultrafine grains. - Highlights: ► The microstructural evolution of ASB is studied by electron backscatter diffraction. ► Twinning can occur in ASB while the contribution to shear localization is slight. ► Elongated ultrafine grains are observed during the evolution process of ASB. ► A possible mechanism is proposed to explain the microstructure evolution of ASB.

  11. Quantitative microstructure characterization of self-annealed copper films with electron backscatter diffraction

    DEFF Research Database (Denmark)

    Pantleon, Karen; Gholinia, A.; Somers, Marcel A. J.

    2008-01-01

    Electron backscatter diffraction (EBSD) was applied to analyze cross sections of self-annealed copper electrodeposits, for which earlier the kinetics of self-annealing had been investigated by in-situ X-ray diffraction (XRD). The EBSD investigations on the grain size, grain boundary character...... and crystallographic texture of copper films with different thicknesses essentially supplement results from in-situ XRD. Twin relations between neighboring grains were identified from the orientation maps and the observed twin chains confirm multiple twinning in copper electrodeposits as the mechanism...

  12. Identification of phases in zinc alloy powders using electron backscatter diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Perez, Martin G. [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States); Kenik, Edward A. [Oak Ridge National Laboratory, 100 Bethel Valley Rd., Bldg. 4515, MS-6064, P.O. Box 2008, Oak Ridge, TN 37831 (United States); O' Keefe, Matthew J. [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States)]. E-mail: mjokeefe@umr.edu; Miller, F. Scott [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States); Johnson, Benedict [Graduate Center for Materials Research, University of Missouri-Rolla, Rolla, MO 65409 (United States)

    2006-05-25

    Scanning electron microscopy and electron backscatter diffraction (EBSD) were used for the structural characterization of phases in Zn alloy powders. Commercial Zn alloy powders contained additions of <1000 ppm of Bi, In, Al or Mg. Bismuth and In have extremely low solubility in Zn and form intermetallic Bi-In compounds which segregate to the Zn grain boundaries. The Bi-In phases were <0.3 {mu}m in size, had low melting points, and were not abundant enough for EBSD analysis. Increasing the alloying additions 20-40-fold resulted in Bi-In phases >1 {mu}m that could be used for EBSD analysis for phase characterization. Deformation-free microstructures were obtained by mechanical polishing and ion milling. The Zn matrix was characterized as Zn via EBSD. A BiIn{sub 2} phase was identified in the powder microstructures via EBSD. An In phase with 8-9 wt.% Bi was identified using low voltage energy dispersive spectroscopy and closely matched the composition predicted by the Bi-In phase diagram.

  13. Electron backscatter diffraction applied to lithium sheets prepared by broad ion beam milling.

    Science.gov (United States)

    Brodusch, Nicolas; Zaghib, Karim; Gauvin, Raynald

    2015-01-01

    Due to its very low hardness and atomic number, pure lithium cannot be prepared by conventional methods prior to scanning electron microscopy analysis. Here, we report on the characterization of pure lithium metallic sheets used as base electrodes in the lithium-ion battery technology using electron backscatter diffraction (EBSD) and X-ray microanalysis using energy dispersive spectroscopy (EDS) after the sheet surface was polished by broad argon ion milling (IM). No grinding and polishing were necessary to achieve the sufficiently damage free necessary for surface analysis. Based on EDS results the impurities could be characterized and EBSD revealed the microsctructure and microtexture of this material with accuracy. The beam damage and oxidation/hydration resulting from the intensive use of IM and the transfer of the sample into the microscope chamber was estimated to be effect on the surface temperature. However, a cryo-stage should be used if available during milling to guaranty a heating artefact free surface after the milling process. © 2014 Wiley Periodicals, Inc.

  14. Initial microstructural study of a Ce-La alloy using electron backscattered diffraction

    International Nuclear Information System (INIS)

    Scott, Thomas B.; Younes, Charles M.; Ling, Michael; Jones, Christopher P.; Nicholson, John A.; Heard, Peter J.; Jenkins, Roderick

    2011-01-01

    Research highlights: → First ever successful EBSD microstructural analysis of Ce-La alloy. → Successful preparation using electro-polishing in the open laboratory. → Equiaxed grains 20-40 μm in size dominate the microstructure, with random orientations, relatively straight grain boundary contacts and no evidence for crystal twinning. → All grains matched to a fcc γ-phase. → Problematic presence of entrapped oxide particles. - Abstract: To better understand and exploit the unique electronic and structural properties of f-block metals and their alloys it is perceived that an improved knowledge of the microstructural characteristics and phase changes as a function of temperature and pressure, is necessary. For other different types of metallic systems, the use of electron back-scattered diffraction (EBSD) is becoming a common practice in order to obtain detailed microstructural information, but this has, as yet, been very limited in case of f-block metals. Because of their extreme affinity to oxygen and rapid surface reaction, EBSD studies of this metal-category are very sparse with only one work published on cerium metal providing an example of technical hurdles for a prerequisite oxide-free metal surface. Specifically the need to remove the oxide by ion etching was considered essential to enable a successful EBSD analysis. The current work presents the results of a first attempt to characterise the microstructure of a Ce-La alloy using EBSD. It demonstrates that high quality diffraction patterns and crystal orientation maps can be successfully obtained following a carefully controlled preparation of the alloy surface in the open laboratory by applying a simple and reproducible electro-polishing procedure without a further need for ion etching in vaccuo.

  15. The effect of pattern overlap on the accuracy of high resolution electron backscatter diffraction measurements

    Energy Technology Data Exchange (ETDEWEB)

    Tong, Vivian, E-mail: v.tong13@imperial.ac.uk [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom); Jiang, Jun [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom); Wilkinson, Angus J. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Britton, T. Ben [Department of Materials, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom)

    2015-08-15

    High resolution, cross-correlation-based, electron backscatter diffraction (EBSD) measures the variation of elastic strains and lattice rotations from a reference state. Regions near grain boundaries are often of interest but overlap of patterns from the two grains could reduce accuracy of the cross-correlation analysis. To explore this concern, patterns from the interior of two grains have been mixed to simulate the interaction volume crossing a grain boundary so that the effect on the accuracy of the cross correlation results can be tested. It was found that the accuracy of HR-EBSD strain measurements performed in a FEG-SEM on zirconium remains good until the incident beam is less than 18 nm from a grain boundary. A simulated microstructure was used to measure how often pattern overlap occurs at any given EBSD step size, and a simple relation was found linking the probability of overlap with step size. - Highlights: • Pattern overlap occurs at grain boundaries and reduces HR-EBSD accuracy. • A test is devised to measure the accuracy of HR-EBSD in the presence of overlap. • High pass filters can sometimes, but not generally, improve HR-EBSD measurements. • Accuracy of HR-EBSD remains high until the reference pattern intensity is <72%. • 9% of points near a grain boundary will have significant error for 200nm step size in Zircaloy-4.

  16. Electron backscatter diffraction study of dislocation content of a macrozone in hot-rolled Ti-6Al-4V alloy

    International Nuclear Information System (INIS)

    Britton, T. Ben; Birosca, Soran; Preuss, Michael; Wilkinson, Angus J.

    2010-01-01

    We compare the dislocation substructure within macrozone and non-macrozone regions of hot-rolled Ti-6Al-4 V. Hough-based and cross-correlation-based analysis of electron backscatter diffraction (EBSD) patterns are used to establish the grain orientations and intra-granular misorientations, respectively. The set of geometrically necessary dislocations (GNDs) that support measured lattice curvatures and minimize the total GND line energy are calculated. The GND content in the macrozone is approximately twice that in the non-macrozone region, and GNDs are present at densities ∼10 times higher than GNDs.

  17. Mapping 180° polar domains using electron backscatter diffraction and dynamical scattering simulations

    Energy Technology Data Exchange (ETDEWEB)

    Burch, Matthew J.; Fancher, Chris M.; Patala, Srikanth [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States); De Graef, Marc [Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburg, PA (United States); Dickey, Elizabeth C. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States)

    2017-02-15

    A novel technique, which directly and nondestructively maps polar domains using electron backscatter diffraction (EBSD) is described and demonstrated. Through dynamical diffraction simulations and quantitative comparison to experimental EBSD patterns, the absolute orientation of a non-centrosymmetric crystal can be determined. With this information, the polar domains of a material can be mapped. The technique is demonstrated by mapping the non-ferroelastic, or 180°, ferroelectric domains in periodically poled LiNbO{sub 3} single crystals. Further, the authors demonstrate the possibility of mapping polarity using this technique in other polar materials system. - Highlights: • A novel technique to directly polar domains utilizing EBSD is demonstrated. • The technique relies on dynamical diffraction simulations of EBSD patterns. • The technique is demonstrated by mapping 180° domains in LiNbO{sub 3} single crystals. • Further application of this technique to other materials classes is discussed.

  18. High resolution electron backscatter diffraction (EBSD) data from calcite biominerals in recent gastropod shells.

    Science.gov (United States)

    Pérez-Huerta, Alberto; Dauphin, Yannicke; Cuif, Jean Pierre; Cusack, Maggie

    2011-04-01

    Electron backscatter diffraction (EBSD) is a microscopy technique that reveals in situ crystallographic information. Currently, it is widely used for the characterization of geological materials and in studies of biomineralization. Here, we analyze high resolution EBSD data from biogenic calcite in two mollusk taxa, Concholepas and Haliotis, previously used in the understanding of complex biomineralization and paleoenvironmental studies. Results indicate that Concholepas has less ordered prisms than in Haliotis, and that in Concholepas the level of order is not homogenous in different areas of the shell. Overall, the usefulness of data integration obtained from diffraction intensity and crystallographic orientation maps, and corresponding pole figures, is discussed as well as its application to similar studies. © 2010 Elsevier Ltd. All rights reserved.

  19. In situ electron backscattered diffraction of individual GaAs nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Prikhodko, S.V. [Department of Materials Science and Engineering, University of California Los Angeles, Los Angeles, CA 90095 (United States)], E-mail: sergey@seas.ucla.edu; Sitzman, S. [Oxford Instruments America, Concord, MA 01742 (United States); Gambin, V. [Northrop Grumman Space Technology, Redondo Beach, CA 90278 (United States); Kodambaka, S. [Department of Materials Science and Engineering, University of California Los Angeles, Los Angeles, CA 90095 (United States)

    2008-12-15

    We suggest and demonstrate that electron backscattered diffraction, a scanning electron microscope-based technique, can be used for non-destructive structural and morphological characterization of statistically significant number of nanowires in situ on their growth substrate. We obtain morphological, crystal phase, and crystal orientation information of individual GaAs nanowires in situ on the growth substrate GaAs(1 1 1) B. Our results, verified using transmission electron microscopy and selected area electron diffraction analyses of the same set of wires, indicate that most wires possess a wurtzite structure with a high density of thin structural defects aligned normal to the wire growth axis, while others grow defect-free with a zincblende structure. The demonstrated approach is general, applicable to other material systems, and is expected to provide important insights into the role of substrate structure on nanowire structure on nanowire crystallinity and growth orientation.

  20. High energy backscattering analysis using RUMP

    International Nuclear Information System (INIS)

    Doolittle, L.R.

    1990-01-01

    A backscattering analysis program such as RUMP fundamentally requires two reference sets of data in order to accomplish anything useful: stopping powers and scattering cross sections. Users of original versions of RUMP had to be satisfied with polynomial stopping powers geared for 1 to 3 MeV, and purely Rutherford scattering cross sections. As people increasingly turn to high beam energies to solve difficult materials analysis problems, RUMP has evolved greater flexibility for its reference data. It now allows data files to be loaded describing different stopping powers and arbitrary scattering cross sections. Auxiliary programs have been written to generate the reference data files, either from a theory or from measured reference data. Descriptions are given of both the underlying physics and the operational details of the software

  1. Electron backscatter diffraction as a useful method for alloys microstructure characterization

    Energy Technology Data Exchange (ETDEWEB)

    Klimek, Leszek; Pietrzyk, Bozena

    2004-11-17

    Microstructure examination of cast Co-Cr-Mo alloy is presented in this paper. The surface morphology and chemical composition of the alloy were investigated by means of scanning electron microscopy (SEM) and energy dispersive X-ray microanalysis (EDX). An identification of alloy phases was carried out using electron backscatter diffraction (EBSD). Two different kinds of precipitates in metallic matrix were found. They were identified as MC and M{sub 23}C{sub 6} type of carbides in Co-lattice solid solution. The advantages and limits of the EBSD method are described. It is presented that EBSD, as excellent tool for phase identification, is a valuable supplementary method for materials research.

  2. Notes on representing grain size distributions obtained by electron backscatter diffraction

    International Nuclear Information System (INIS)

    Toth, Laszlo S.; Biswas, Somjeet; Gu, Chengfan; Beausir, Benoit

    2013-01-01

    Grain size distributions measured by electron backscatter diffraction are commonly represented by histograms using either number or area fraction definitions. It is shown here that they should be presented in forms of density distribution functions for direct quantitative comparisons between different measurements. Here we make an interpretation of the frequently seen parabolic tales of the area distributions of bimodal grain structures and a transformation formula between the two distributions are given in this paper. - Highlights: • Grain size distributions are represented by density functions. • The parabolic tales corresponds to equal number of grains in a bin of the histogram. • A simple transformation formula is given to number and area weighed distributions. • The particularities of uniform and lognormal distributions are examined

  3. Effects of focused ion beam milling on electron backscatter diffraction patterns in strontium titanate and stabilized zirconia

    DEFF Research Database (Denmark)

    Saowadee, Nath; Agersted, Karsten; Bowen, Jacob R.

    2012-01-01

    This study investigates the effect of focused ion beam (FIB) current and accelerating voltage on electron backscatter diffraction pattern quality of yttria‐stabilized zirconia (YSZ) and Nb‐doped strontium titanate (STN) to optimize data quality and acquisition time for 3D‐EBSD experiments by FIB...

  4. Tackling pseudosymmetry problems in electron backscatter diffraction (EBSD) analyses of perovskite structures

    Science.gov (United States)

    Mariani, Elisabetta; Kaercher, Pamela; Mecklenburgh, Julian; Wheeler, John

    2016-04-01

    Perovskite minerals form an important mineral group that has applications in Earth science and emerging alternative energy technologies, however crystallographic quantification of these minerals with electron backscatter diffraction (EBSD) is not accurate due to pseudosymmetry problems. The silicate perovskite Bridgmanite, (Mg,Fe)SiO3, is understood to be the dominant phase in the Earth's lower mantle. Gaining insight into its physical and rheological properties is therefore vital to understand the dynamics of the Earth's deep interior. Rock deformation experiments on analogue perovskite phases, for example (Ca,Sr)TiO3, combined with quantitative microstructural analyses of the recovered samples by EBSD, yield datasets that can reveal what deformation mechanisms may dominate the flow of perovskite in the lower mantle. Additionally, perovskite structures have important technological applications as new, suitable cathodes for the operation of more efficient and environmentally-friendly solid oxide fuel cells (SOFC). In recent years they have also been recognised as a potential substitute for silicon in the next generation of photovoltaic cells for the construction of economic and energy efficient solar panels. EBSD has the potential to be a valuable tool for the study of crystal orientations achieved in perovskite substrates as crystal alignment has a direct control on the properties of these materials. However, perovskite structures currently present us with challenges during the automated indexing of Kikuchi bands in electron backscatter diffraction patterns (EBSPs). Such challenges are represented by the pseudosymmetric character of perovskites, where atoms are subtly displaced (0.005 nm to 0.05 nm) from their higher symmetry positions. In orthorhombic Pbnm perovskites, for example, pseudosymmetry may be evaluated from the c/a unit cell parameter ratio, which is very close to 1. Two main types of distortions from the higher symmetry structure are recognised: a

  5. Assessment of surface hardening effects from shot peening on a Ni-based alloy using electron backscatter diffraction techniques

    International Nuclear Information System (INIS)

    Child, D.J.; West, G.D.; Thomson, R.C.

    2011-01-01

    An electron backscatter diffraction (EBSD)-based tool is described to assess the depth of strain-hardening effects of shot-peening treatments applied to the Ni-based superalloy, Udimet (copy right) alloy 720Li. The method consists of a statistical analysis of a number of data points from each grain scanned based on the grain orientation spread and their relative position from the shot-peened edge. The output is a quantitative measure of the depth of strain-hardening effects. The tool is used at various shot-peening intensities to demonstrate the ability to distinguish between these changes, using a range of intensities from 4 to 10 Almen. An increase in shot-peening intensity is observed to increase the depth of strain-hardening effects in the alloy. A comparison with residual stress measurements using X-ray diffraction for the same material shows that the strain-hardened depth determined by EBSD extends to approximately half the distance of the residual stress present due to shot peening. A comparison is also made with predicted profiles from the Peenstress SM model and subsequent microhardness testing. A positive correlation is observed between strained hardened depth and surface roughness of the peened samples. In each case, the increases in surface roughness and strain-hardened depth diminish toward the upper end of the shot-peening intensity range studied for this alloy.

  6. In situ electron backscatter diffraction investigation of recrystallization in a copper wire.

    Science.gov (United States)

    Brisset, François; Helbert, Anne-Laure; Baudin, Thierry

    2013-08-01

    The microstructural evolution of a cold drawn copper wire (reduction area of 38%) during primary recrystallization and grain growth was observed in situ by electron backscatter diffraction. Two thermal treatments were performed, and successive scans were acquired on samples undergoing heating from ambient temperature to a steady state of 200°C or 215°C. During a third in situ annealing, the temperature was continuously increased up to 600°C. Nuclei were observed to grow at the expense of the deformed microstructure. This growth was enhanced by the high stored energy difference between the nuclei and their neighbors (driving energy in recrystallization) and by the presence of high-angle grain boundaries of high mobility. In the early stages of growth, the nuclei twin and the newly created orientations continue to grow to the detriment of the strained copper. At high temperatures, the disappearance of some twins was evidenced by the migration of the incoherent twin boundaries. Thermal grooving of grain boundaries is observed at these high temperatures and affects the high mobile boundaries but tends to preserve the twin boundaries of lower energy. Thus, grooving may contribute to the twin vanishing.

  7. Reconstruction of Laser-Induced Surface Topography from Electron Backscatter Diffraction Patterns.

    Science.gov (United States)

    Callahan, Patrick G; Echlin, McLean P; Pollock, Tresa M; De Graef, Marc

    2017-08-01

    We demonstrate that the surface topography of a sample can be reconstructed from electron backscatter diffraction (EBSD) patterns collected with a commercial EBSD system. This technique combines the location of the maximum background intensity with a correction from Monte Carlo simulations to determine the local surface normals at each point in an EBSD scan. A surface height map is then reconstructed from the local surface normals. In this study, a Ni sample was machined with a femtosecond laser, which causes the formation of a laser-induced periodic surface structure (LIPSS). The topography of the LIPSS was analyzed using atomic force microscopy (AFM) and reconstructions from EBSD patterns collected at 5 and 20 kV. The LIPSS consisted of a combination of low frequency waviness due to curtaining and high frequency ridges. The morphology of the reconstructed low frequency waviness and high frequency ridges matched the AFM data. The reconstruction technique does not require any modification to existing EBSD systems and so can be particularly useful for measuring topography and its evolution during in situ experiments.

  8. On the optimum resolution of transmission-electron backscattered diffraction (t-EBSD)

    Energy Technology Data Exchange (ETDEWEB)

    Bremen, R. van; Ribas Gomes, D.; Jeer, L.T.H. de; Ocelík, V., E-mail: v.ocelik@rug.nl; De Hosson, J.Th.M.

    2016-01-15

    The work presented aims at determining the optimum physical resolution of the transmission-electron backscattered diffraction (t-EBSD) technique. The resolution depends critically on intrinsic factors such as the density, atomic number and thickness of the specimen but also on the extrinsic experimental set-up of the electron beam voltage, specimen tilt and detector position. In the present study, the so-called physical resolution of a typical t-EBSD set-up was determined with the use of Monte Carlo simulations and confronted to experimental findings. In the case of a thin Au film of 20 nm, the best resolution obtained was 9 nm whereas for a 100 nm Au film the best resolution was 66 nm. The precise dependence of resolution on thickness was found to vary differently depending on the specific elements involved. This means that the resolution of each specimen should be determined individually. Experimentally the median probe size of the t-EBSD for a 140 nm thick AuAg specimen was measured to be 87 nm. The first and third quartiles of the probe size measurements were found to be 60 nm and 118 nm. Simulation of this specimen resulted in a resolution of 94 nm which fits between these quartiles. - Highlights: • Intrinsic and extrinsic factors affecting resolution of t-EBSD are determined and characterized. • Distinction between resolutions of transmitted and detected electrons is determined. • The simulated results are confirmed experimentally on 140 nm thick AuAg foil.

  9. In situ electron backscatter diffraction (EBSD) during the compression of micropillars

    International Nuclear Information System (INIS)

    Niederberger, C.; Mook, W.M.; Maeder, X.; Michler, J.

    2010-01-01

    For the first time, in situ electron backscatter diffraction (EBSD) measurements during compression experiments by a modified nanoindenter on micron-sized single crystal pillars are demonstrated here. The experimental setup and the requirements concerning the compression sample are described in detail. EBSD mappings have been acquired before loading, under load and after unloading for consecutive compression cycles on a focused ion beam (FIB) milled GaAs micropillar. In situ EBSD allows for the determination of crystallographic orientation with sub-100 nm spatial resolution. Thereby, it provides highly localized information pertaining to the deformation phenomena such as elastic bending of the micropillar or the formation of deformation twins and plastic orientation gradients due to geometrically necessary dislocations. The most striking features revealed by in situ EBSD are the non-negligible amount of reversible (elastic) bending of the micropillar and the fact that deformation twinning and dislocation glide initiate where the bending is strongest. Due to this high spatial and orientation resolution, in situ EBSD measurements during micromechanical testing are demonstrated to be a promising technique for the investigation of deformation phenomena at the nano- to micro-scale.

  10. Electron backscatter diffraction studies of focused ion beam induced phase transformation in cobalt

    Energy Technology Data Exchange (ETDEWEB)

    Jones, H.G., E-mail: helen.jones@npl.co.uk [National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Day, A.P. [Aunt Daisy Scientific Ltd, Claremont House, High St, Lydney GL15 5DX (United Kingdom); Cox, D.C. [National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Advanced Technology Institute, University of Surrey, Guildford GU2 7XH (United Kingdom)

    2016-10-15

    A focused ion beam microscope was used to induce cubic to hexagonal phase transformation in a cobalt alloy, of similar composition to that of the binder phase in a hardmetal, in a controlled manner at 0°, 45° and 80° ion incident angles. The cobalt had an average grain size of ~ 20 μm, allowing multiple orientations to be studied, exposed to a range of doses between 6 × 10{sup 7} and 2 × 10{sup 10} ions/μm{sup 2}. Electron backscatter diffraction (EBSD) was used to determine the original and induced phase orientations, and area fractions, before and after the ion beam exposure. On average, less phase transformation was observed at higher incident angles and after lower ion doses. However there was an orientation effect where grains with an orientation close to (111) planes were most susceptible to phase transformation, and (101) the least, where grains partially and fully transformed at varying ion doses. - Highlights: •Ion-induced phase change in FCC cobalt was observed at multiple incidence angles. •EBSD was used to study the relationship between grain orientation and transformation. •Custom software analysed ion dose and phase change with respect to grain orientation. •A predictive capability of ion-induced phase change in cobalt was enabled.

  11. A preliminary electron backscattered diffraction study of sintered NdFeB-type magnets.

    Science.gov (United States)

    Lillywhite, S J; Williams, A J; Davies, B E; Harris, I R

    2002-03-01

    This paper reports, for the first time, the use of electron backscattered diffraction (EBSD) to study orientation in sintered NdFeB type magnets. The magnetic properties of NdFeB magnets are greatly improved if a strong crystallographic texture is firstly achieved, namely, the direction of the c-axis is along the direction of magnetization. A systematic survey of sample preparation techniques showed that samples that were mechanically polished and then etched gave the most reliable EBSD data. Analyses were made using both fully automated EBSD scans and by EBSD measurements taken after manual movement of the beam. The EBSD results are presented as secondary electron SEM micrographs, orientation images and 001 pole figures. For the selection of grains investigated, the deviation of the c-axis was shown to be between 10 degrees and 30 degrees from the ideal [001]//magnetization direction. It is demonstrated that EBSD is a valuable tool for characterizing the microstructure and texture relationships and for assessing the performance of the processing routes of NdFeB magnets.

  12. Electron Backscatter Diffraction Studies on the Formation of Superlattice Metal Hydride Alloys

    Directory of Open Access Journals (Sweden)

    Shuli Yan

    2017-12-01

    Full Text Available Microstructures of a series of La-Mg-Ni-based superlattice metal hydride alloys produced by a novel method of interaction of a LaNi5 alloy and Mg vapor were studied using a combination of X-ray energy dispersive spectroscopy and electron backscatter diffraction. The conversion rate of LaNi5 increased from 86.8% into 98.2%, and the A2B7 phase abundance increased from 42.5 to 45.8 wt % and reduced to 39.2 wt % with the increase in process time from four to 32 h. During the first stage of reaction, Mg formed discrete grains with the same orientation, which was closely related to the orientation of the host LaNi5 alloy. Mg then diffused through the ab-phase of LaNi5 and formed the AB2, AB3, and A2B7 phases. Diffusion of Mg stalled at the grain boundary of the host LaNi5 alloy. Good alignments in the c-axis between the newly formed superlattice phases and LaNi5 were observed. The density of high-angle grain boundary decreased with the increase in process time and was an indication of lattice cracking.

  13. Plastic strain characterization in austenitic stainless steels and nickel alloys by electron backscatter diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Saez-Maderuelo, A., E-mail: alberto.saez@ciemat.es [CIEMAT, Av. Complutense, 22-28040 Madrid (Spain); Castro, L.; Diego, G. de [CIEMAT, Av. Complutense, 22-28040 Madrid (Spain)

    2011-09-01

    Stress corrosion cracking (SCC) is enhanced by cold work and causes many problems in components of the nuclear power plants. Besides, during manufacturing, installation, welding and service of the material, residual strains can be produced increasing the susceptibility to SCC. For this reason, it is important to characterize the degree of plastic strain due to dislocation accumulation in each crystal. Electron backscatter diffraction (EBSD), in conjunction with scanning electron microscope (SEM), has been a great advance in this field because it enables to estimate the plastic strain in a quick and easy way. Nevertheless, over the last few years, a lot of different mathematical expressions to estimate the plastic strain have appeared in the literature. This situation hinders the election of one of them by a novel scientist in this field. Therefore, in this paper some of the more common expressions used in the calculation of the angular misorientation have been presented and discussed in order to clarify their more important aspects. Then, using one of these expressions (average local misorientation), curves relating misorientation density with known levels of strain will be obtained for an austenitic stainless steel 304L and nickel base alloy 690, which have shown a linear behaviour that is in good agreement with results found in the literature. Finally, using curves obtained in previous steps, levels of plastic strain in a plate of nickel base alloy 600 welded with weld metal 182 were estimated between 8 and 10% for a high temperature mill annealing sample.

  14. Plastic strain characterization in austenitic stainless steels and nickel alloys by electron backscatter diffraction

    International Nuclear Information System (INIS)

    Saez-Maderuelo, A.; Castro, L.; Diego, G. de

    2011-01-01

    Stress corrosion cracking (SCC) is enhanced by cold work and causes many problems in components of the nuclear power plants. Besides, during manufacturing, installation, welding and service of the material, residual strains can be produced increasing the susceptibility to SCC. For this reason, it is important to characterize the degree of plastic strain due to dislocation accumulation in each crystal. Electron backscatter diffraction (EBSD), in conjunction with scanning electron microscope (SEM), has been a great advance in this field because it enables to estimate the plastic strain in a quick and easy way. Nevertheless, over the last few years, a lot of different mathematical expressions to estimate the plastic strain have appeared in the literature. This situation hinders the election of one of them by a novel scientist in this field. Therefore, in this paper some of the more common expressions used in the calculation of the angular misorientation have been presented and discussed in order to clarify their more important aspects. Then, using one of these expressions (average local misorientation), curves relating misorientation density with known levels of strain will be obtained for an austenitic stainless steel 304L and nickel base alloy 690, which have shown a linear behaviour that is in good agreement with results found in the literature. Finally, using curves obtained in previous steps, levels of plastic strain in a plate of nickel base alloy 600 welded with weld metal 182 were estimated between 8 and 10% for a high temperature mill annealing sample.

  15. Experimental evidence concerning the significant information depth of electron backscatter diffraction (EBSD)

    Energy Technology Data Exchange (ETDEWEB)

    Wisniewski, Wolfgang, E-mail: wolfgang.w@uni-jena.de [Otto-Schott-Institut, Jena University, Fraunhoferstr. 6, 07743 Jena (Germany); Saager, Stefan [Fraunhofer Institute for Organic Electronics, Electron Beam and Plasma Technology FEP, Winterbergstraße 28, 01277 Dresden (Germany); Böbenroth, Andrea [Fraunhofer Institute for the Microstructure of Materials and Systems IMWS, Walter-Huelse-Straße 1, 06120 Halle (Saale) (Germany); Rüssel, Christian [Otto-Schott-Institut, Jena University, Fraunhoferstr. 6, 07743 Jena (Germany)

    2017-02-15

    Experiments concerning the information depth of electron backscatter diffraction (EBSD) are performed on samples featuring an amorphous wedge on a crystalline substrate and a crystalline wedge on an amorphous substrate. The effects of the acceleration voltage and exemplary software settings on the ability to measure through an amorphous layer are presented. Changes in the EBSD-signal could be detected through a ≈142 nm thick layer of amorphous Si while orientation measurements could be performed through a ≈116 nm thick layer when using a voltage of 30 kV. The complexity of the information depth significant to a given EBSD-pattern and the multiple parameters influencing it are discussed. It is suggested that a “core information depth” is significant to high quality patterns while a larger “maximum information depth” becomes relevant when the pattern quality decreases or the sample is inhomogeneous within the information volume, i.e. in the form of partially crystalline materials or crystal layers in the nm scale. - Highlights: • Experimental evidence of the significant information depth of EBSD is presented. • Effects of the voltage and exemplary software settings are discussed. • Dependence of the significant information depth on the pattern quality is proposed. • The information depth may reach up to 142 nm in Si when using a voltage of 30 kV. • The information depth depends on the available technology.

  16. Microstructural characterization by electron backscatter diffraction of a hot worked Al-Cu-Mg alloy

    Energy Technology Data Exchange (ETDEWEB)

    Cepeda-Jimenez, C.M., E-mail: cm.cepeda@cenim.csic.es [Department of Physical Metallurgy, CENIM, CSIC, Av. Gregorio del Amo 8, 28040 Madrid (Spain); Hidalgo, P.; Carsi, M.; Ruano, O.A.; Carreno, F. [Department of Physical Metallurgy, CENIM, CSIC, Av. Gregorio del Amo 8, 28040 Madrid (Spain)

    2011-03-25

    Research highlights: {yields} The most favourable conditions for hot workability have been determined. {yields} EBSD was employed to characterize the obtained microtexture and microstructure. {yields} The Al 2024 alloy torsion tested at 408 deg. C and 2.1 s{sup -1} showed maximum ductility. {yields} Solid solution and fine precipitates favour a fine microstructure at 408 deg. C. {yields} The increase in test temperature to 467 deg. C produces a sharp decrease in ductility. - Abstract: Hot torsion tests to fracture to simulate thermomechanical processing were carried out on a solution-treated Al-Cu-Mg alloy (Al 2024-T351) at constant temperature. Torsion tests were conducted in the range 278-467 deg. C, and at two strain rates, 2.1 and 4.5 s{sup -1}. Electron backscatter diffraction (EBSD) was employed to characterize the microtexture and microstructure before and after testing. The microstructural evolution during torsion deformation at different temperatures and strain rate conditions determines the mechanical properties at room temperature of the Al 2024 alloy since grain refining, dynamic precipitation and precipitate coalescence occur during the torsion test. These mechanical properties were measured by Vickers microhardness tests. At 408 deg. C and 2.1 s{sup -1} the optimum combination of solid solution and incipient precipitation gives rise to maximum ductility and large fraction of fine and misoriented grains (f{sub HAB} = 54%). In contrast, the increase in test temperature to 467 deg. C produces a sharp decrease in ductility, attributed to the high proportion of alloying elements in solid solution. Both the stress-strain flow curves obtained by torsion tests and the final microstructures are a consequence of recovery phenomena and the dynamic nature of the precipitation process taking place during deformation.

  17. Determination of grain boundary mobility during recrystallization by statistical evaluation of electron backscatter diffraction measurements

    International Nuclear Information System (INIS)

    Basu, I.; Chen, M.; Loeck, M.; Al-Samman, T.; Molodov, D.A.

    2016-01-01

    One of the key aspects influencing microstructural design pathways in metallic systems is grain boundary motion. The present work introduces a method by means of which direct measurement of grain boundary mobility vs. misorientation dependence is made possible. The technique utilizes datasets acquired by means of serial electron backscatter diffraction (EBSD) measurements. The experimental EBSD measurements are collectively analyzed, whereby datasets were used to obtain grain boundary mobility and grain aspect ratio with respect to grain boundary misorientation. The proposed method is further validated using cellular automata (CA) simulations. Single crystal aluminium was cold rolled and scratched in order to nucleate random orientations. Subsequent annealing at 300 °C resulted in grains growing, in the direction normal to the scratch, into a single deformed orientation. Growth selection was observed, wherein the boundaries with misorientations close to Σ7 CSL orientation relationship (38° 〈111〉) migrated considerably faster. The obtained boundary mobility distribution exhibited a non-monotonic behavior with a maximum corresponding to misorientation of 38° ± 2° about 〈111〉 axes ± 4°, which was 10–100 times higher than the mobility values of random high angle boundaries. Correlation with the grain aspect ratio values indicated a strong growth anisotropy displayed by the fast growing grains. The observations have been discussed in terms of the influence of grain boundary character on grain boundary motion during recrystallization. - Highlights: • Statistical microstructure method to measure grain boundary mobility during recrystallization • Method implementation independent of material or crystal structure • Mobility of the Σ7 boundaries in 5N Al was calculated as 4.7 × 10"–"8 m"4/J ⋅ s. • Pronounced growth selection in the recrystallizing nuclei in Al • Boundary mobility values during recrystallization 2–3 orders of magnitude

  18. Microstructural characterization by electron backscatter diffraction of a hot worked Al-Cu-Mg alloy

    International Nuclear Information System (INIS)

    Cepeda-Jimenez, C.M.; Hidalgo, P.; Carsi, M.; Ruano, O.A.; Carreno, F.

    2011-01-01

    Research highlights: → The most favourable conditions for hot workability have been determined. → EBSD was employed to characterize the obtained microtexture and microstructure. → The Al 2024 alloy torsion tested at 408 deg. C and 2.1 s -1 showed maximum ductility. → Solid solution and fine precipitates favour a fine microstructure at 408 deg. C. → The increase in test temperature to 467 deg. C produces a sharp decrease in ductility. - Abstract: Hot torsion tests to fracture to simulate thermomechanical processing were carried out on a solution-treated Al-Cu-Mg alloy (Al 2024-T351) at constant temperature. Torsion tests were conducted in the range 278-467 deg. C, and at two strain rates, 2.1 and 4.5 s -1 . Electron backscatter diffraction (EBSD) was employed to characterize the microtexture and microstructure before and after testing. The microstructural evolution during torsion deformation at different temperatures and strain rate conditions determines the mechanical properties at room temperature of the Al 2024 alloy since grain refining, dynamic precipitation and precipitate coalescence occur during the torsion test. These mechanical properties were measured by Vickers microhardness tests. At 408 deg. C and 2.1 s -1 the optimum combination of solid solution and incipient precipitation gives rise to maximum ductility and large fraction of fine and misoriented grains (f HAB = 54%). In contrast, the increase in test temperature to 467 deg. C produces a sharp decrease in ductility, attributed to the high proportion of alloying elements in solid solution. Both the stress-strain flow curves obtained by torsion tests and the final microstructures are a consequence of recovery phenomena and the dynamic nature of the precipitation process taking place during deformation.

  19. Geometrically necessary dislocation densities in olivine obtained using high-angular resolution electron backscatter diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Wallis, David, E-mail: davidwa@earth.ox.ac.uk [Department of Earth Sciences, University of Oxford, South Parks Road, Oxford, Oxfordshire, OX1 3AN (United Kingdom); Hansen, Lars N. [Department of Earth Sciences, University of Oxford, South Parks Road, Oxford, Oxfordshire, OX1 3AN (United Kingdom); Ben Britton, T. [Department of Materials, Imperial College London, Royal School of Mines, Exhibition Road, London SW7 2AZ (United Kingdom); Wilkinson, Angus J. [Department of Materials, University of Oxford, Parks Road, Oxford, Oxfordshire, OX1 3PH (United Kingdom)

    2016-09-15

    Dislocations in geological minerals are fundamental to the creep processes that control large-scale geodynamic phenomena. However, techniques to quantify their densities, distributions, and types over critical subgrain to polycrystal length scales are limited. The recent advent of high-angular resolution electron backscatter diffraction (HR-EBSD), based on diffraction pattern cross-correlation, offers a powerful new approach that has been utilised to analyse dislocation densities in the materials sciences. In particular, HR-EBSD yields significantly better angular resolution (<0.01°) than conventional EBSD (~0.5°), allowing very low dislocation densities to be analysed. We develop the application of HR-EBSD to olivine, the dominant mineral in Earth's upper mantle by testing (1) different inversion methods for estimating geometrically necessary dislocation (GND) densities, (2) the sensitivity of the method under a range of data acquisition settings, and (3) the ability of the technique to resolve a variety of olivine dislocation structures. The relatively low crystal symmetry (orthorhombic) and few slip systems in olivine result in well constrained GND density estimates. The GND density noise floor is inversely proportional to map step size, such that datasets can be optimised for analysing either short wavelength, high density structures (e.g. subgrain boundaries) or long wavelength, low amplitude orientation gradients. Comparison to conventional images of decorated dislocations demonstrates that HR-EBSD can characterise the dislocation distribution and reveal additional structure not captured by the decoration technique. HR-EBSD therefore provides a highly effective method for analysing dislocations in olivine and determining their role in accommodating macroscopic deformation. - Highlights: • Lattice orientation gradients in olivine were measured using HR-EBSD. • The limited number of olivine slip systems enable simple least squares inversion for GND

  20. Distinguishing Biologically Controlled Calcareous Biomineralization in Fossil Organisms Using Electron Backscatter Diffraction (EBSD)

    Science.gov (United States)

    Päßler, Jan-Filip; Jarochowska, Emilia; Bestmann, Michel; Munnecke, Axel

    2018-02-01

    Although carbonate-precipitating cyanobacteria are ubiquitous in aquatic ecosystems today, the criteria used to identify them in the geological record are subjective and rarely testable. Differences in the mode of biomineralization between cyanobacteria and eukaryotes, i.e. biologically induced calcification (BIM) vs. biologically controlled calcification (BCM), result in different crystallographic structures which might be used as a criterion to test cyanobacterial affinities. Cyanobacteria are often used as a ‘wastebasket taxon’, to which various microfossils are assigned. The lack of a testable criterion for the identification of cyanobacteria may bias their fossil record severely. We employed electron backscatter diffraction (EBSD) to investigate the structure of calcareous skeletons in two microproblematica widespread in Palaeozoic marine ecosystems: Rothpletzella, hypothesized to be a cyanobacterium, and an incertae sedis microorganism Allonema. We used a calcareous trilobite shell as a BCM reference. The mineralized structure of Allonema has a simple single-layered structure of acicular crystals perpendicular to the surface of the organism. The c-axes of these crystals are parallel to the elongation and thereby normal to the surface of the organism. EBSD pole figures and misorientation axes distribution reveal a fibre texture around the c-axis with a small degree of variation (up to 30°), indicating a highly ordered structure. A comparable pattern was found in the trilobite shell. This structure allows excluding biologically induced mineralization as the mechanism of shell formation in Allonema. In Rothpletzella, the c-axes of the microcrystalline sheath show a broader clustering compared to Allonema, but still reveal crystals tending to be perpendicular to the surface of the organism. The misorientation axes of adjacent crystals show an approximately random distribution. Rothpletzella also shares morphological similarities with extant cyanobacteria. We

  1. Time of flight spectrometry in heavy ions backscattering analysis

    International Nuclear Information System (INIS)

    Chevarier, A.; Chevarier, N.

    1983-05-01

    Time of flight spectrometry for backscattering analysis of MeV heavy ions is proposed. The capabilities and limitations of this method are investigated. Depth and mass resolution obtained in measurements of oxide films thickness as well as in GaAs layers analysis are presented. The importance of minimizing pile-up without significant loss of resolution by use of an adequate absorber set just in front of the rear detector is underlined

  2. Deformation micro-mechanism for compression of magnesium alloys at room temperature analyzed by electron backscatter diffraction

    International Nuclear Information System (INIS)

    Song, G.S.; Chen, Q.Q.; Zhang, S.H.; Xu, Y.

    2015-01-01

    Highlights: • In-situ tracking on the evolution of grains orientation of magnesium alloy was carried out by EBSD. • Distributions of twin bands were closely related to the activation of extension twin variants. • Activation of extension twin significantly changes the order of Schmid factor of slips. • Pyramidal slips become the dominant deformation mode at the late stage of compression. - Abstract: In-situ tracking on the evolution of grains orientation of rolled magnesium alloy sheets compressed uniaxially at room temperature was carried out by the method of electron backscatter diffraction (EBSD), and meanwhile, distributions of twin bands, activations of twin and slips were also analyzed. The results show that the distributions of twin bands were closely related to the activation of extension twin variants. The activation of extension twin significantly changes the order of Schmid factor of different slips, and accordingly affects the activation of slips during the subsequent deformation

  3. Measuring the Shock Stage of Asteroid Regolith Grains by Electron Back-Scattered Diffraction

    Science.gov (United States)

    Zolensky, Michael; Martinez, James; Sitzman, Scott; Mikouchi, Takashi; Hagiya, Kenji; Ohsumi, Kazumasa; Terada, Yasuko; Yagi, Naoto; Komatsu, Mutsumi; Ozawa, Hikaru; hide

    2018-01-01

    We have been analyzing Itokawa samples in order to definitively establish the degree of shock experienced by the regolith of asteroid Itokawa, and to devise a bridge between shock determinations by standard light optical petrography, crystal structures as determined by electron and X-ray diffraction. These techniques would then be available for samples returned from other asteroid regoliths.

  4. Correlation of electron backscatter diffraction and piezoresponse force microscopy for the nanoscale characterization of ferroelectric domains in polycrystalline lead zirconate titanate

    Science.gov (United States)

    Burnett, T. L.; Weaver, P. M.; Blackburn, J. F.; Stewart, M.; Cain, M. G.

    2010-08-01

    The functional properties of ferroelectric ceramic bulk or thin film materials are strongly influenced by their nanostructure, crystallographic orientation, and structural geometry. In this paper, we show how, by combining textural analysis, through electron backscattered diffraction, with piezoresponse force microscopy, quantitative measurements of the piezoelectric properties can be made at a scale of 25 nm, smaller than the domain size. The combined technique is used to obtain data on the domain-resolved effective single crystal piezoelectric response of individual crystallites in Pb(Zr0.4Ti0.6)O3 ceramics. The results offer insight into the science of domain engineering and provide a tool for the future development of new nanostructured ferroelectric materials for memory, nanoactuators, and sensors based on magnetoelectric multiferroics.

  5. A QCD analysis of ZEUS diffractive data

    Energy Technology Data Exchange (ETDEWEB)

    Chekanov, S.; Derrick, M.; Magill, S. [Argonne National Laboratory, Argonne, IL (US)] (and others)

    2009-11-15

    ZEUS inclusive diffractive cross-section measurements have been used in a DGLAP next-to-leading-order QCD analysis to extract the diffractive parton distribution functions. Data on diffractive dijet production in deep inelastic scattering have also been included to constrain the gluon density. Predictions based on the extracted parton densities are compared to diffractive charm and dijet photoproduction data. (orig.)

  6. A QCD analysis of ZEUS diffractive data

    International Nuclear Information System (INIS)

    Chekanov, S.; Derrick, M.; Magill, S.

    2009-11-01

    ZEUS inclusive diffractive cross-section measurements have been used in a DGLAP next-to-leading-order QCD analysis to extract the diffractive parton distribution functions. Data on diffractive dijet production in deep inelastic scattering have also been included to constrain the gluon density. Predictions based on the extracted parton densities are compared to diffractive charm and dijet photoproduction data. (orig.)

  7. Anelasticity of olivine single crystals investigated by stress-reduction tests and high-angular resolution electron backscatter diffraction

    Science.gov (United States)

    Wallis, D.; Hansen, L. N.; Kempton, I.; Wilkinson, A. J.

    2017-12-01

    Geodynamic phenomena, including glacial isostatic adjustment and postseismic deformation, can involve transient deformation in response to changes in differential stress acting on mantle rocks. As such, rheological models of transient deformation are incorporated in predictions of associated processes, including sea-level rise and stress redistribution after earthquakes. However, experimental constraints on rheological models for transient deformation of mantle materials are sparse. In particular, experiments involving stress reductions have been lacking. Moreover, a material's response to a reduction in stress can provide clues to the microphysical processes controlling deformation. To constrain models of transient deformation of mantle rocks we performed stress-reduction tests on single crystals of olivine at 1250-1300°C. Mechanical and piezoelectric actuators controlled constant initial stress during creep. At various strain intervals stress was reduced near-instantaneously using the piezoelectric actuator, inducing both elastic and anelastic (time-dependent) lengthening of the samples. A range of magnitudes of stress reduction were applied, typically unloading 10-90% of the initial stress. High-angular resolution electron backscatter diffraction (HR-EBSD), based on cross-correlation of diffraction patterns, was used to map dislocation density and elastic strain distributions in the recovered samples. Magnitudes of anelastic back-strain increase with increasing magnitudes of stress reduction and show a marked increase when stress reductions exceed 50% of the initial stress, consistent with previous observations in metals and alloys. This observation is inconsistent with the Burgers rheological model commonly used to describe transient behaviour and suggests that the style of rheological behaviour depends on the magnitude of stress change. HR-EBSD maps reveal that the crystal lattices are smoothly curved and generally lack subgrain boundaries and elastic strain

  8. Comparison between magnetic force microscopy and electron back-scatter diffraction for ferrite quantification in type 321 stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Warren, A.D., E-mail: Xander.Warren@bristol.ac.uk [Interface Analysis Centre, HH Wills Laboratory, University of Bristol, Bristol BS8 1FD (United Kingdom); Harniman, R.L. [School of Chemistry, University of Bristol, Bristol BS8 1 TS (United Kingdom); Collins, A.M. [School of Chemistry, University of Bristol, Bristol BS8 1 TS (United Kingdom); Bristol Centre for Functional Nanomaterials, Nanoscience and Quantum Information Centre, University of Bristol, Bristol BS8 1FD (United Kingdom); Davis, S.A. [School of Chemistry, University of Bristol, Bristol BS8 1 TS (United Kingdom); Younes, C.M. [Interface Analysis Centre, HH Wills Laboratory, University of Bristol, Bristol BS8 1FD (United Kingdom); Flewitt, P.E.J. [Interface Analysis Centre, HH Wills Laboratory, University of Bristol, Bristol BS8 1FD (United Kingdom); School of Physics, HH Wills Laboratory, University of Bristol, Bristol BS8 1FD (United Kingdom); Scott, T.B. [Interface Analysis Centre, HH Wills Laboratory, University of Bristol, Bristol BS8 1FD (United Kingdom)

    2015-01-15

    Several analytical techniques that are currently available can be used to determine the spatial distribution and amount of austenite, ferrite and precipitate phases in steels. The application of magnetic force microscopy, in particular, to study the local microstructure of stainless steels is beneficial due to the selectivity of this technique for detection of ferromagnetic phases. In the comparison of Magnetic Force Microscopy and Electron Back-Scatter Diffraction for the morphological mapping and quantification of ferrite, the degree of sub-surface measurement has been found to be critical. Through the use of surface shielding, it has been possible to show that Magnetic Force Microscopy has a measurement depth of 105–140 nm. A comparison of the two techniques together with the depth of measurement capabilities are discussed. - Highlights: • MFM used to map distribution and quantify ferrite in type 321 stainless steels. • MFM results compared with EBSD for same region, showing good spatial correlation. • MFM gives higher area fraction of ferrite than EBSD due to sub-surface measurement. • From controlled experiments MFM depth sensitivity measured from 105 to 140 nm. • A correction factor to calculate area fraction from MFM data is estimated.

  9. Texture development study during the primary recrystallization of ferritic steels by using X ray and electron backscattering diffraction

    International Nuclear Information System (INIS)

    Loew, Marjorie

    2006-01-01

    X ray and electron backscattering diffraction, in distinct levels, were applied to evaluate microstructural changes in two low carbon ferritic steels (2 per cent Si and ABNT 1006), observing the texture development in cold lamination step (skin-pass) and in the subsequent annealing at 760 deg C. In these two steels, results showed that after the skin-pass and annealing in the conditions of the present work, the observed phenomenon is the primary recrystallization. By applying skin-pass dislocations were introduced mostly in low Taylor factor grains as they are prone to be more deformed. Nucleation and grain growth were observed in high density dislocation cell regions. Silicon presence delayed the recovery favoring the sub-boundaries increase. It was not observed the abnormal grain growth, even in the presence of Gross grains. CSL boundaries did not guarantee the grains growth. Growing nuclei gave rise to grains with distinct orientations, showing that the grain growth was not dependent on the previous presence of grains with the developed orientation. This fact demonstrates that the abnormal grain growth is not necessarily related to the Gross grains. (author)

  10. Tolerance analysis on diffraction efficiency and polychromatic integral diffraction efficiency for harmonic diffractive optics

    Science.gov (United States)

    Shan, Mao

    2016-10-01

    In this dissertation, the mathematical model of effect of manufacturing errors including microstructure relative height error and relative width error on diffraction efficiency for the harmonic diffractive optical elements (HDEs) is set up. According to the expression of the phase delay and diffraction efficiency of the HDEs, the expression of diffraction efficiency of refraction and diffractive optical element with the microstructure height and periodic width errors in fabrication process is presented in this paper. Furthermore, the effect of manufacturing errors on diffraction efficiency for the harmonic diffractive optical elements is studied, and diffraction efficiency change is analyzed as the relative microstructure height-error in the same and in the opposite sign as well as relative width-error in the same and in the opposite sign. Example including infrared wavelength with materials GE has been discussed in this paper. Two kinds of manufacturing errors applied in 3.7 4.3um middle infrared and 8.7-11.5um far infrared optical system which results in diffraction efficiency and PIDE of HDEs are studied. The analysis results can be used for manufacturing error control in micro-structure height and periodic width. Results can be used for HDEs processing.

  11. Small area analysis using micro-diffraction techniques

    International Nuclear Information System (INIS)

    Goehner, Raymond P.; Tissot, Ralph G. Jr.; Michael, Joseph R.

    2000-01-01

    An overall trend toward smaller electronic packages and devices makes it increasingly important and difficult to obtain meaningful diffraction information from small areas. X-ray micro-diffraction, electron back-scattered diffraction (EBSD) and Kossel are micro-diffraction techniques used for crystallographic analysis including texture, phase identification and strain measurements. X-ray micro-diffraction primarily is used for phase analysis and residual strain measurements. X-ray micro-diffraction primarily is used for phase analysis and residual strain measurements of areas between 10 microm to 100 microm. For areas this small glass capillary optics are used for producing a usable collimated x-ray beam. These optics are designed to reflect x-rays below the critical angle therefore allowing for larger solid acceptance angle at the x-ray source resulting in brighter smaller x-ray beams. The determination of residual strain using micro-diffraction techniques is very important to the semiconductor industry. Residual stresses have caused voiding of the interconnect metal which then destroys electrical continuity. Being able to determine the residual stress helps industry to predict failures from the aging effects of interconnects due to this stress voiding. Stress measurements would be impossible using a conventional x-ray diffractometer; however, utilizing a 30 microm glass capillary these small areas are readily assessable for analysis. Kossel produces a wide angle diffraction pattern from fluorescent x-rays generated in the sample by an e-beam in a SEM. This technique can yield very precise lattice parameters for determining strain. Fig. 2 shows a Kossel pattern from a Ni specimen. Phase analysis on small areas is also possible using an energy dispersive spectrometer (EBSD) and x-ray micro-diffraction techniques. EBSD has the advantage of allowing the user to observe the area of interest using the excellent imaging capabilities of the SEM. An EDS detector has been

  12. Strong Localization in Disordered Media: Analysis of the Backscattering Cone

    KAUST Repository

    Delgado, Edgar

    2012-06-01

    A very interesting effect in light propagation through a disordered system is Anderson localization of light, this phenomenon emerges as the result of multiple scattering of waves by electric inhomogeneities like spatial variations of index of refraction; as the amount of scattering is increased, light propagation is converted from quasi-diffusive to exponentially localized, with photons confined in a limited spatial region characterized by a fundamental quantity known as localization length. Light localization is strongly related to another interference phenomenon emerged from the multiple scattering effect: the coherent backscattering effect. In multiple scattering of waves, in fact, coherence is preserved in the backscattering direction and produces a reinforcement of the field flux originating an observable peak in the backscattered intensity, known as backscattering cone. The study of this peak provide quantitative information about the transport properties of light in the material. In this thesis we report a complete FDTD ab-initio study of light localization and coherent backscattering. In particular, we consider a supercontinuum pulse impinging on a sample composed of randomly positioned scatterers. We study coherent backscattering by averaging over several realizations of the sample properties. We study then the coherent backscattering cone properties as the relative permittivity of the sample is changed, relating the latter with the light localization inside the sample. We demonstrate important relationships between the width of the backscattering cone and the localization length, which shows a linear proportionality in the strong localization regime.

  13. Inferential statistics of electron backscatter diffraction data from within individual crystalline grains

    DEFF Research Database (Denmark)

    Bachmann, Florian; Hielscher, Ralf; Jupp, Peter E.

    2010-01-01

    -spatial statistical analysis adapts ideas borrowed from the Bingham quaternion distribution on . Special emphasis is put on the mathematical definition and the numerical determination of a `mean orientation' characterizing the crystallographic grain as well as on distinguishing several types of symmetry......Highly concentrated distributed crystallographic orientation measurements within individual crystalline grains are analysed by means of ordinary statistics neglecting their spatial reference. Since crystallographic orientations are modelled as left cosets of a given subgroup of SO(3), the non...... of the orientation distribution with respect to the mean orientation, like spherical, prolate or oblate symmetry. Applications to simulated as well as to experimental data are presented. All computations have been done with the free and open-source texture toolbox MTEX....

  14. Dark-field imaging based on post-processed electron backscatter diffraction patterns of bulk crystalline materials in a scanning electron microscope.

    Science.gov (United States)

    Brodusch, Nicolas; Demers, Hendrix; Gauvin, Raynald

    2015-01-01

    Dark-field (DF) images were acquired in the scanning electron microscope with an offline procedure based on electron backscatter diffraction (EBSD) patterns (EBSPs). These EBSD-DF images were generated by selecting a particular reflection on the electron backscatter diffraction pattern and by reporting the intensity of one or several pixels around this point at each pixel of the EBSD-DF image. Unlike previous studies, the diffraction information of the sample is the basis of the final image contrast with a pixel scale resolution at the EBSP providing DF imaging in the scanning electron microscope. The offline facility of this technique permits the selection of any diffraction condition available in the diffraction pattern and displaying the corresponding image. The high number of diffraction-based images available allows a better monitoring of deformation structures compared to electron channeling contrast imaging (ECCI) which is generally limited to a few images of the same area. This technique was applied to steel and iron specimens and showed its high capability in describing more rigorously the deformation structures around micro-hardness indents. Due to the offline relation between the reference EBSP and the EBSD-DF images, this new technique will undoubtedly greatly improve our knowledge of deformation mechanism and help to improve our understanding of the ECCI contrast mechanisms. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Assessing the precision of strain measurements using electron backscatter diffraction – Part 2: Experimental demonstration

    International Nuclear Information System (INIS)

    Britton, T.B.; Jiang, J.; Clough, R.; Tarleton, E.; Kirkland, A.I.; Wilkinson, A.J.

    2013-01-01

    The residual impression after performing a microhardness indent in silicon has been mapped with high resolution EBSD to reveal residual elastic strain and lattice rotation fields. Mapping of the same area has been performed with variable pattern binning and exposure times to reveal the qualitative and quantitative differences resulting from reducing the pattern size and exposure time. Two dimension ‘image’ plots of these fields indicate that qualitative assessment of the shape and size of the fields can be performed with as much as 4×4 binning. However, quantitative assessment using line scans reveals that the smoothest profile can be obtained using minimal pattern binning and long exposure times. To compare and contrast with these experimental maps, finite element analysis has been performed using a continuum damage-plasticity material law which has been independently calibrated to Si [9]. The constitutive law incorporates isotropic hardening in compression, and isotropic hardening and damage in tension. To accurately capture the localised damage which develops during indentation via the nucleation and propagation of cracks around the indentation site cohesive elements were assigned along the interfaces between the planes which experience the maximum traction. The residual strain state around the indenter and the size of the cracks agree very well with the experimentally measured value. - Highlights: • Similar deformation fields around a microhardness indent have been characterised with HR-EBSD and simulated with a finite element model. • Qualitative assessment of the stress field can be performed with significant EBSD pattern binning (i.e. faster capture of maps). • Quantitative assessment of the stress fields benefits significantly from increased exposure times and minimal binning

  16. The analysis of powder diffraction data

    International Nuclear Information System (INIS)

    David, W.I.F.; Harrison, W.T.A.

    1986-01-01

    The paper reviews neutron powder diffraction data analysis, with emphasis on the structural aspects of powder diffraction and the future possibilities afforded by the latest generation of very high resolution neutron and x-ray powder diffractometers. Traditional x-ray powder diffraction techniques are outlined. Structural studies by powder diffraction are discussed with respect to the Rietveld method, and a case study in the Rietveld refinement method and developments of the Rietveld method are described. Finally studies using high resolution powder diffraction at the Spallation Neutron Source, ISIS at the Rutherford Appleton Laboratory are summarized. (U.K.)

  17. Application of Electron Backscattered Diffraction (EBSD) and Atomic Force Microscopy (AFM) to Determine Texture, Mesotexture, and Grain Boundary Energies in Ceramics

    International Nuclear Information System (INIS)

    Glass, S.J.; Rohrer, G.S.; Saylor, D.M.; Vedula, V.R.

    1999-01-01

    Crystallographic orientations in alumina (Al 2 0 3 ) and magnesium aluminate spinel (MgAl 2 0 4 ) were obtained using electron backscattered diffraction (EBSD) patterns. The texture and mesotexture (grain boundary mis-orientations) were random and no special boundaries were observed. The relative grain boundary energies were determined by thermal groove geometries using atomic force microscopy (AFM) to identify relationships between the grain boundary energies and mis-orientations

  18. A study of the breakdown of Friedel's law in electron backscatter Kikuchi diffraction patterns: Application to zincblende-type structures

    International Nuclear Information System (INIS)

    Baba-Kishi, K.Z.

    1991-01-01

    The breakdown of Friedel's law has been observed in backscatter Kikuchi diffraction patterns (BKDP) obtained in the scanning electron microscope (SEM) from a series of zincblende structures including GaAs, InP, GaSb, CdHgTe and the minerals sphalerite (ZnS), chalcopyrite (CuFeS 2 ) and tetrahedrite (Cu 12 Sb 4 S 13 ). Differences in intensities were observed between the reflections 11anti 1 and 5anti 1anti 1 in InP, GaSb, CdHgTe and sphalerite, thus allowing the non-centrosymmetric point group anti 43 m to be determined. In GaAs, differences in intensities were noted between anti 511 and anti 5anti 11. In chalcopyrite and tetrahedrite, non-equivalent intensities were observed between anti 215 and 2anti 1anti 5 and between 3anti 1anti 2 and 31anti 2, respectively. In addition, BKDPs obtained from chalcopyrite revealed a small displacement at the point where the pair of equivalent reflections anti 406 and 460 intersect within the Kikuchi band 02anti 2. The presence of this displacement together with observation of the breakdown of Friedel's law confirmed the tetragonal point group anti 42m for chalcopyrite. Although the point groups of GaAs, chalcopyrite and tetrahedrite were derived successfully using BKDPs, determination of their space groups proved unsuccessful. The superstructure reflections were invisible because the structure factors are very small. The behaviour of the invisible 200 reflection in GaAs is investigated using many-beam dynamical intensity profiles calculated across the h00 systematic row of reflections. Dynamical intensity profiles calculated across the h00 systematic rows of reflections for Ge, InP and sphalerite are also discussed. (orig.)

  19. Damage measurement of structural material by electron backscatter diffraction. Quantification of measurement quality toward standardization of measurement procedure

    International Nuclear Information System (INIS)

    Kamaya, Masayuki

    2011-01-01

    Several attempts have been made to assess the damage induced in materials by crystal orientation distributions identified using electron backscatter diffraction (EBSD). In particular, the local misorientation, which is the misorientation between neighboring measurement points, was shown to correlate well with the degree of material damage such as plastic strain, fatigue and creep. However, the damage assessments conducted using the local misorientations were qualitative rather than quantitative. The local misorientation can be correlated theoretically with physical parameters such as dislocation density. However, the error in crystal orientation measurements makes quantitative evaluation of the local misorientation difficult. Furthermore, the local misorientation depends on distance between the measurement points (step size). For a quantitative assessment of the local misorientation, the error in the crystal orientation measurements must be reduced or the degree of error must be shown quantitatively. In this study, first, the influence of the quality of measurements (accuracy of measurements) and step size on the local misorientation was investigated using stainless steel specimens damaged by tensile deformation or fatigue. By performing the crystal orientation measurements with different conditions, it was shown that the quality of measurement could be represented by the error index, which was previously proposed by the author. Secondly, a filtering process was applied in order to improve the accuracy of crystal orientation measurements and its effect was investigated using the error index. It was revealed that the local misorientations obtained under different measurement conditions could be compared quantitatively only when the error index and the step size were almost or exactly the same. It was also shown that the filtering process could successfully reduce the measurement error and step size dependency of the local misorientations. By applying the filtering

  20. Electron backscatter diffraction study of deformation and recrystallization textures of individual phases in a cross-rolled duplex steel

    Energy Technology Data Exchange (ETDEWEB)

    Zaid, Md; Bhattacharjee, P.P., E-mail: pinakib@iith.ac.in

    2014-10-15

    The evolution of microstructure and texture during cross-rolling and annealing was investigated by electron backscatter diffraction in a ferritic–austenitic duplex stainless steel. For this purpose an alloy with nearly equal volume fraction of the two phases was deformed by multi-pass cross-rolling process up to 90% reduction in thickness. The rolling and transverse directions were mutually interchanged in each pass by rotating the sample by 90° around the normal direction. In order to avoid deformation induced phase transformation and dynamic strain aging, the rolling was carried out at an optimized temperature of 898 K (625 °C) at the warm-deformation range. The microstructure after cross warm-rolling revealed a lamellar structure with alternate arrangement of the bands of two phases. Strong brass and rotated brass components were observed in austenite in the steel after processing by cross warm-rolling. The ferrite in the cross warm-rolling processed steel showed remarkably strong RD-fiber (RD//< 011 >) component (001)< 011 >. The development of texture in the two phases after processing by cross warm-rolling could be explained by the stability of the texture components. During isothermal annealing of the 90% cross warm-rolling processed material the lamellar morphology was retained before collapse of the lamellar structure to the mutual interpenetration of the phase bands. Ferrite showed recovery resulting in annealing texture similar to the deformation texture. In contrast, the austenite showed primary recrystallization without preferential orientation selection leading to the retention of deformation texture. The evolution of deformation and annealing texture in the two phases of the steel was independent of one another. - Highlights: • Effect of cross warm-rolling on texture formation is studied in duplex steel. • Brass texture in austenite and (001)<110 > in ferrite are developed. • Ferrite shows recovery during annealing retaining the (001

  1. Diffraction analysis of the microstructure of materials

    CERN Document Server

    Scardi, Paolo

    2004-01-01

    Diffraction Analysis of the Microstructure of Materials provides an overview of diffraction methods applied to the analysis of the microstructure of materials. Since crystallite size and the presence of lattice defects have a decisive influence on the properties of many engineering materials, information about this microstructure is of vital importance in developing and assessing materials for practical applications. The most powerful and usually non-destructive evaluation techniques available are X-ray and neutron diffraction. The book details, among other things, diffraction-line broadening methods for determining crystallite size and atomic-scale strain due, e.g. to dislocations, and methods for the analysis of residual (macroscale) stress. The book assumes only a basic knowledge of solid-state physics and supplies readers sufficient information to apply the methods themselves.

  2. A correlative approach to segmenting phases and ferrite morphologies in transformation-induced plasticity steel using electron back-scattering diffraction and energy dispersive X-ray spectroscopy.

    Science.gov (United States)

    Gazder, Azdiar A; Al-Harbi, Fayez; Spanke, Hendrik Th; Mitchell, David R G; Pereloma, Elena V

    2014-12-01

    Using a combination of electron back-scattering diffraction and energy dispersive X-ray spectroscopy data, a segmentation procedure was developed to comprehensively distinguish austenite, martensite, polygonal ferrite, ferrite in granular bainite and bainitic ferrite laths in a thermo-mechanically processed low-Si, high-Al transformation-induced plasticity steel. The efficacy of the ferrite morphologies segmentation procedure was verified by transmission electron microscopy. The variation in carbon content between the ferrite in granular bainite and bainitic ferrite laths was explained on the basis of carbon partitioning during their growth. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. A study of intergranular corrosion of austenitic stainless steel by electrochemical potentiodynamic reactivation, electron back-scattering diffraction and cellular automaton

    Energy Technology Data Exchange (ETDEWEB)

    Yu Xiaofei [Department of Chemistry, Shandong University, Jinan 250100 (China); Chen Shenhao [Department of Chemistry, Shandong University, Jinan 250100 (China); State Key Laboratory for Corrosion and Protection, Shenyang 110016 (China)], E-mail: shchen@sdu.edu.cn; Liu Ying; Ren Fengfeng [Department of Chemistry, Shandong University, Jinan 250100 (China)

    2010-06-15

    The impact of solution and sensitization treatments on the intergranular corrosion (IGC) of austenitic stainless steel (316) was studied by electrochemical potentiodynamic reactivation (EPR) test, and the results showed the degree of sensitization (DOS) decreased as solution treatment temperature and time went up, but it increased as sensitization temperature prolonged. Factors that affected IGC were investigated by field emission scanning electron microscope (FE-SEM) and electron back-scattering diffraction (EBSD). Furthermore, the precipitation evolution of Cr-rich carbides and the distribution of chromium concentration were simulated by cellular automaton (CA), clearly showing the effects of solution and sensitization treatments on IGC.

  4. Quantitative analysis of Moessbauer backscatter spectra from multilayer films

    International Nuclear Information System (INIS)

    Bainbridge, J.

    1975-01-01

    The quantitative interpretation of Moessbauer backscatter spectra with particular reference to internal conversion electrons has been treated assuming that electron attenuation in a surface film can be satisfactorily described by a simple exponential law. The theory of Krakowski and Miller has been extended to include multi-layer samples, and a relation between the Moessbauer spectrum area and an individual layer thickness derived. As an example, numerical results are obtained for a duplex oxide film grown on pure iron. (Auth.)

  5. Diffraction analysis of customized illumination technique

    Science.gov (United States)

    Lim, Chang-Moon; Kim, Seo-Min; Eom, Tae-Seung; Moon, Seung Chan; Shin, Ki S.

    2004-05-01

    Various enhancement techniques such as alternating PSM, chrome-less phase lithography, double exposure, etc. have been considered as driving forces to lead the production k1 factor towards below 0.35. Among them, a layer specific optimization of illumination mode, so-called customized illumination technique receives deep attentions from lithographers recently. A new approach for illumination customization based on diffraction spectrum analysis is suggested in this paper. Illumination pupil is divided into various diffraction domains by comparing the similarity of the confined diffraction spectrum. Singular imaging property of individual diffraction domain makes it easier to build and understand the customized illumination shape. By comparing the goodness of image in each domain, it was possible to achieve the customized shape of illumination. With the help from this technique, it was found that the layout change would not gives the change in the shape of customized illumination mode.

  6. Radio-analysis of hydrogenous material using neutron back-scattering technique

    International Nuclear Information System (INIS)

    Holly, Wiam Ahmed Alteghany

    2014-10-01

    In this work, we have explored the possibility of using neutron back-scattering technique in performing radio analysis for samples of hydrogenous materials such as explosives, drugs, crude oil and water, looking for different signals that may be used to discriminate these samples. Monte Carlo simulations were carried out to model the detection system and select the optimal geometry as well. The results were determined in terms of the energy spectra of the back-scattered neutrons.(Author)

  7. 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)

  8. Reactor applications of quantitative diffraction analysis

    International Nuclear Information System (INIS)

    Feguson, I.F.

    1976-09-01

    Current work in quantitative diffraction analysis was presented under the main headings of: thermal systems, fast reactor systems, SGHWR applications and irradiation damage. Preliminary results are included on a comparison of various new instrumental methods of boron analysis as well as preliminary new results on Zircaloy corrosion, and materials transfer in liquid sodium. (author)

  9. Data analysis of backscattering LIDAR system correlated with meteorological data

    International Nuclear Information System (INIS)

    Uehara, Sandro Toshio

    2009-01-01

    In these last years, we had an increase in the interest in the monitoring of the effect of the human activity being on the atmosphere and the climate in the planet. The remote sensing techniques has been used in many studies, also related the global changes. A backscattering LIDAR system, the first of this kind in Brazil, has been used to provide the vertical profile of the aerosol backscatter coefficient at 532 nm up to an altitude of 4-6 km above sea level. In this study, data has was collected in the year of 2005. These data had been correlated with data of solar photometer CIMEL and also with meteorological data. The main results had indicated to exist a standard in the behavior of these meteorological data and the vertical distribution of the extinction coefficient gotten through LIDAR. In favorable periods of atmospheric dispersion, that is, rise of the temperature of associated air the fall of relative humidity, increase of the atmospheric pressure and low ventilation tax, was possible to determine with good precision the height of the Planetary Boundary Layer, as much through the vertical profile of the extinction coefficient how much through the technique of the vertical profile of the potential temperature. The technique LIDAR showed to be an important tool in the determination of the thermodynamic structure of the atmosphere, assisting to characterize the evolution of the CLP throughout the day, which had its good space and secular resolution. (author)

  10. Rietveld analysis, powder diffraction and cement

    International Nuclear Information System (INIS)

    Peterson, V.

    2002-01-01

    Full text: Phase quantification of cement is essential in its industrial use, however many methods are inaccurate and/or time consuming. Powder diffraction is one of the more accurate techniques used for quantitative phase analysis of cement. There has been an increase in the use of Rietveld refinement and powder diffraction for the analysis and phase quantification of cement and its components in recent years. The complex nature of cement components, existence of solid solutions, polymorphic variation of phases and overlapping phase peaks in diffraction patterns makes phase quantification of cements by powder diffraction difficult. The main phase in cement is alite, a solid solution of tricalcium silicate. Tricalcium silicate has been found to exist in seven modifications in three crystal systems, including triclinic, monoclinic, and rhombohedral structures. Hence, phase quantification of cements using Rietveld methods usually involves the simultaneous modelling of several tricalcium silicate structures to fit the complex alite phase. An industry ordinary Portland cement, industry and standard clinker, and a synthetic tricalcium silicate were characterised using neutron, laboratory x-ray and synchrotron powder diffraction. Diffraction patterns were analysed using full-profile Rietveld refinement. This enabled comparison of x-ray, neutron and synchrotron data for phase quantification of the cement and examination of the tricalcium silicate. Excellent Rietveld fits were achieved, however the results showed that the quantitative phase analysis results differed for some phases in the same clinker sample between various data sources. This presentation will give a short introduction about cement components including polymorphism, followed by the presentation of some problems in phase quantification of cements and the role of Rietveld refinement in solving these problems. Copyright (2002) Australian X-ray Analytical Association Inc

  11. Quantitative Analysis of Venus Radar Backscatter Data in ArcGIS

    Science.gov (United States)

    Long, S. M.; Grosfils, E. B.

    2005-01-01

    Ongoing mapping of the Ganiki Planitia (V14) quadrangle of Venus and definition of material units has involved an integrated but qualitative analysis of Magellan radar backscatter images and topography using standard geomorphological mapping techniques. However, such analyses do not take full advantage of the quantitative information contained within the images. Analysis of the backscatter coefficient allows a much more rigorous statistical comparison between mapped units, permitting first order selfsimilarity tests of geographically separated materials assigned identical geomorphological labels. Such analyses cannot be performed directly on pixel (DN) values from Magellan backscatter images, because the pixels are scaled to the Muhleman law for radar echoes on Venus and are not corrected for latitudinal variations in incidence angle. Therefore, DN values must be converted based on pixel latitude back to their backscatter coefficient values before accurate statistical analysis can occur. Here we present a method for performing the conversions and analysis of Magellan backscatter data using commonly available ArcGIS software and illustrate the advantages of the process for geological mapping.

  12. An electron back-scattered diffraction study on the microstructure evolution of AZ31 Mg alloy during equal channel angular extrusion

    International Nuclear Information System (INIS)

    Jin Li; Lin Dongliang; Mao Dali; Zeng Xiaoqin; Ding Wenjiang

    2006-01-01

    Microstructure evolution of AZ31 Mg alloy during equal channel angular extrusion (ECAE) was investigated by electron back-scattered diffraction (EBSD). The grains of AZ31 Mg alloy were refined significantly after ECAE 1-8 passes at 498 K and the distributions of grain size tended to be more uniform with pass number increasing. Frequency of sub-boundaries and low angle grain boundaries (LAGBs) increased at initial stage of deformation, and sub-boundaries and LAGBs evolved into high angle grain boundaries (HAGBs) with further deformation, which resulted in the high frequency of HAGBs in the alloy after ECAE 8 passes. Preferred misorientation angle with frequency peak near 30 deg. and 90 deg. were observed. The frequency peaks were weak after ECAE 1 pass but became stronger with the increase of pass numbers. Micro-textures were formed in AZ31 microstructure during ECAE and were stronger with the pass number increasing

  13. Forest anisotropy assessment by means of spatial variations analysis of PolSAR backscattering

    Directory of Open Access Journals (Sweden)

    A. V. Dmitriev

    2017-06-01

    Full Text Available The possibility to synthesize polarization response from earth covers at any desired combination of transmit and receive antenna polarizations is the significant advantage of polarimetric radar. It permits better identification of dominant scattering mechanisms especially when analyzing polarization signatures. These signatures depict more details of physical information from target backscattering in various polarization bases. However, polarization signatures cannot reveal spatial variations of the radar backscattering caused by volume heterogeneity of a target. This paper proposes a new approach for estimating volume target heterogeneity from polarimetric synthetic aperture radar (PolSAR images. The approach is based on the analysis of a novel type of polarization signature, which we call fractal polarization signature (FPS. This signature is a result of polarization synthesis of initial fully polarimetric data and subsequent fractal analysis of synthesized images. It is displayed as a 3D plot and can be produced for each point in an image. It is shown that FPS describes backscattering variations or image roughness at different states of polarization. Fully polarimetric data of SIR-C and ALOS PALSAR at ascending/descending orbits were used for testing the proposed approach. The azimuthal dependence of the radar backscattering variations is discovered when analyzing backscattering from a pine forest. It correlates with the results of a field survey of trees branch distribution.

  14. Laser diffraction analysis of colloidal crystals

    Energy Technology Data Exchange (ETDEWEB)

    Sogami, Ikuo S.; Shinohara, Tadatomi; Yoshiyama, Tsuyoshi [Kyoto Sangyo Univ., Department of Physics, Kyoto (Japan)

    2001-10-01

    Laser diffraction analysis is made on crystallization in salt-free aqueous suspensions of highly-charged colloidal particles for semi-dilute specimens of concentration 0.1-10.0 vol%. Kossel diffraction patterns which represent faithfully accurate information on lattice symmetries in the suspensions enable us to investigate the time evolution of colloidal crystals. The results show that the crystallization proceeds by way of the following intermediate phase transitions: two-dimensional hcp structure {yields} random layer structure {yields} layer structure with one sliding degree of freedom {yields} stacking disorder structure {yields} stacking structure with multivariant periodicity {yields} fcc twin structure with twin plane (111) {yields} normal fcc structure {yields} bcc twin structure with twin plane (11-bar2) or (1-bar12) {yields} normal bcc structure. For concentrated suspensions (>2 vol %), the phase transition ceases to proceed at the normal fcc structure. (author)

  15. Laser diffraction analysis of colloidal crystals

    International Nuclear Information System (INIS)

    Sogami, Ikuo S.; Shinohara, Tadatomi; Yoshiyama, Tsuyoshi

    2001-01-01

    Laser diffraction analysis is made on crystallization in salt-free aqueous suspensions of highly-charged colloidal particles for semi-dilute specimens of concentration 0.1-10.0 vol%. Kossel diffraction patterns which represent faithfully accurate information on lattice symmetries in the suspensions enable us to investigate the time evolution of colloidal crystals. The results show that the crystallization proceeds by way of the following intermediate phase transitions: two-dimensional hcp structure → random layer structure → layer structure with one sliding degree of freedom → stacking disorder structure → stacking structure with multivariant periodicity → fcc twin structure with twin plane (111) → normal fcc structure → bcc twin structure with twin plane (11-bar2) or (1-bar12) → normal bcc structure. For concentrated suspensions (>2 vol %), the phase transition ceases to proceed at the normal fcc structure. (author)

  16. Backscattering analysis of high frequency ultrasonic imaging for ultrasound-guided breast biopsy

    Science.gov (United States)

    Cummins, Thomas; Akiyama, Takahiro; Lee, Changyang; Martin, Sue E.; Shung, K. Kirk

    2017-03-01

    A new ultrasound-guided breast biopsy technique is proposed. The technique utilizes conventional ultrasound guidance coupled with a high frequency embedded ultrasound array located within the biopsy needle to improve the accuracy in breast cancer diagnosis.1 The array within the needle is intended to be used to detect micro- calcifications indicative of early breast cancers such as ductal carcinoma in situ (DCIS). Backscattering analysis has the potential to characterize tissues to improve localization of lesions. This paper describes initial results of the application of backscattering analysis of breast biopsy tissue specimens and shows the usefulness of high frequency ultrasound for the new biopsy related technique. Ultrasound echoes of ex-vivo breast biopsy tissue specimens were acquired by using a single-element transducer with a bandwidth from 41 MHz to 88 MHz utilizing a UBM methodology, and the backscattering coefficients were calculated. These values as well as B-mode image data were mapped in 2D and matched with each pathology image for the identification of tissue type for the comparison to the pathology images corresponding to each plane. Microcalcifications were significantly distinguished from normal tissue. Adenocarcinoma was also successfully differentiated from adipose tissue. These results indicate that backscattering analysis is able to quantitatively distinguish tissues into normal and abnormal, which should help radiologists locate abnormal areas during the proposed ultrasound-guided breast biopsy with high frequency ultrasound.

  17. A correlative approach to segmenting phases and ferrite morphologies in transformation-induced plasticity steel using electron back-scattering diffraction and energy dispersive X-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Gazder, Azdiar A., E-mail: azdiar@uow.edu.au [Electron Microscopy Centre, University of Wollongong, New South Wales 2500 (Australia); Al-Harbi, Fayez; Spanke, Hendrik Th. [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, New South Wales 2522 (Australia); Mitchell, David R.G. [Electron Microscopy Centre, University of Wollongong, New South Wales 2500 (Australia); Pereloma, Elena V. [Electron Microscopy Centre, University of Wollongong, New South Wales 2500 (Australia); School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, New South Wales 2522 (Australia)

    2014-12-15

    Using a combination of electron back-scattering diffraction and energy dispersive X-ray spectroscopy data, a segmentation procedure was developed to comprehensively distinguish austenite, martensite, polygonal ferrite, ferrite in granular bainite and bainitic ferrite laths in a thermo-mechanically processed low-Si, high-Al transformation-induced plasticity steel. The efficacy of the ferrite morphologies segmentation procedure was verified by transmission electron microscopy. The variation in carbon content between the ferrite in granular bainite and bainitic ferrite laths was explained on the basis of carbon partitioning during their growth. - Highlights: • Multi-condition segmentation of austenite, martensite, polygonal ferrite and ferrite in bainite. • Ferrites in granular bainite and bainitic ferrite segmented by variation in relative carbon counts. • Carbon partitioning during growth explains variation in carbon content of ferrites in bainites. • Developed EBSD image processing tools can be applied to the microstructures of a variety of alloys. • EBSD-based segmentation procedure verified by correlative TEM results.

  18. Effect of Welding Heat Input on Microstructure and Texture of Inconel 625 Weld Overlay Studied Using the Electron Backscatter Diffraction Method

    Science.gov (United States)

    Kim, Joon-Suk; Lee, Hae-Woo

    2016-12-01

    The grain size and the texture of three specimens prepared at different heat inputs were determined using optical microscopy and the electron backscatter diffraction method of scanning electron microscopy. Each specimen was equally divided into fusion line zone (FLZ), columnar dendrite zone (CDZ), and surface zone (SZ), according to the location of the weld. Fine dendrites were observed in the FLZ, coarse dendrites in the CDZ, and dendrites grew perpendicular to the FLZ and CDZ. As the heat input increased, the melted zone in the vicinity of the FLZ widened due to the higher Fe content. A lower image quality value was observed for the FLZ compared to the other zones. The results of grain size measurement in each zone showed that the grain size of the SZ became larger as the heat input increased. From the inverse pole figure (IPF) map in the normal direction (ND) and the rolling direction (RD), as the heat input increased, a specific orientation was formed. However, a dominant [001] direction was observed in the RD IPF map.

  19. Infrared reflectometry of skin: Analysis of backscattered light from different skin layers

    Science.gov (United States)

    Pleitez, Miguel A.; Hertzberg, Otto; Bauer, Alexander; Lieblein, Tobias; Glasmacher, Mathias; Tholl, Hans; Mäntele, Werner

    2017-09-01

    We have recently reported infrared spectroscopy of human skin in vivo using quantum cascade laser excitation and photoacoustic or photothermal detection for non-invasive glucose measurement . Here, we analyze the IR light diffusely reflected from skin layers for spectral contributions of glucose. Excitation of human skin by an external cavity tunable quantum cascade laser in the spectral region from 1000 to 1245 cm- 1, where glucose exhibits a fingerprint absorption, yields reflectance spectra with some contributions from glucose molecules. A simple three-layer model of skin was used to calculate the scattering intensities from the surface and from shallow and deeper layers using the Boltzmann radiation transfer equation. Backscattering of light at wavelengths around 10 μm from the living skin occurs mostly from the Stratum corneum top layers and the shallow layers of the living epidermis. The analysis of the polarization of the backscattered light confirms this calculation. Polarization is essentially unchanged; only a very small fraction (light is due to specular reflectance and to scattering from layers close to the surface. Diffusely reflected light from deeper layers undergoing one or more scattering processes would appear with significantly altered polarization. We thus conclude that a non-invasive glucose measurement based on backscattering of IR light from skin would have the drawback that only shallow layers containing some glucose at concentrations only weakly related to blood glucose are monitored.

  20. Three-dimensional characterization of bainitic microstructures in low-carbon high-strength low-alloy steel studied by electron backscatter diffraction

    International Nuclear Information System (INIS)

    Kang, J.S.; Seol, Jae-Bok; Park, C.G.

    2013-01-01

    We investigated the microstructural evolution of high strength low alloy steel, Fe–2.0Mn–0.15Si–0.05C (wt.%), by varying the continuous cooling rates from 1 K/s to 50 K/s using three-dimensional electron backscatter diffraction and transmission electron microscopy. Granular bainitic microstructure was prevalent under a slow cooling rate of 1–10 K/s, while lath-type bainite was dominant at a high cooling rate of 50 K/s. The acicular ferrite that was the major microstructure under the intermediate ranges of cooling rates between 10 K/s and 30 K/s was tangled with each other, leading to a three-dimensional interwoven structure with highly misoriented grains. Because of the formation of three-dimensional structures, we propose that the terms “acicular ferrite” and “bainitic ferrite,” which are currently used in steel, be replaced by the terms “interwoven acicular bainite” and “lath bainite,” respectively. Moreover, we also confirmed that the cooling rate is an important factor in determining whether bainitic microstructures occur in the form of granular bainite, interwoven bainite, or lath bainite. - Highlights: • The morphology of bainitic grains was characterized by 3D-EBSD. • The ‘interwoven bainite’ and ‘lath bainite’ were suggested. • Interwoven bainite consisted of lenticular plates that were interlinked in 3D regime. • The packets of lath bainite were aligned in a specific direction

  1. Three-dimensional characterization of bainitic microstructures in low-carbon high-strength low-alloy steel studied by electron backscatter diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Kang, J.S. [Department of Materials Science and Engineering, POSTECH, Pohang 790-784 (Korea, Republic of); Technical Research Laboratories, POSCO, Pohang 790-300 (Korea, Republic of); Seol, Jae-Bok, E-mail: j.seol@mpie.de [Max-Planck-Institut für Eisenforschung, Max-Planck-Str. 1, D-40237 Düsseldorf (Germany); Park, C.G. [Department of Materials Science and Engineering, POSTECH, Pohang 790-784 (Korea, Republic of)

    2013-05-15

    We investigated the microstructural evolution of high strength low alloy steel, Fe–2.0Mn–0.15Si–0.05C (wt.%), by varying the continuous cooling rates from 1 K/s to 50 K/s using three-dimensional electron backscatter diffraction and transmission electron microscopy. Granular bainitic microstructure was prevalent under a slow cooling rate of 1–10 K/s, while lath-type bainite was dominant at a high cooling rate of 50 K/s. The acicular ferrite that was the major microstructure under the intermediate ranges of cooling rates between 10 K/s and 30 K/s was tangled with each other, leading to a three-dimensional interwoven structure with highly misoriented grains. Because of the formation of three-dimensional structures, we propose that the terms “acicular ferrite” and “bainitic ferrite,” which are currently used in steel, be replaced by the terms “interwoven acicular bainite” and “lath bainite,” respectively. Moreover, we also confirmed that the cooling rate is an important factor in determining whether bainitic microstructures occur in the form of granular bainite, interwoven bainite, or lath bainite. - Highlights: • The morphology of bainitic grains was characterized by 3D-EBSD. • The ‘interwoven bainite’ and ‘lath bainite’ were suggested. • Interwoven bainite consisted of lenticular plates that were interlinked in 3D regime. • The packets of lath bainite were aligned in a specific direction.

  2. Determining the sputter yields of molybdenum in low-index crystal planes via electron backscattered diffraction, focused ion beam and atomic force microscope

    Energy Technology Data Exchange (ETDEWEB)

    Huang, H.S., E-mail: 160184@mail.csc.com.tw [New Materials Research and Development Department, China Steel Corporation, 1 Chung Kang Road, Hsiao Kang, Kaohsiung 812, Taiwan, ROC (China); Chiu, C.H.; Hong, I.T.; Tung, H.C. [New Materials Research and Development Department, China Steel Corporation, 1 Chung Kang Road, Hsiao Kang, Kaohsiung 812, Taiwan, ROC (China); Chien, F.S.-S. [Department of Physics, Tunghai University, 1727, Sec. 4, Xitun Dist., Taiwan Boulevard, Taichung 407, Taiwan, ROC (China)

    2013-09-15

    Previous literature has used several monocrystalline sputtering targets with various crystalline planes, respectively, to investigate the variations of the sputter yield of materials in different crystalline orientations. This study presents a method to measure the sputtered yields of Mo for the three low-index planes (100), (110), and (111), through using an easily made polycrystalline target. The procedure was firstly to use electron backscattered diffraction to identify the grain positions of the three crystalline planes, and then use a focused ion beam to perform the micro-milling of each identified grain, and finally the sputter yields were calculated from the removed volumes, which were measured by atomic force microscope. Experimental results showed that the sputter yield of the primary orientations for Mo varied as Y{sub (110)} > Y{sub (100)} > Y{sub (111)}, coincidental with the ranking of their planar atomic packing densities. The concept of transparency of ion in the crystalline substance was applied to elucidate these results. In addition, the result of (110) orientation exhibiting higher sputter yield is helpful for us to develop a Mo target with a higher deposition rate for use in industry. By changing the deformation process from straight rolling to cross rolling, the (110) texture intensity of the Mo target was significantly improved, and thus enhanced the deposition rate. - Highlights: • We used EBSD, FIB and AFM to measure the sputter yields of Mo in low-index planes. • The sputter yield of the primary orientations for Mo varied as Y{sub (110)} > Y{sub (100)} > Y{sub (111)}. • The transparency of ion was used to elucidate the differences in the sputter yield. • We improved the sputter rate of polycrystalline Mo target by adjusting its texture.

  3. Materials analysis by ion backscattering and channeling. Materials modification by ion irradiation and implementation

    International Nuclear Information System (INIS)

    Meyer, O.

    1984-08-01

    A description will be given of the basic processes occuring during ion implantation and ion beam analyses. The usefulness of the backscattering and channeling technique is demonstrated by a discussion of the applications to thin film analysis, studies of diffusion and reactions in thin films, lattice location investigations, disorder analysis and surface studies. Ion implantation is a valuable research tool in metallurgy. The process operates very far from equilibrium conditions and thus will influence near surface properties in a unique way. The observed modifications are related to special microscopic structures which will be considered in detail. (orig.) [de

  4. Quantitative measurement of phase variation amplitude of ultrasonic diffraction grating based on diffraction spectral analysis

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Meiyan, E-mail: yphantomohive@gmail.com; Zeng, Yingzhi; Huang, Zuohua, E-mail: zuohuah@163.com [Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou, Guangdong 510006 (China)

    2014-09-15

    A new method based on diffraction spectral analysis is proposed for the quantitative measurement of the phase variation amplitude of an ultrasonic diffraction grating. For a traveling wave, the phase variation amplitude of the grating depends on the intensity of the zeroth- and first-order diffraction waves. By contrast, for a standing wave, this amplitude depends on the intensity of the zeroth-, first-, and second-order diffraction waves. The proposed method is verified experimentally. The measured phase variation amplitude ranges from 0 to 2π, with a relative error of approximately 5%. A nearly linear relation exists between the phase variation amplitude and driving voltage. Our proposed method can also be applied to ordinary sinusoidal phase grating.

  5. Holographic analysis of diffraction structure factors

    International Nuclear Information System (INIS)

    Marchesini, S.; Bucher, J.J.; Shuh, D.K.; Fabris, L.; Press, M.J.; West, M.W.; Hussain, Z.; Mannella, N.; Fadley, C.S.; Van Hove, M.A.; Stolte, W.C.

    2002-01-01

    We combine the theory of inside-source/inside-detector x-ray fluorescence holography and Kossel lines/ x ray standing waves in kinematic approximation to directly obtain the phases of the diffraction structure factors. The influence of Kossel lines and standing waves on holography is also discussed. We obtain partial phase determination from experimental data obtaining the sign of the real part of the structure factor for several reciprocal lattice vectors of a vanadium crystal

  6. Compositional analysis of silicon nitride films on Si and GaAs by backscattering spectrometry and nuclear resonance reaction analysis

    International Nuclear Information System (INIS)

    Kumar, Sanjiv; Raju, V.S.

    2004-01-01

    This paper describes the application of proton and α-backscattering spectrometry for the determination of atomic ratio of Si to N in 1100-5000 A silicon nitride films on Si and GaAs. The conventional α-Rutherford backscattering spectrometry is suitable for the analysis of films on Si; it is rather inadequate for films on GaAs due to higher background from the substrate. It is shown that these films can be analysed by 14 N(α,α) 14 N scattering with 3.5 MeV α-particles. Proton elastic scattering with enhanced cross sections for 28 Si(p,p) 28 Si and 14 N(p,p) 14 N scatterings, is also suitable for analysing films on GaAs. However, the analysis of films on Si by this technique is difficult due to interferences between the signals of Si from the film and the substrate. In addition, the hydrogen content in films is determined by 1 H( 19 F,αγ) 16 O nuclear reaction analysis using the resonance at 6.4 MeV. The combination of backscattering spectrometry with nuclear reaction analysis provides compositional analysis of ternary Si 1-(x+y) N x H y films

  7. Phasor analysis of binary diffraction gratings with different fill factors

    International Nuclear Information System (INIS)

    MartInez, Antonio; Sanchez-Lopez, Ma del Mar; Moreno, Ignacio

    2007-01-01

    In this work, we present a simple analysis of binary diffraction gratings with different slit widths relative to the grating period. The analysis is based on a simple phasor technique directly derived from the Huygens principle. By introducing a slit phasor and a grating phasor, the intensity of the diffracted orders and the grating's resolving power can be easily obtained without applying the usual Fourier transform operations required for these calculations. The proposed phasor technique is mathematically equivalent to the Fourier transform calculation of the diffraction order amplitude, and it can be useful to explain binary diffraction gratings in a simple manner in introductory physics courses. This theoretical analysis is illustrated with experimental results using a liquid crystal device to display diffraction gratings with different fill factors

  8. Phasor analysis of binary diffraction gratings with different fill factors

    Energy Technology Data Exchange (ETDEWEB)

    MartInez, Antonio [Departamento de Ciencia de Materiales, Optica y TecnologIa Electronica, Universidad Miguel Hernandez, 03202 Elche (Spain); Sanchez-Lopez, Ma del Mar [Instituto de BioingenierIa y Departamento de Fisica y Arquitectura de Computadores, Universidad Miguel Hernandez, 03202 Elche (Spain); Moreno, Ignacio [Departamento de Ciencia de Materiales, Optica y TecnologIa Electronica, Universidad Miguel Hernandez, 03202 Elche (Spain)

    2007-09-11

    In this work, we present a simple analysis of binary diffraction gratings with different slit widths relative to the grating period. The analysis is based on a simple phasor technique directly derived from the Huygens principle. By introducing a slit phasor and a grating phasor, the intensity of the diffracted orders and the grating's resolving power can be easily obtained without applying the usual Fourier transform operations required for these calculations. The proposed phasor technique is mathematically equivalent to the Fourier transform calculation of the diffraction order amplitude, and it can be useful to explain binary diffraction gratings in a simple manner in introductory physics courses. This theoretical analysis is illustrated with experimental results using a liquid crystal device to display diffraction gratings with different fill factors.

  9. Microstructural characterization and electron backscatter diffraction analysis across the welded interface of duplex stainless steel

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhiqiang; Jing, Hongyang [School of Materials Science and Engineering, Tianjin University, Tianjin 300350 (China); Tianjin Key Laboratory of Advanced Joining Technology, Tianjin 300350 (China); Xu, Lianyong, E-mail: xulianyong@tju.edu.cn [School of Materials Science and Engineering, Tianjin University, Tianjin 300350 (China); Tianjin Key Laboratory of Advanced Joining Technology, Tianjin 300350 (China); Han, Yongdian; Gao, Zhanqi; Zhao, Lei [School of Materials Science and Engineering, Tianjin University, Tianjin 300350 (China); Tianjin Key Laboratory of Advanced Joining Technology, Tianjin 300350 (China); Zhang, Jianli [Welding laboratory, Offshore Oil Engineering (Qing Dao) Company, Qing Dao 266520 (China)

    2017-08-15

    Highlights: • Apparent change in LTHAZ was the intergranular secondary austenite precipitation. • Ferrite in HAZ maintained same distribution as ferrite texture in base metal. • Different austenite in different zones showed different orientation with ferrite. • Ferrite and austenite grains exhibited different boundary characteristics. • Local deformations were generated in grain boundary and within deformed grain. - Abstract: The microstructural evolution, orientation relationships, boundary characteristics, grain type, local deformation, and microhardness across the welded interface of duplex stainless steel (DSS) were investigated. The DSS welded joint consisted of four typical zones: base metal (BM), low-temperature heat-affected zone (LTHAZ), high-temperature heat-affected zone (HTHAZ), and weld metal (WM). The apparent microstructural changes in the HTHAZ and LTHAZ were secondary austenite and Cr{sub 2}N precipitation. A modified cooperative precipitation mechanism of secondary austenite and Cr{sub 2}N at the interface was proposed. Furthermore, the ferrite in both the HTHAZ and LTHAZ maintained the same distribution as the ferrite texture in the BM, while this ferrite texture disappeared completely in the WM. Different austenite grains in the different zones exhibited different orientation relationships with the ferrite matrix. Special grain boundaries were mainly distributed between the austenite grains, while the ferrite grains primarily contained random grain boundaries. Austenite twins constituted the largest proportion of the special boundaries. The special austenite grain boundaries in the BM and LTHAZ were higher in relative frequency than those in the HTHAZ and WM. The ferrite grains in the HTHAZ and WM mainly consisted of substructured grains. In the BM, the recrystallization degree of ferrite was significantly lower than that of austenite grains. The local deformations were mainly generated in the grain boundaries and within the deformed grains. The HTHAZ exhibited the highest hardness, while the BM had the lowest hardness. The LTHAZ had a lower hardness than the HTHAZ and higher hardness than the BM.

  10. Microstructural characterization and electron backscatter diffraction analysis across the welded interface of duplex stainless steel

    Science.gov (United States)

    Zhang, Zhiqiang; Jing, Hongyang; Xu, Lianyong; Han, Yongdian; Gao, Zhanqi; Zhao, Lei; Zhang, Jianli

    2017-08-01

    The microstructural evolution, orientation relationships, boundary characteristics, grain type, local deformation, and microhardness across the welded interface of duplex stainless steel (DSS) were investigated. The DSS welded joint consisted of four typical zones: base metal (BM), low-temperature heat-affected zone (LTHAZ), high-temperature heat-affected zone (HTHAZ), and weld metal (WM). The apparent microstructural changes in the HTHAZ and LTHAZ were secondary austenite and Cr2N precipitation. A modified cooperative precipitation mechanism of secondary austenite and Cr2N at the interface was proposed. Furthermore, the ferrite in both the HTHAZ and LTHAZ maintained the same distribution as the ferrite texture in the BM, while this ferrite texture disappeared completely in the WM. Different austenite grains in the different zones exhibited different orientation relationships with the ferrite matrix. Special grain boundaries were mainly distributed between the austenite grains, while the ferrite grains primarily contained random grain boundaries. Austenite twins constituted the largest proportion of the special boundaries. The special austenite grain boundaries in the BM and LTHAZ were higher in relative frequency than those in the HTHAZ and WM. The ferrite grains in the HTHAZ and WM mainly consisted of substructured grains. In the BM, the recrystallization degree of ferrite was significantly lower than that of austenite grains. The local deformations were mainly generated in the grain boundaries and within the deformed grains. The HTHAZ exhibited the highest hardness, while the BM had the lowest hardness. The LTHAZ had a lower hardness than the HTHAZ and higher hardness than the BM.

  11. Two and three dimensional electron backscattered diffraction analysis of solid oxide cells materials

    DEFF Research Database (Denmark)

    Saowadee, Nath

    in solid oxide fuel cell and electrolysis cell. Conductivity of STN is one of the important properties that researchers desire to improve. Grin boundary conductivity contributes to the overall conductivity of the STN. Grain boundary density controlled by mainly grain growth in material processing. Grain......There are two main technique were developed in this work: a technique to calculate grain boundary energy and pressure and a technique to measure lattice constant from EBSD. The techniques were applied to Nb-doped Strontium titanate (STN) and yttria stabilized zirconia (YSZ) which are commonly used...... boundary migration in grain growth involves grain boundary mobility and net pressure on it. Thus grain boundary energy and pressure of STN were calculated in this work. Secondary phase is undesired in STN and YSZ synthesis. The secondary phase in ceramics with the same compounds can have different lattice...

  12. Analysis of Backscatter and Seafloor Acoustical Properties across deepwater sandwaves in Cook Strait, New Zealand

    Science.gov (United States)

    Lurton, X.; Lamarche, G.

    2011-12-01

    subdued topography, not detectable from the bathymetry data alone, are perfectly resolved thanks to the backscatter contrast. Other typical and very specific features found in Cook Strait are best described as blade-shaped dunes perpendicular to the strait's main axis. These dunes are up to 2 km in length with heights ranging 15-60 m. Erosional basins developed on both sides of their tips, resulting in "butterfly" patterns. These dunes appear either isolated or in small groups. Initially thought to be hard material crests as suggested by their geometry, these features proved, from BS analysis, to be actually made of soft sediment with a very low reflectivity at their top (around -40 dB/m2) contrasting by typically 20 dB with a high reflectivity level at their base, and especially inside the basins located at both ends. The dune flanks exhibit intermediate BS values, with systematically lower levels (by 5 dB) on their northern flanks. This difference suggests an asymmetrical effects of the sediment dynamics in this region, despite the alternating action of tidal currents, and may reflect a control of deep oceanographic global currents that usually flow eastward, i.e. from the Tasman Sea to the Pacific Ocean.

  13. Evaluation of suspended sediment concentrations, sediment fluxes and sediment depositions along a reservoir by using laser diffraction and acoustic backscatter data

    Science.gov (United States)

    Lizano, Laura; Haun, Stefan

    2015-04-01

    Costa Rica was investigated where huge depositions have been recorded since the reservoir was built. The SSC's were measured with a LISST-SL (Laser In-Situ Scattering and Transmissometry instrument) which is based on the laser diffraction method and measures simultaneously the SSC as well as the particle size distribution. The measured SSC's were subsequently used to calculate the sediment fluxes within the transects, based on the intensity of backscattered sound from an acoustic measurement device. The total amount of deposited sediments could be calculated from the sediment fluxes, obtained by moving ADCP measurements (Acoustic Doppler Current Profiler) along chosen transects and so an image of the amount of settled sediments could be drawn. The results of this study show the advantage of using two highly sophisticated measurement devices in parallel to receive accurate numbers for sediment fluxes within reservoirs, which can in addition be used in further studies to develop management strategies to reduce sediment depositions.

  14. Frequency analysis for modulation-enhanced powder diffraction.

    Science.gov (United States)

    Chernyshov, Dmitry; Dyadkin, Vadim; van Beek, Wouter; Urakawa, Atsushi

    2016-07-01

    Periodic modulation of external conditions on a crystalline sample with a consequent analysis of periodic diffraction response has been recently proposed as a tool to enhance experimental sensitivity for minor structural changes. Here the intensity distributions for both a linear and nonlinear structural response induced by a symmetric and periodic stimulus are analysed. The analysis is further extended for powder diffraction when an external perturbation changes not only the intensity of Bragg lines but also their positions. The derived results should serve as a basis for a quantitative modelling of modulation-enhanced diffraction data measured in real conditions.

  15. High-energy helium backscattering for the compositional analysis of thin-film oxide-superconductors

    International Nuclear Information System (INIS)

    Hubbard, K.M.; Martin, J.A.; Muenchausen, R.E.; Tesmer, J.R.; Nastasi, M.

    1989-01-01

    Recent experiments have demonstrated that the broad elastic-scattering resonance for 8.8 MeV helium bombardment of oxygen can be exploited to measure the oxygen content of YBaCuO thin films. A potential difficulty with such measurements is distortion of the backscattering spectrum due to resonant scattering from the substrate elements, which could prevent the accurate integration of peak areas. We have measured the elastic scattering cross sections for Sr and Ti, relative to Gd, with He ions in the energy range of 2.2--8.8 MeV, and a scattering angle of 166 degree. The results verify that resonant scattering from the substrate does not interfere with the high-energy compositional analysis of YBaCuO films deposited on SrTiO 3 . Scattering cross sections for Ca, measured relative to Ba, have also been determined for application to the analysis of BiSrCaCuO and TlCaBaCuO films. Because of resonant scattering from Ca at beam energies above 6 MeV, two backscattering measurements are required for these materials: one at 8.8 MeV to determine the O content, and one at or below 6 MeV to determine the Ca content. Anticipating a more general applicability of this technique to the analysis of metal-oxide films, data are also presented for a number of elements, as an empirical guideline, which give the beam energies above which scattering cross sections deviate from their Rutherford values, and must be determined experimentally. 10 refs., 6 figs., 4 tabs

  16. Application of the Rutherford backscattering analysis (RBS analysis) for detecting heavy impurity elements in pBN crucible materials

    International Nuclear Information System (INIS)

    Bethge, K.; Meyer, J.D.; Michelmann, R.; Krauskopf, J.

    1992-01-01

    By means of the Rutherford backscattering analysis evidence is given of an inhomogeneous depth distribution of the elements C, O, F, Na, Mg, Al, Si, P, S, Cl, Ca, Ti, Cr, Fe, Ni in pBN (pyrolytic boron nitride) materials of crucibles. This inhomogenous distribution is observed both at the original surface and at the surface of inner cracks. In addition, the distribution of the elements is found to differ depending on the spots chosen for analysis. The RBS measurements alone do not yield information on the volume concentration of the elements. (orig.) With 2 refs [de

  17. Artificial neural networks for automation of Rutherford backscattering spectroscopy experiments and data analysis

    International Nuclear Information System (INIS)

    Barradas, N.P.; Vieira, A.; Patricio, R.

    2002-01-01

    We present an algorithm based on artificial neural networks able to determine optimized experimental conditions for Rutherford backscattering measurements of Ge-implanted Si. The algorithm can be implemented for any other element implanted into a lighter substrate. It is foreseeable that the method developed in this work can be applied to still many other systems. The algorithm presented is a push-button black box, and does not require any human intervention. It is thus suited for automated control of an experimental setup, given an interface to the relevant hardware. Once the experimental conditions are optimized, the algorithm analyzes the final data obtained, and determines the desired parameters. The method is thus also suited for automated analysis of the data. The algorithm presented can be easily extended to other ion beam analysis techniques. Finally, it is suggested how the artificial neural networks required for automated control and analysis of experiments could be automatically generated. This would be suited for automated generation of the required computer code. Thus could RBS be done without experimentalists, data analysts, or programmers, with only technicians to keep the machines running

  18. Truncation in diffraction pattern analysis. Pt. 1

    International Nuclear Information System (INIS)

    Delhez, R.; Keijser, T.H. de; Mittemeijer, E.J.; Langford, J.I.

    1986-01-01

    An evaluation of the concept of a line profile is provoked by truncation of the range of intensity measurement in practice. The measured truncated line profile can be considered either as part of the total intensity distribution which peaks at or near the reciprocal-lattice points (approach 1), or as part of a component line profile which is confined to a single reciprocal-lattice point (approach 2). Some false conceptions in line-profile analysis can then be avoided and recipes can be developed for the extrapolation of the tails of the truncated line profile. Fourier analysis of line profiles, according to the first approach, implies a Fourier series development of the total intensity distribution defined within [l - 1/2, l + 1/2] (l indicates the node considered in reciprocal space); the second approach implies a Fourier transformation of the component line profile defined within [ - ∞, + ∞]. Exact descriptions of size broadening are provided by both approaches, whereas combined size and strain broadening can only be evaluated adequately within the first approach. Straightforward methods are given for obtaining truncation-corrected values for the average crystallite size. (orig.)

  19. Analysis of a nuclear backscattering and reaction data by the method of convolution integrals

    International Nuclear Information System (INIS)

    Lewis, M.B.

    1979-02-01

    A quantitative description of nuclear backscattering and reaction processes is made. Various formulas pertinent to nuclear microanalysis are assembled in a manner useful for experimental application. Convolution integrals relating profiles of atoms in a metal substrate to the nuclear reaction spectra obtained in the laboratory are described and computed. Energy straggling and multiple scattering are explicitly included and shown to be important. Examples of the application of the method to simple backscattering, oxide films, and implanted gas are discussed. 7 figures, 1 table

  20. Quantitative multiphase analysis of archaeological bronzes by neutron diffraction

    CERN Document Server

    Siano, S; Celli, M; Pini, R; Salimbeni, R; Zoppi, M; Kockelmann, W A; Iozzo, M; Miccio, M; Moze, O

    2002-01-01

    In this paper, we report the first investigation on the potentials of neutron diffraction to characterize archaeological bronze artifacts. The preliminary feasibility of phase and structural analysis was demonstrated on standardised specimens with a typical bronze alloy composition. These were realised through different hardening and annealing cycles, simulating possible ancient working techniques. The Bragg peak widths that resulted were strictly dependent on the working treatment, thus providing an important analytical element to investigate ancient making techniques. The diagnostic criteria developed on the standardised specimens were then applied to study two Etruscan museum pieces. Quantitative multiphase analysis by Rietveld refinement of the diffraction patterns was successfully demonstrated. Furthermore, the analysis of patterns associated with different artifact elements also yielded evidence for some peculiar perspective of the neutron diffraction diagnostics in archeometric applications. (orig.)

  1. Analysis of seafloor backscatter strength dependence on the survey azimuth using multibeam echosounder data

    Science.gov (United States)

    Lurton, Xavier; Eleftherakis, Dimitrios; Augustin, Jean-Marie

    2018-06-01

    The sediment backscatter strength measured by multibeam echosounders is a key feature for seafloor mapping either qualitative (image mosaics) or quantitative (extraction of classifying features). An important phenomenon, often underestimated, is the dependence of the backscatter level on the azimuth angle imposed by the survey line directions: strong level differences at varying azimuth can be observed in case of organized roughness of the seabed, usually caused by tide currents over sandy sediments. This paper presents a number of experimental results obtained from shallow-water cruises using a 300-kHz multibeam echosounder and specially dedicated to the study of this azimuthal effect, with a specific configuration of the survey strategy involving a systematic coverage of reference areas following "compass rose" patterns. The results show for some areas a very strong dependence of the backscatter level, up to about 10-dB differences at intermediate oblique angles, although the presence of these ripples cannot be observed directly—neither from the bathymetry data nor from the sonar image, due to the insufficient resolution capability of the sonar. An elementary modeling of backscattering from rippled interfaces explains and comforts these observations. The consequences of this backscatter dependence upon survey azimuth on the current strategies of backscatter data acquisition and exploitation are discussed.

  2. ATALANTA: a multicomponent pulsed neutron diffraction analysis code

    International Nuclear Information System (INIS)

    Benham, M.J.; Ross, D.K.

    1986-01-01

    The analysis of powder diffraction patterns from metal hydrogen systems present certain problems which have been addressed in a restructured profile analysis program. The heart of this program, ATALANTA, is a routine which locates and processes small sections of the data field to which a minimal number of Bragg peaks contribute intensity. The analysis of a three component test data set is presented in order to demonstrate the method. (author)

  3. Diffraction imaging and velocity analysis using oriented velocity continuation

    KAUST Repository

    Decker, Luke

    2014-08-05

    We perform seismic diffraction imaging and velocity analysis by separating diffractions from specular reflections and decomposing them into slope components. We image slope components using extrapolation in migration velocity in time-space-slope coordinates. The extrapolation is described by a convection-type partial differential equation and implemented efficiently in the Fourier domain. Synthetic and field data experiments show that the proposed algorithm is able to detect accurate time-migration velocities by automatically measuring the flatness of events in dip-angle gathers.

  4. Development of materials science by Ab initio powder diffraction analysis

    International Nuclear Information System (INIS)

    Fujii, Kotaro

    2015-01-01

    Crystal structure is most important information to understand properties and behavior of target materials. Technique to analyze unknown crystal structures from powder diffraction data (ab initio powder diffraction analysis) enables us to reveal crystal structures of target materials even we cannot obtain a single crystal. In the present article, three examples are introduced to show the power of this technique in the field of materials sciences. The first example is dehydration/hydration of the pharmaceutically relevant material erythrocycin A. In this example, crystal structures of two anhydrous phases were determined from synchrotron X-ray powder diffraction data and their different dehydration/hydration properties were understood from the crystal structures. In the second example, a crystal structure of a three dimensional metal-organic-framework prepared by a mechanochemical reaction was determined from laboratory X-ray powder diffraction data and the reaction scheme has been revealed. In the third example, a crystal structure of a novel oxide-ion conductor of a new structure family was determined from synchrotron X-ray and neutron powder diffraction data which gave an important information to understand the mechanism of the oxide-ion conduction. (author)

  5. Analysis of XFEL serial diffraction data from individual crystalline fibrils

    Directory of Open Access Journals (Sweden)

    David H. Wojtas

    2017-11-01

    Full Text Available Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. The advantages of this technique should allow structural studies of fibrous systems in biology that are inaccessible using existing techniques.

  6. A dedicated beam line for Rutherford backscattering analysis at IFIN-HH cyclotron

    International Nuclear Information System (INIS)

    Ivanov, E. A.; Dudu, D.; Plostinaru, D.; Catana, D.; Vata, I.

    2003-01-01

    Rutherford back-scattering technique (RBS) is an analytical tool that uses elastic scattering of 1-5 MeV charged particles for analysis of the surface and the outer few micrometers of solids. IFIN-HH RBS system consists of the U-120 Cyclotron, a dedicated beam line and a scattering chamber with sample manipulators and particle detectors. In our RBS system the samples are bombarded with 2-5 alpha particles accelerated by U-120 Cyclotron (in 3-rd subharmonic regime) while the scattered particles are detected by a surface barrier detector. The signal from the detector is processed by common nuclear electronics and the particle energy spectra are stored in a computer based multichannel analyser. The data evaluation is accomplished using standard procedures and computer codes. The necessary vacuum inside chamber is obtained with an oil-free turbo pump. The beam spot dimension on the target is 1x1 mm. The standard measurement are done at Θ = 165 angle. The samples are electrically insulated and can be rotated around a vertical axis. The advantage of the RBS technique lies in the quantitative analysis of major and minor constituents lying in the first 0.5 to 2.0 micrometers of a material. Depending on the sample structure and composition, the detection limits vary from 10 11 to 10 15 at. cm -2 for heavy and light elements, respectively. The depth distribution of constituents can be reconstructed with a depth resolution of 10-20 nm. The RBS technique is non-destructive since the erosion and the radiation degradation of the sample material by the particle impact is negligible. The most extensive use of the RBS technique is in the field of electronic and optical materials, special coatings and in the study of various physico-chemical processes on the solid surfaces. (authors)

  7. Full aperture backscatter signal analysis of laser with hohlraum on Shenguang II laser facility

    International Nuclear Information System (INIS)

    Jiao Chunye; Wang Feng; Liu Shenye; Jiang Xiaohua; Li Sanwei; Liu Yonggang; Yang Jiamin; Gu Yuqiu; Wang Chuanke

    2010-01-01

    Full aperture backscatter system and experimental measurement of hohlraum with 351 nm wavelength laser on Shenguang II laser facility is reported. FABS optical path has been analyzed and the backscattering light completely entered FABS collecting optical path. FABS existed the background light when the eight beams symmetrically acted on hohlraum. The background light is composed of 526.5 nm and 1053 nm wavelength remains while the 1053 nm wavelength changes into 351 nm wavelength, according to records of laser sensitive paper and optical filter. The background light accounts for 15% of FABS energy from experimental measurement result. (authors)

  8. A program for Warren-Averbach analysis of diffraction data

    International Nuclear Information System (INIS)

    Fan, Zhijian; Chen, Bo; Chen, Xiping

    2009-04-01

    X-ray or neutron diffraction experiment can provide microstructural information of crystalline materials. At the moment without the model of micro-structure, Warren-Averbach analysis is regarded as an important tool. For this purpose, a program of Warren-Averbach analysis has been developed. The pro- gram has nearly all basic functions, it can be conveniently used through a graphic user interface as well. In the end, the efficiency of the program is illustrated by an example of ceria. (authors)

  9. Profile analysis of neutron powder diffraction data at ISIS

    International Nuclear Information System (INIS)

    David, W.I.F.; Ibberson, R.M.; Matthewman, J.C.

    1992-05-01

    The aim of this manual is to document the current suite of time-of-flight neutron powder diffraction profile refinement programs available to ISIS users. Aspects of data collation and normalisation specific to the individual diffraction instruments are dealt with elsewhere. It will be assumed the user has produced a suitable data file (.DAT file) containing the profile data consisting of point by point values of the corrected diffraction profile across the pattern. The analysis of neutron powder diffraction data at ISIS by profile refinement utilises a suite of ''in-house'' written and supported programs based on the Cambridge Crystallography Subroutine Library (CCSL). A quick scan through the CCSL manual will give the user a general feel for the procedure to adopt in the use of the library and hence of the profile codes. The instructions documented in this handbook are complementary to those in the more specialist CCSL manual, and consequently go into no great detail regarding technical details of any of the CCSL routines. The programs may be run from each individual user account, for example [USER01], once the appropriate login procedure has been set-up by the instrument scientists. The programs are mostly activated by one line commands and only a basic knowledge of a VAX editor should be required; details can be found in the ''VAX primer'' available from Computer Support. (Author)

  10. Quantitative study of Portland cement hydration by X-ray diffraction/Rietveld analysis and independent methods

    International Nuclear Information System (INIS)

    Scrivener, K.L.; Fuellmann, T.; Gallucci, E.; Walenta, G.; Bermejo, E.

    2004-01-01

    X-ray diffraction (XRD) is a powerful technique for the study of crystalline materials. The technique of Rietveld refinement now enables the amounts of different phases in anhydrous cementitious materials to be determined to a good degree of precision. This paper describes the extension of this technique to a pilot study of the hydration of a typical Portland cement. To validate this XRD-Rietveld analysis technique, its results were compared with independent measures of the same materials by the analysis of backscattered electron images (BSE/IA) and thermogravimetric analysis (TGA). In addition, the internal consistency of the measurements was studied by comparing the XRD estimates of the amounts of hydrates formed with the amounts expected to form from the XRD estimates of the amounts of anhydrous materials reacted

  11. Analysis of tin-ore samples by the ratio of Rayleigh to Compton backscattering

    International Nuclear Information System (INIS)

    Ao Qi; Cao Liguo; Ding Yimin

    1990-01-01

    The relationship between the ratio of gamma-ray Rayleigh to Compton backscattering intensities (R/C) and the weight fraction of heavy element in light matrixes were investigated. An improved (R/C) eff analytical technique for tin-ore samples was described. The technique can be regarded as a substitute for the XRF method in which the self-absorption process worsens the analytical accuracy of heavy elements

  12. Characterization of gold nanoparticle films: Rutherford backscattering spectroscopy, scanning electron microscopy with image analysis, and atomic force microscopy

    Directory of Open Access Journals (Sweden)

    Pia C. Lansåker

    2014-10-01

    Full Text Available Gold nanoparticle films are of interest in several branches of science and technology, and accurate sample characterization is needed but technically demanding. We prepared such films by DC magnetron sputtering and recorded their mass thickness by Rutherford backscattering spectroscopy. The geometric thickness dg—from the substrate to the tops of the nanoparticles—was obtained by scanning electron microscopy (SEM combined with image analysis as well as by atomic force microscopy (AFM. The various techniques yielded an internally consistent characterization of the films. In particular, very similar results for dg were obtained by SEM with image analysis and by AFM.

  13. Analysis of dose and risk associated with the use of backscatter vans

    International Nuclear Information System (INIS)

    Correa, Samanda C.A.; Aquino, Josilto O.; Silva, Ademir X.

    2011-01-01

    In recent years, imaging technology using radiation has been gaining in importance for the screening of persons for security reasons and in order to detect contraband. And currently, new X-ray detection technologies have been introduced such as the Backscatter Van. The Backscatter Van is used in port and border security, force protection, urban surveillance, and other critical security applications in order to seize drugs, explosives, and more. The system is mobile, affordable and the faster, more effective, and less expensive than any mobile screening solution in the marketplace. However, although the application of this equipment in the national security area is indeed relevant, its use has caused a great deal of controversy, especially with regard to the doses absorbed and to the cancer induction risk associated with these exposures. The aim of this study is to use the Monte Carlo MCNPX code and the male adult voxel (MAX) and female adult voxel (FAX) phantoms, to evaluate the absorbed dose, effective dose and cancer induction risk values associated with the exposures of individuals submitted to Backscatter Van. The effective dose values were calculated as recommended by the new ICRP 103 and the cancer induction risk values were estimated through the BEIR VII document. (author)

  14. Analysis of dose and risk associated with the use of backscatter vans

    Energy Technology Data Exchange (ETDEWEB)

    Correa, Samanda C.A.; Aquino, Josilto O., E-mail: scorrea@cnen.gov.b, E-mail: josilto@cnen.gov.b [Comissao Nacional de Energia Nuclear (DIAPI/CGMI/CNEN), Rio de Janeiro, RJ (Brazil). Coordenacao Geral de Instalacoes Medicas e Industriais. Div. de Aplicacoes Industriais; Souza, Edmilson M., E-mail: emonteiro@nuclear.ufrj.b [Centro Universitario Estadual da Zona Oeste (CAPI/UEZO), Rio de Janeiro, RJ (Brazil); Silva, Ademir X., E-mail: ademir@con.ufrj.b [Coordenacao dos Programas de Pos-Graduacao de Engenharia (PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Nuclear

    2011-07-01

    In recent years, imaging technology using radiation has been gaining in importance for the screening of persons for security reasons and in order to detect contraband. And currently, new X-ray detection technologies have been introduced such as the Backscatter Van. The Backscatter Van is used in port and border security, force protection, urban surveillance, and other critical security applications in order to seize drugs, explosives, and more. The system is mobile, affordable and the faster, more effective, and less expensive than any mobile screening solution in the marketplace. However, although the application of this equipment in the national security area is indeed relevant, its use has caused a great deal of controversy, especially with regard to the doses absorbed and to the cancer induction risk associated with these exposures. The aim of this study is to use the Monte Carlo MCNPX code and the male adult voxel (MAX) and female adult voxel (FAX) phantoms, to evaluate the absorbed dose, effective dose and cancer induction risk values associated with the exposures of individuals submitted to Backscatter Van. The effective dose values were calculated as recommended by the new ICRP 103 and the cancer induction risk values were estimated through the BEIR VII document. (author)

  15. Fourier-Based Diffraction Analysis of Live Caenorhabditis elegans.

    Science.gov (United States)

    Magnes, Jenny; Hastings, Harold M; Raley-Susman, Kathleen M; Alivisatos, Clara; Warner, Adam; Hulsey-Vincent, Miranda

    2017-09-13

    This manuscript describes how to classify nematodes using temporal far-field diffraction signatures. A single C. elegans is suspended in a water column inside an optical cuvette. A 632 nm continuous wave HeNe laser is directed through the cuvette using front surface mirrors. A significant distance of at least 20-30 cm traveled after the light passes through the cuvette ensures a useful far-field (Fraunhofer) diffraction pattern. The diffraction pattern changes in real time as the nematode swims within the laser beam. The photodiode is placed off-center in the diffraction pattern. The voltage signal from the photodiode is observed in real time and recorded using a digital oscilloscope. This process is repeated for 139 wild type and 108 "roller" C. elegans. Wild type worms exhibit a rapid oscillation pattern in solution. The "roller" worms have a mutation in a key component of the cuticle that interferes with smooth locomotion. Time intervals that are not free of saturation and inactivity are discarded. It is practical to divide each average by its maximum to compare relative intensities. The signal for each worm is Fourier transformed so that the frequency pattern for each worm emerges. The signal for each type of worm is averaged. The averaged Fourier spectra for the wild type and the "roller" C. elegans are distinctly different and reveal that the dynamic worm shapes of the two different worm strains can be distinguished using Fourier analysis. The Fourier spectra of each worm strain match an approximate model using two different binary worm shapes that correspond to locomotory moments. The envelope of the averaged frequency distribution for actual and modeled worms confirms the model matches the data. This method can serve as a baseline for Fourier analysis for many microscopic species, as every microorganism will have its unique Fourier spectrum.

  16. Abiotic versus biotic iron mineral transformation studied by a miniaturized backscattering Mössbauer spectrometer (MIMOS II), X-ray diffraction and Raman spectroscopy

    Science.gov (United States)

    Markovski, C.; Byrne, J. M.; Lalla, E.; Lozano-Gorrín, A. D.; Klingelhöfer, G.; Rull, F.; Kappler, A.; Hoffmann, T.; Schröder, C.

    2017-11-01

    Searching for biomarkers or signatures of microbial transformations of minerals is a critical aspect for determining how life evolved on Earth, and whether or not life may have existed in other planets, including Mars. In order to solve such questions, several missions to Mars have sought to determine the geochemistry and mineralogy on the Martian surface. This research includes the two miniaturized Mössbauer spectrometers (MIMOS II) on board the Mars Exploration Rovers Spirit and Opportunity, which have detected a variety of iron minerals on Mars, including magnetite (Fe2+Fe3+2O4) and goethite (α-FeO(OH)). On Earth, both minerals can derive from microbiological activity (e.g. through dissimilatory iron reduction of ferrihydrite by Fe(III)-reducing bacteria). Here we used a lab based MIMOS II to characterize the mineral products of biogenic transformations of ferrihydrite to magnetite by the Fe(III)-reducing bacteria Geobacter sulfurreducens. In combination with Raman spectroscopy and X-ray diffraction (XRD), we observed the formation of magnetite, goethite and siderite. We compared the material produced by biogenic transformations to abiotic samples in order to distinguish abiotic and biotic iron minerals by techniques that are or will be available onboard Martian based laboratories. The results showed the possibility to distinguish the abiotic and biotic origin of the minerals. Mossbauer was able to distinguish the biotic/abiotic magnetite with the interpretation of the geological context (Fe content mineral assemblages and accompanying minerals) and the estimation of the particle size in a non-destructive way. The Raman was able to confirm the biotic/abiotic principal peaks of the magnetite, as well as the organic principal vibration bands attributed to the bacteria. Finally, the XRD confirmed the particle size and mineralogy.

  17. Application of Rutherford backscattering and nuclear reaction analysis techniques for investigation of thin films

    International Nuclear Information System (INIS)

    Kiss, A.Z.; Simon, A.; Elekes, Z.; Ditroi, F.; Meszaros, S.; Beke, D.L.; Langer, G.A.; Daroczy, L.

    2002-01-01

    A study of the intermixing of the elements in amorphous Si-Ge multilayers have been carried out using Rutherford backscattering Spectrometry (RBS) technique. Interdiffusion coefficient was determined by measuring the intensity of the first Ge peak (having best depth resolution) in the RBS spectrum as a function of annealing time. The oxygen content of the multilayer was measured by the resonance elastic scattering method in co-operation with Dubna. A cross comparison of multilayered films were performed between the laboratories in Debrecen, Dubna, Albany and Dhaka. An essay to determine the nitrogen content of CVD diamond by the deuteron induced gamma ray emission method has been done. (author)

  18. Time evolution analysis of the electron distribution in Thomson/Compton back-scattering

    International Nuclear Information System (INIS)

    Petrillo, V.; Bacci, A.; Curatolo, C.; Maroli, C.; Serafini, L.; Rossi, A. R.

    2013-01-01

    We present the time evolution of the energy distribution of a relativistic electron beam after the Compton back-scattering with a counter-propagating laser field, performed in the framework of the Quantum Electrodynamics, by means of the code CAIN. As the correct angular distribution of the spontaneous emission is accounted, the main effect is the formation of few stripes, followed by the diffusion of the more energetic particles toward lower values in the longitudinal phase space. The Chapman-Kolmogorov master equation gives results in striking agreement with the numerical ones. An experiment on the Thomson source at SPARC-LAB is proposed

  19. Backscattering analysis of AuGe-Ni ohmic contacts of n-GaAs

    International Nuclear Information System (INIS)

    Nassibian, A.G.; Kalkur, T.S.; Sutherland, G.J.; Cohen, D.

    1985-01-01

    AuGe-Ni is widely used for the fabrication of ohmic contacts to n-GaAs. The alloying behaviour of evaporated AuGe-Ni alloyed by furnace and Scanning Electron Beam, is characterised by Rutherford backscattering with 2MeV 4 He ions. Since the formation of alloyed AuGe-Ni contacts involves redistribution and diffusion of Ga, As, Ni, Ge and Au, it is difficult to separate the corresponding yields due to gold, Ga As, Ni and Ge in the spectrum. The technique used in the investigation involves assumption of depth distribution of elements and computing the resultant spectrum

  20. Analysis of alloys and salt solutions by 'beta'-ray back-scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bahadur, A; Maji, K D; Kumar, R [National Metallurgical Lab., Jamshedpur (India)

    1975-07-01

    This investigation reports the results of a study undertaken to assess the suitability of using the GM counter for measuring the intensity of ..beta..-backscattered radiation to determine the chemical composition of binary solid alloys, and aqueous salt solutions containing a metallic radical. The results indicate that the technique is not suitable for the determination of the composition of binary alloys since the error is in the range of 1.2 to 2.3 wt-% metal. The technique can be conveniently adapted for aqueous salt solutions where the maximum error is approximately 0.2 wt-% metal for metallic elements with atomic number greater than 20.

  1. Detailed analysis of the resonant backscattering spectrum for deeply penetrating protons in carbon

    International Nuclear Information System (INIS)

    Tosaki, Mitsuo; Ito, Shin; Maeda, Nobuhiro

    2000-01-01

    In order to study the spectral response in Rutherford backscattering spectroscopy (RBS) for deeply penetrating ions in matter, the resonant backscattering spectra for 5.05-, 5.5- and 6.0-MeV proton incidence on solid carbon material have been measured at a scattering angle of 179.2 deg. (in lab.). Prominent peaks resulting from the sharp 4.8-MeV resonance in 12 C(p,p) 12 C nuclear elastic scattering are observed, even for a penetration depth of 79 μm. Detailed numerical calculations based on an algorithm of straightforward step-by-step evaluation have been made to simulate the observed spectra. The algorithm enables one to rigorously treat both the effect of sharp resonance structure and that of energy-dependent energy loss. Calculations with the SIMNRA code are also made. Through comparison of these calculations with the measured results, some conclusions on the two effects above are presented. In addition, it is demonstrated that the peak profile due to a sharp resonance is very sensitive to the degree of energy straggling

  2. Analysis and interpretation of diffraction data from complex, anisotropic materials

    Science.gov (United States)

    Tutuncu, Goknur

    Most materials are elastically anisotropic and exhibit additional anisotropy beyond elastic deformation. For instance, in ferroelectric materials the main inelastic deformation mode is via domains, which are highly anisotropic crystallographic features. To quantify this anisotropy of ferroelectrics, advanced X-ray and neutron diffraction methods were employed. Extensive sets of data were collected from tetragonal BaTiO3, PZT and other ferroelectric ceramics. Data analysis was challenging due to the complex constitutive behavior of these materials. To quantify the elastic strain and texture evolution in ferroelectrics under loading, a number of data analysis techniques such as the single peak and Rietveld methods were used and their advantages and disadvantages compared. It was observed that the single peak analysis fails at low peak intensities especially after domain switching while the Rietveld method does not account for lattice strain anisotropy although it overcomes the low intensity problem via whole pattern analysis. To better account for strain anisotropy the constant stress (Reuss) approximation was employed within the Rietveld method and new formulations to estimate lattice strain were proposed. Along the way, new approaches for handling highly anisotropic lattice strain data were also developed and applied. All of the ceramics studied exhibited significant changes in their crystallographic texture after loading indicating non-180° domain switching. For a full interpretation of domain switching the spherical harmonics method was employed in Rietveld. A procedure for simultaneous refinement of multiple data sets was established for a complete texture analysis. To further interpret diffraction data, a solid mechanics model based on the self-consistent approach was used in calculating lattice strain and texture evolution during the loading of a polycrystalline ferroelectric. The model estimates both the macroscopic average response of a specimen and its hkl

  3. X-ray diffraction analysis of InAs nanowires

    International Nuclear Information System (INIS)

    Davydok, Anton

    2013-01-01

    Semiconductor nanowires have attracted great interest as building blocks for future electronic and optoelectronic devices. The variability of the growth process opens the opportunity to control and combine the various properties tailoring for specific application. It was shown that the electrical and optical characteristics of the nanowires are strongly connected with their structure. Despite intensive research in this field, the growth process is still not fully understood. In particular, extensive real structure investigations are required. Most of the reports dedicated on the structural researches are based on the results of scanning electron microscopy (SEM) or transmission electron microscopy (TEM). SEM provides an image of the surface with nanostructures and is mainly used to describe the morphology of the sample, but it does not bring information about the internal structure, phase composition and defect structure. At the same time, the internal structure can be examined by TEM down to atomic scale. TEM image of good quality are very expensive due to the efforts in sample preparation and in localisation of a single object. All these aspects make the statistical structural analysis difficult. In the present work, X-ray diffraction analysis has been applied for structural investigation of InAs nanowires grown by different techniques. Using various X-ray diffraction geometries, the nanowire systems were investigated in terms of the lattice parameters, phase composition, strains and displacement fields and stacking defects. In particular, realizing grazing incidence diffraction and controlling the penetration depth of X-ray beam, we characterized sample series grown by Au-assisted metal organic phase epitaxy on GaAs [111]B substrate with different growth time. According to the results of SEM and X-ray investigations, a model of the growth process has been proposed. A more detailed analysis was performed on InAs nanowires grown by molecular beam epitaxy (MBE) on

  4. Quantitative analysis of the energy distributions of electrons backscattered elastically from polyethylene

    International Nuclear Information System (INIS)

    Tőkési, K.; Varga, D.; Berényi, Z.

    2015-01-01

    We present results of theoretical and experimental studies of the spectra of electrons backscattered elastically from polyethylene in the primary energy range between 1 and 5 keV. The experiments were performed using a high energy resolution electron spectroscopy. The theoretical interpretation is based on a Monte Carlo simulation of the recoil and Doppler effects. The separation between the carbon and hydrogen peak in the energy distributions is shown as a function of the primary electron energy. The simulations give many partial distributions separately, depending on the number of elastic scatterings (single, and multiple scatterings of different types). We show our results for intensity ratios, peak shifts and broadenings. We also present detailed analytical calculations for the main parameters of a single scattering. Finally, we present a qualitative comparison with the experimental data. We find our resulting energy distribution of elastically scattered electrons to be in good agreement with our measurements

  5. Diffraction stress analysis of thin films; investigating elastic grain interaction

    International Nuclear Information System (INIS)

    Kumar, A.

    2005-12-01

    This work is dedicated to the investigation of specimens exhibiting anisotropic microstructures (and thus macroscopic elastic anisotropy) and/or inhomogeneous microstructures, as met near surfaces and in textured materials. The following aspects are covered: (i) Analysis of specimens with direction-dependent (anisotropic) elastic grain-interaction. Elastic grain-interaction determines the distribution of stresses and strains over the (crystallographically) differently oriented grains of a mechanically stressed polycrystal and the mechanical and diffraction (X-ray) elastic constants (relating (diffraction) lattice strains to mechanical stresses). Grain interaction models that allow for anisotropic, direction-dependent grain interaction have been developed very recently. The notion 'direction-dependent' grain-interaction signifies that different grain-interaction constraints prevail along different directions in a specimen. Practical examples of direction-dependent grain interaction are the occurrence of surface anisotropy in thin films and the surface regions of bulk polycrystals and the occurrence of grain-shape (morphological) texture. In this work, for the first time, stress analyses of thin films have been performed on the basis of these newly developed grain-interaction models. It has also been demonstrated that the identification of the (dominant) source of direction-dependent grain interaction is possible. The results for the grain interaction have been discussed in the light of microstructural investigations of the specimens by microscopic techniques. (ii) Analysis of specimens with depth gradients: Diffraction stress analysis can be hindered if gradients of the stress state, the composition or the microstructure occur in the specimen under investigation, as the so-called information depth varies in the course of a traditional stress measurement: Ambiguous results are thus generally obtained. In this work, a strategy for stress measurements at fixed

  6. X-ray Microprobe for Fluorescence and Diffraction Analysis

    International Nuclear Information System (INIS)

    Ice, G.E.

    2005-01-01

    X-ray diffraction (see unit 1.1) and x-ray excited fluorescence analysis are powerful techniques for the nondestructive measurement of crystal structure and chemical composition. X-ray fluorescence analysis is inherently nondestructive with orders of magnitude lower power deposited for the same detectable limit as with fluorescence excited by charged particle probes (Sparks, 1980). X-ray diffraction analysis is sensitive to crystal structure with orders-of-magnitude greater sensitivity to crystallographic strain than electron probes (Rebonato, et al. 1989). When a small-area x-ray microbeam is used as the probe, chemical composition (Z>14), crystal structure, crystalline texture, and crystalline strain distributions can be determined. These distributions can be studied both at the surface of the sample and deep within the sample (Fig. 1). Current state-of-the-art can achieve an ∼1 mm-D x-ray microprobe and an ∼0.1 mm-D x-ray microprobe has been demonstrated (Bilderback, et al., 1994). Despite their great chemical and crystallographic sensitivities, x-ray microprobe techniques have until recently been restricted by inefficient x-ray focusing optics and weak x-ray sources; x-ray microbeam analysis was largely superseded by electron techniques in the 50's. However, interest in x-ray microprobe techniques has now been revived (Howells, et al., 1983; Ice and Sparks, 1984; Chevallier, et al., 1997; Riekel 1992; Thompson, el al., 1992; and Making and Using... 1997) by the development of efficient x-ray focusing optics and ultra-high intensity synchrotron x-ray sources (Buras and Tazzari, 1984; Shenoy, et al., 1988). These advances have increased the achievable microbeam flux by more than 11 orders of magnitude (Fig. 2) (Ice, 1997); the flux in a tunable 1 mm-D beam on a 'so called' 3rd-generation synchrotron source such as the APS can exceed the flux in a fixed-energy mm2 beam on a conventional source. These advances make x-ray microfluorescence and x

  7. Soil texture analysis by laser diffraction - standardization needed

    DEFF Research Database (Denmark)

    Callesen, Ingeborg; Palviainen, M.; Kjønaas, O. Janne

    2017-01-01

    Soil texture is a central soil quality property. Laser diffraction (LD) for determination of particle size distribution (PSD) is now widespread due to easy analysis and low cost. However, pretreatment methods and interpretation of the resulting soil PSD’s are not standardized. Comparison of LD data...... with sedimentation and sieving data may cause misinterpretation and confusion. In literature that reports PSD’s based on LD, pretreatment methods, operating procedures and data methods are often underreported or not reported, although literature stressing the importance exists (e.g. Konert and Vandenberghe, 1997...... and many newer; ISO 13320:2009). PSD uncertainty caused by pretreatments and PSD bias caused by plate-shaped clay particles still calls for more method standardization work. If LD is used more generally, new pedotransfer functions for other soil properties (e.g water retention) based on sieving...

  8. False colour backscatter electron images and their application during electron microprobe analysis of ores and host rocks

    International Nuclear Information System (INIS)

    Cousens, D.R.; French, D.H.; Ramsden, A.R.

    1989-01-01

    The limited contrast range of conventional black and white imaging does not enable full use to be made of the dynamic range of the video signal obtained from a scanning electron microscope or microprobe. The use of false colour substantially increases the information that can be derived from such images enabling relationships to be displayed that cannot be observed in black and white. This capability is now used extensively in combination with quantitative electron microprobe analysis as a research tool for ore characterization and host rocks studies related to minerals exploration in the CSIRO Div.sion of Exploration Geoscience. Thus the CAMEBAX scanning electron microprobe has been modified to allow digital images acquisition and software (IMAGE) developed which allows false colour backscatter electron (BSE) images to be obtained during the course of routine electron microprobe analysis. 1 fig

  9. ATLAS - analysis of time-of-flight diffraction data from liquid and amorphous samples

    International Nuclear Information System (INIS)

    Soper, A.K.; Howells, W.S.; Hannon, A.C.

    1989-05-01

    The purpose of this manual is to describe a package of data analysis routines which have been developed at the Rutherford Appleton Laboratory for the analysis of time-of-flight diffraction data from liquids, gases, and amorphous materials. There is no fundamental barrier to diffraction data being accurately analysed to structure factor or even pair correlation function within a very short time of the completion of the experiment. Section 1 describes the time-of-flight neutron diffraction experiment and looks at diffraction theory. Section 2 indicates the steps in data analysis of time-of-flight diffraction data and Section 3 gives details of how to run the procedures. (author)

  10. Detection of geodesic acoustic mode oscillations, using multiple signal classification analysis of Doppler backscattering signal on Tore Supra

    International Nuclear Information System (INIS)

    Vermare, L.; Hennequin, P.; Gürcan, Ö.D.

    2012-01-01

    This paper presents the first observation of geodesic acoustic modes (GAMs) on Tore Supra plasmas. Using the Doppler backscattering system, the oscillations of the plasma flow velocity, localized between r/a = 0.85 and r/a = 0.95, and with a frequency, typically around 10 kHz, have been observed at the plasma edge in numerous discharges. When the additional heating power is varied, the frequency is found to scale with C s /R. The MUltiple SIgnal Classification (MUSIC) algorithm is employed to access the temporal evolution of the perpendicular velocity of density fluctuations. The method is presented in some detail, and is validated and compared against standard methods, such as the conventional fast Fourier transform method, using a synthetic signal. It stands out as a powerful data analysis method to follow the Doppler frequency with a high temporal resolution, which is important in order to extract the dynamics of GAMs. (paper)

  11. Qualitative analysis of powder x-ray diffraction data

    International Nuclear Information System (INIS)

    Raftery, T.

    1999-01-01

    Full text: The main task of qualitative analysis is the determination of the presence of major, minor and if practical trace phases in a sample. The attainment of this goal is dependent on the quality of alignment (line position and intensity) as well as quality of sample preparation. Identification is generally on the basis of structure and dependent on the use of reference patterns. There are inherent limitations to the use of reference patterns including lack of reference patterns for the phase of interest (rare), solid solutions or substitutions (likely) and poor quality of reference patterns (unusual). With multiphase samples, there are the added problems of line overlap or interference, determining minor or trace phases in the presence of major phases, the decrease of intensity with concentration and influence of mass absorption on intensities. Within multiphase samples there may be many phases, some of which are in low abundance. It is sometimes possible (and usually desirable) to fractionate the sample by some physical or chemical method (while attempting not to create new phases as a result). It is usually important and often critical to have available supplementary information about the sample - either chemical or physical, or a history of preparation or formation. A central issue is what constitutes a match. A match is an adequate accounting of the distribution of intensity in the diffraction pattern. The match can be thought of in terms of a sum of δ2θ (or δd/d) and/or δI/I ref , and the consistency with known information. The calculated measures give rise to the figures of merit (FOM) of search match programs. It must always be remembered that two compounds of the same space group and similar cell parameters (eg. FCC metals) are going to have very similar diffraction patterns - any search/match technique usually arrives at a stage where there is a list of possibilities that must be decided between. The range search-match techniques span manual

  12. A comparative analysis of UV nadir-backscatter and infrared limb-emission ozone data assimilation

    Directory of Open Access Journals (Sweden)

    R. Dragani

    2016-07-01

    Full Text Available This paper presents a comparative assessment of ultraviolet nadir-backscatter and infrared limb-emission ozone profile assimilation. The Meteorological Operational Satellite A (MetOp-A Global Ozone Monitoring Experiment 2 (GOME-2 nadir and the ENVISAT Michelson Interferometer for Passive Atmospheric Sounding (MIPAS limb profiles, generated by the ozone consortium of the European Space Agency Climate Change Initiative (ESA O3-CCI, were individually added to a reference set of ozone observations and assimilated in the European Centre for Medium-Range Weather Forecasts (ECMWF data assimilation system (DAS. The two sets of resulting analyses were compared with that from a control experiment, only constrained by the reference dataset, and independent, unassimilated observations. Comparisons with independent observations show that both datasets improve the stratospheric ozone distribution. The changes inferred by the limb-based observations are more localized and, in places, more important than those implied by the nadir profiles, albeit they have a much lower number of observations. A small degradation (up to 0.25 mg kg−1 for GOME-2 and 0.5 mg kg−1 for MIPAS in the mass mixing ratio is found in the tropics between 20 and 30 hPa. In the lowermost troposphere below its vertical coverage, the limb data are found to be able to modify the ozone distribution with changes as large as 60 %. Comparisons of the ozone analyses with sonde data show that at those levels the assimilation of GOME-2 leads to about 1 Dobson Unit (DU smaller root mean square error (RMSE than that of MIPAS. However, the assimilation of MIPAS can still improve the quality of the ozone analyses and – with a reduction in the RMSE of up to about 2 DU – outperform the control experiment thanks to its synergistic assimilation with total-column ozone data within the DAS. High vertical resolution ozone profile observations are essential to accurately monitor and

  13. Comparison of laser diffraction and image analysis for measurement of Streptomyces coelicolor cell clumps and pellets

    DEFF Research Database (Denmark)

    Rønnest, Nanna Petersen; Stocks, Stuart M; Eliasson Lantz, Anna

    2012-01-01

    and pellets of Streptomyces coelicolor compare to image analysis. Samples, taken five times during fed-batch cultivation, were analyzed by image analysis and laser diffraction. The volume-weighted size distribution was calculated for each sample. Laser diffraction and image analysis yielded similar size...

  14. Classification using diffraction patterns for single-particle analysis

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Hongli; Zhang, Kaiming [Department of Biophysics, the Health Science Centre, Peking University, Beijing 100191 (China); Meng, Xing, E-mail: xmeng101@gmail.com [Wadsworth Centre, New York State Department of Health, Albany, New York 12201 (United States)

    2016-05-15

    An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties. - Highlights: • New classification method. • Create the accurate initial model. • Better in handling noisy data.

  15. Classification using diffraction patterns for single-particle analysis

    International Nuclear Information System (INIS)

    Hu, Hongli; Zhang, Kaiming; Meng, Xing

    2016-01-01

    An alternative method has been assessed; diffraction patterns derived from the single particle data set were used to perform the first round of classification in creating the initial averages for proteins data with symmetrical morphology. The test protein set was a collection of Caenorhabditis elegans small heat shock protein 17 obtained by Cryo EM, which has a tetrahedral (12-fold) symmetry. It is demonstrated that the initial classification on diffraction patterns is workable as well as the real-space classification that is based on the phase contrast. The test results show that the information from diffraction patterns has the enough details to make the initial model faithful. The potential advantage using the alternative method is twofold, the ability to handle the sets with poor signal/noise or/and that break the symmetry properties. - Highlights: • New classification method. • Create the accurate initial model. • Better in handling noisy data.

  16. Advanced x-ray stress analysis method for a single crystal using different diffraction plane families

    International Nuclear Information System (INIS)

    Imafuku, Muneyuki; Suzuki, Hiroshi; Sueyoshi, Kazuyuki; Akita, Koichi; Ohya, Shin-ichi

    2008-01-01

    Generalized formula of the x-ray stress analysis for a single crystal with unknown stress-free lattice parameter was proposed. This method enables us to evaluate the plane stress states with any combination of diffraction planes. We can choose and combine the appropriate x-ray sources and diffraction plane families, depending on the sample orientation and the apparatus, whenever diffraction condition is satisfied. The analysis of plane stress distributions in an iron single crystal was demonstrated combining with the diffraction data for Fe{211} and Fe{310} plane families

  17. Fast and accurate focusing analysis of large photon sieve using pinhole ring diffraction model.

    Science.gov (United States)

    Liu, Tao; Zhang, Xin; Wang, Lingjie; Wu, Yanxiong; Zhang, Jizhen; Qu, Hemeng

    2015-06-10

    In this paper, we developed a pinhole ring diffraction model for the focusing analysis of a large photon sieve. Instead of analyzing individual pinholes, we discuss the focusing of all of the pinholes in a single ring. An explicit equation for the diffracted field of individual pinhole ring has been proposed. We investigated the validity range of this generalized model and analytically describe the sufficient conditions for the validity of this pinhole ring diffraction model. A practical example and investigation reveals the high accuracy of the pinhole ring diffraction model. This simulation method could be used for fast and accurate focusing analysis of a large photon sieve.

  18. Single Particle Differentiation through 2D Optical Fiber Trapping and Back-Scattered Signal Statistical Analysis: An Exploratory Approach.

    Science.gov (United States)

    Paiva, Joana S; Ribeiro, Rita S R; Cunha, João P S; Rosa, Carla C; Jorge, Pedro A S

    2018-02-27

    Recent trends on microbiology point out the urge to develop optical micro-tools with multifunctionalities such as simultaneous manipulation and sensing. Considering that miniaturization has been recognized as one of the most important paradigms of emerging sensing biotechnologies, optical fiber tools, including Optical Fiber Tweezers (OFTs), are suitable candidates for developing multifunctional small sensors for Medicine and Biology. OFTs are flexible and versatile optotools based on fibers with one extremity patterned to form a micro-lens. These are able to focus laser beams and exert forces onto microparticles strong enough (piconewtons) to trap and manipulate them. In this paper, through an exploratory analysis of a 45 features set, including time and frequency-domain parameters of the back-scattered signal of particles trapped by a polymeric lens, we created a novel single feature able to differentiate synthetic particles (PMMA and Polystyrene) from living yeasts cells. This single statistical feature can be useful for the development of label-free hybrid optical fiber sensors with applications in infectious diseases detection or cells sorting. It can also contribute, by revealing the most significant information that can be extracted from the scattered signal, to the development of a simpler method for particles characterization (in terms of composition, heterogeneity degree) than existent technologies.

  19. Toward Estimating Wetland Water Level Changes Based on Hydrological Sensitivity Analysis of PALSAR Backscattering Coefficients over Different Vegetation Fields

    Directory of Open Access Journals (Sweden)

    Ting Yuan

    2015-03-01

    Full Text Available Synthetic Aperture Radar (SAR has been successfully used to map wetland’s inundation extents and types of vegetation based on the fact that the SAR backscatter signal from the wetland is mainly controlled by the wetland vegetation type and water level changes. This study describes the relation between L-band PALSAR  and seasonal water level changes obtained from Envisat altimetry over the island of Île Mbamou in the Congo Basin where two distinctly different vegetation types are found. We found positive correlations between and water level changes over the forested southern Île Mbamou whereas both positive and negative correlations were observed over the non-forested northern Île Mbamou depending on the amount of water level increase. Based on the analysis of sensitivity, we found that denser vegetation canopy leads to less sensitive  variation with respect to the water level changes regardless of forested or non-forested canopy. Furthermore, we attempted to estimate water level changes which were then compared with the Envisat altimetry and InSAR results. Our results demonstrated a potential to generate two-dimensional maps of water level changes over the wetlands, and thus may have substantial synergy with the planned Surface Water and Ocean Topography (SWOT mission.

  20. Crystallization and diffraction analysis of thioredoxin reductase from Streptomyces coelicolor

    International Nuclear Information System (INIS)

    Koháryová, Michaela; Brynda, Jiří; Řezáčová, Pavlína; Kollárová, Marta

    2011-01-01

    Thioredoxin reductase from S. coelicolor was crystallized and diffraction data were collected to 2.4 Å resolution. Thioredoxin reductases are homodimeric flavoenzymes that catalyze the transfer of electrons from NADPH to oxidized thioredoxin substrate. Bacterial thioredoxin reductases represent a promising target for the development of new antibiotics. Recombinant thioredoxin reductase TrxB from Streptomyces coelicolor was crystallized using the hanging-drop vapour-diffusion method. X-ray diffraction data were collected from cryocooled crystals to 2.4 Å resolution using a synchrotron-radiation source. The crystals belonged to the primitive monoclinic space group P2 1 , with unit-cell parameters a = 82.9, b = 60.6, c = 135.4 Å, α = γ = 90.0, β = 96.5°

  1. Electron diffraction, elemental and image analysis of nanocrystals

    Czech Academy of Sciences Publication Activity Database

    Šlouf, Miroslav; Pavlova, Ewa; Hromádková, Jiřina; Králová, Daniela; Tyrpekl, Václav

    2009-01-01

    Roč. 16, 2a (2009), s. 33-34 ISSN 1211-5894. [Struktura - Colloquium of Czech and Slovak Crystallographic Association. Hluboká nad Vltavou, 22.06.2009-25.06.2009] R&D Projects: GA AV ČR KAN200520704; GA ČR GA203/07/0717 Institutional research plan: CEZ:AV0Z40500505 Keywords : TEM * electron diffraction * nanocrystals Subject RIV: CD - Macromolecular Chemistry

  2. A global analysis of inclusive diffractive cross sections at HERA

    Energy Technology Data Exchange (ETDEWEB)

    Royon, C.; Schoeffel, L. [Service de Physique des Particules, CE-Saclay, F-91191 Gif-sur-Yvette Cedex (France); Sapeta, S. [M. Smoluchowski Institue of Physics Jagellonian University Reymonta 4, 30-059 Krakow (Poland); Peschanski, R. [Service de Physique Theorique, CE-Saclay, F-91191 Gif-sur-Yvette Cedex (France); Sauvan, E. [CPPM, IN2P3-CNRS et Universitie de la Mediterranee, F-13288 Marseille Cedex 09 (France)

    2006-10-15

    We describe the most recent data on the diffractive structure functions from the H1 and ZEUS Collaborations at HERA using four models. First, a Pomeron Structure Function (PSF) model, in which the Pomeron is considered as an object with parton distribution functions. Then, the Bartels Ellis Kowalski Wuesthoff (BEKW) approach is discussed, assuming the simplest perturbative description of the Pomeron using a two-gluon ladder. A third approach, the Bialas Peschanski (BP) model, based on the dipole formalism is then described. Finally, we discuss the Golec-Biernat-Wuesthoff (GBW) saturation model which takes into account saturation effects. The best description of all available measurements can be achieved with either the PSF based model or the BEKW approach. In particular, the BEKW prediction allows to include the highest {beta} measurements, which are dominated by higher twists effects and provide an efficient and compact parametrisation of the diffractive cross section. The two other models also give a good description of cross section measurements at small x with a small number of parameters. The comparison of all predictions allows us to identify interesting differences in the behaviour of the effective pomeron intercept and in the shape of the longitudinal component of the diffractive structure functions. In this last part, we present some features that can be discriminated by new experimental measurements, completing the HERA program. (authors)

  3. A global analysis of inclusive diffractive cross sections at HERA

    International Nuclear Information System (INIS)

    Royon, C.; Schoeffel, L.; Sapeta, S.; Peschanski, R.; Sauvan, E.

    2006-10-01

    We describe the most recent data on the diffractive structure functions from the H1 and ZEUS Collaborations at HERA using four models. First, a Pomeron Structure Function (PSF) model, in which the Pomeron is considered as an object with parton distribution functions. Then, the Bartels Ellis Kowalski Wuesthoff (BEKW) approach is discussed, assuming the simplest perturbative description of the Pomeron using a two-gluon ladder. A third approach, the Bialas Peschanski (BP) model, based on the dipole formalism is then described. Finally, we discuss the Golec-Biernat-Wuesthoff (GBW) saturation model which takes into account saturation effects. The best description of all available measurements can be achieved with either the PSF based model or the BEKW approach. In particular, the BEKW prediction allows to include the highest β measurements, which are dominated by higher twists effects and provide an efficient and compact parametrisation of the diffractive cross section. The two other models also give a good description of cross section measurements at small x with a small number of parameters. The comparison of all predictions allows us to identify interesting differences in the behaviour of the effective pomeron intercept and in the shape of the longitudinal component of the diffractive structure functions. In this last part, we present some features that can be discriminated by new experimental measurements, completing the HERA program. (authors)

  4. Quantum diffraction and interference of spatially correlated photon pairs and its Fourier-optical analysis

    International Nuclear Information System (INIS)

    Shimizu, Ryosuke; Edamatsu, Keiichi; Itoh, Tadashi

    2006-01-01

    We present one- and two-photon diffraction and interference experiments involving parametric down-converted photon pairs. By controlling the divergence of the pump beam in parametric down-conversion, the diffraction-interference pattern produced by an object changes from a quantum (perfectly correlated) case to a classical (uncorrelated) one. The observed diffraction and interference patterns are accurately reproduced by Fourier-optical analysis taking into account the quantum spatial correlation. We show that the relation between the spatial correlation and the object size plays a crucial role in the formation of both one- and two-photon diffraction-interference patterns

  5. Preparation of specimens for analysis by: X-ray diffraction and X-ray fluorescence analysis

    International Nuclear Information System (INIS)

    Banos L, L.

    2004-01-01

    Specimen preparation is one of the most important requirements in the analysis of samples by X-ray Diffraction and X-ray Fluorescence. This statement is especially true for samples containing different types of materials. There are many forms of specimen suitable for X-ray analysis and the type of the sample as received will generally determine the method of pretreatment. It is convenient to refer to the material received for analysis as the sample, and that, which is actually analyzed as the specimen. The powder Diffraction method assumes that the particles in the specimen are ideally random orientation and that there are enough crystallites in the specimen to achieve a representative intensity distribution for these crystallites. X ray Fluorescence is essentially a comparative method of analysis, it is vital that all standards and unknowns be presented to the spectrometer in a reproducible and identical manner. (Author) 3 refs., 6 figs

  6. Interference phenomena at backscattering by ice crystals of cirrus clouds.

    Science.gov (United States)

    Borovoi, Anatoli; Kustova, Natalia; Konoshonkin, Alexander

    2015-09-21

    It is shown that light backscattering by hexagonal ice crystals of cirrus clouds is formed within the physical-optics approximation by both diffraction and interference phenomena. Diffraction determines the angular width of the backscattering peak and interference produces the interference rings inside the peak. By use of a simple model for distortion of the pristine hexagonal shape, we show that the shape distortion leads to both oscillations of the scattering (Mueller) matrix within the backscattering peak and to a strong increase of the depolarization, color, and lidar ratios needed for interpretation of lidar signals.

  7. Backscattered electron imaging: The role in calcified tissue and implant analysis

    International Nuclear Information System (INIS)

    Bloebaum, R.D.; Bachus, K.N.; Boyce, T.M.

    1990-01-01

    The working distance and tilt studies helped to clarify the influences of specimen variability when the BSE mode is used in calcified tissue research. This work has shown that the BSEPs of cortical bone may be accurately maintained within 2 percent error over a 10 degree range of tilt, or 300 microns working distance variation. If future bone and implant investigators wish to conduct accurate, quantitative mineral microanalysis in bone, then standard grinding and polishing techniques should be adequate if calibration procedures are developed. The BSEP characteristics of the pure metals make them suitable to be used for calibrating the BSE signal. BSE analysis, with correlated biomechanical studies, will lead us to a better understanding of the relationships between structure, function, and mineral content in bone. On-line BSEP analysis techniques will expand our understanding of the mineralization events in bone which are associated with aging, weightlessness, pharmaceutical therapies, and the presence of biomaterials. The future of the BSE imaging technology and the contributions to be made in understanding the histometry, biomechanics and mineral content of bone as well as bone's response to implant materials has just begun to unfold. 74 references

  8. X-ray diffraction analysis device with electronic photon counter

    International Nuclear Information System (INIS)

    Fillit, R.Y.; Bruyas, H.; Patay, F.

    1985-01-01

    The means provided to control the movements around the three axes are composed of step-by-step motors related to exits control logic which is connected to the calculation and monitored by a clock. The clock monitors also the calculator so as that the calculator controls, together with the programmable clock and control logic, the coordination of the whole rotation movements, along the three rotation axes, their velocity, their duration and the acquisition of the measured intensities of the diffracted X-ray beam [fr

  9. Diffraction analysis of materials under strong plastic deformation

    International Nuclear Information System (INIS)

    Pyzalla, A.

    2001-01-01

    The applicability of X-ray diffraction in analyses of the microstructure texture and intrinsic stresses of materials under strong plastic deformation is illustrated by examples and discussed. The experimental methods and findings are supplemented by numeric calculations. It is shown how the microstructure, texture and intrinsic stresses can thus be optimized already in the production process. Analyses of changes in materials during operation of a component provide information on loads and material response to loads which can then be used for optimization of the component, e.g. by constructional modifications or selective heat treatment [de

  10. Dynamic coherent backscattering mirror

    Energy Technology Data Exchange (ETDEWEB)

    Zeylikovich, I.; Xu, M., E-mail: mxu@fairfield.edu [Physics Department, Fairfield University, Fairfield, CT 06824 (United States)

    2016-02-15

    The phase of multiply scattered light has recently attracted considerable interest. Coherent backscattering is a striking phenomenon of multiple scattered light in which the coherence of light survives multiple scattering in a random medium and is observable in the direction space as an enhancement of the intensity of backscattered light within a cone around the retroreflection direction. Reciprocity also leads to enhancement of backscattering light in the spatial space. The random medium behaves as a reciprocity mirror which robustly converts a diverging incident beam into a converging backscattering one focusing at a conjugate spot in space. Here we first analyze theoretically this coherent backscattering mirror (CBM) phenomenon and then demonstrate the capability of CBM compensating and correcting both static and dynamic phase distortions occurring along the optical path. CBM may offer novel approaches for high speed dynamic phase corrections in optical systems and find applications in sensing and navigation.

  11. Precise structural analysis of methane hydrate by neutron diffraction

    International Nuclear Information System (INIS)

    Igawa, Naoki; Hoshikawa, Akinori; Ishii, Yoshinobu

    2006-01-01

    Methane hydrate has attracted great interest as an energy resource to replace natural gas since this material is deposited in the seafloor and the deposits are estimated to exceed those of natural gas. Understanding the physical proprieties, such as the temperature dependence of the crystal structure, helps to specify the optimum environmental temperature and pressure during drilling, transport, and storage of methane hydrate. Clathrate hydrates consisted of encaging atomic and/or molecular species as a guest and host water formed by a hydrogen bonding. Although many studies on the clathrate hydrate including methane hydrate were reported, no detailed crystallographic property has yet been cleared. We focused on the motion of methane in the clathrate hydrate by the neutron diffraction. The crystal structure of the methane hydrate was analyzed by the applying the combination of the Rietveld refinement and the maximum entropy method (MEM) to neutron powder diffraction. Temperature dependence of the scattering-length density distribution maps revealed that the motion of methane molecules differs between the shapes of dodecahedron and tetrakaidecahedron. (author)

  12. Quantitative analysis of minerals by X-ray diffraction

    International Nuclear Information System (INIS)

    Pietroluongo, L.R.V.; Veiga, M.M. da

    1982-01-01

    Considerations about the X-ray diffraction technique for quantitative analyses are made; some experiments carried out at CETEM - Centro de Tecnologia Mineral (Rio de Janeiro, Brazil) with synthetic samples and real samples of diatomites (from northeastern region of Brazil) are described. Quartz quantification has been a problem for analytical chemists and is of great importance to the industries which use this raw material. Comments are made about the main factors influencing the intensity of diffracted X-rays, such as: the crystallinity of the mineral phase; the granulometry, the preferential orientation; sample preparation and pressing, the chemical composition of standards and experimental analytical conditions. Several analytical methods used are described: direct measurement of the height or area of a peak resulting from a particular reflection and comparison with a pre-calibrated curve; method of sequential addition of the mineral of interest in the sample and extrapolation of results for ZERO addition; methods of external and internal standards. (C.L.B.) [pt

  13. Coherent diffraction microscopy at SPring-8: instrumentation, data acquisition and data analysis

    International Nuclear Information System (INIS)

    Xu, Rui; Salha, Sara; Raines, Kevin S.; Jiang, Huaidong; Chen, Chien-Chun; Takahashi, Yukio; Kohmura, Yoshiki; Nishino, Yoshinori; Song, Changyong; Ishikawa, Tetsuya; Miao, Jianwei

    2011-01-01

    An instrumentation and data analysis review of coherent diffraction microscopy at SPring-8 is given. This work will be of interest to those who want to apply coherent diffraction imaging to studies of materials science and biological samples. Since the first demonstration of coherent diffraction microscopy in 1999, this lensless imaging technique has been experimentally refined by continued developments. Here, instrumentation and experimental procedures for measuring oversampled diffraction patterns from non-crystalline specimens using an undulator beamline (BL29XUL) at SPring-8 are presented. In addition, detailed post-experimental data analysis is provided that yields high-quality image reconstructions. As the acquisition of high-quality diffraction patterns is at least as important as the phase-retrieval procedure to guarantee successful image reconstructions, this work will be of interest for those who want to apply this imaging technique to materials science and biological samples

  14. Analysis of the corium phases by X-ray diffraction; Analyses des phases du corium par diffraction des rayons X

    Energy Technology Data Exchange (ETDEWEB)

    Trillon, G

    2004-07-01

    In the framework of the severe accidents R and D studies led by CEA, the better knowledge of the corium behaviour, corium coming from the melting of a nuclear reactor, are fundamental stakes in order to master this kind of accident. Among the available physical properties of the corium, the nature of the final crystalline compounds which have been made during the, cooling gives information about its solidification and its stabilisation. X-Rays Diffraction is the reference method used in order to characterize the corium coming from the different facilities of the European platform PLINIUS of CEA-Cadarache. This work presents the scientific approach that has been followed in order to obtain information both qualitative and quantitative on corium, using X-Rays Diffraction. For instance, a specific method for identifying U{sub 1-x}Zr{sub x}O{sub 2} solid solutions has been developed, and the validity of quantitative analysis of corium crystalline phases using the Rietveld method (with an internal standard), has been tested. This last method has also permitted semi-quantitative measurements of amorphous phases within corium. For these studies, analysis of prototypical corium has been conducted on samples coming from the experiences led on the different facilities of the PLINIUS platform. These analysis allowed for the first time to obtain quantitative data of the corium crystalline phases in order to validate thermodynamic databases and has been used to estimate the thereto-physical properties of the corium. New information on crystalline phases of corium has also been found, especially for the UO{sub 2}-ZrO{sub 2} pseudo binary system. (author)

  15. Contemporary Use of Anomalous Diffraction in Biomolecular Structure Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Liu Q.; Hendrickson, W.

    2017-01-01

    The normal elastic X-ray scattering that depends only on electron density can be modulated by an ?anomalous? component due to resonance between X-rays and electronic orbitals. Anomalous scattering thereby precisely identifies atomic species, since orbitals distinguish atomic elements, which enables the multi- and single-wavelength anomalous diffraction (MAD and SAD) methods. SAD now predominates in de novo structure determination of biological macromolecules, and we focus here on the prevailing SAD method. We describe the anomalous phasing theory and the periodic table of phasing elements that are available for SAD experiments, differentiating between those readily accessible for at-resonance experiments and those that can be effective away from an edge. We describe procedures for present-day SAD phasing experiments and we discuss optimization of anomalous signals for challenging applications. We also describe methods for using anomalous signals as molecular markers for tracing and element identification. Emerging developments and perspectives are discussed in brief.

  16. Measurement and QCD analysis of diffractive jet cross sections in deep inelastic scattering at HERA

    Energy Technology Data Exchange (ETDEWEB)

    Mozer, M.U.

    2006-07-24

    Differential cross sections for the production of two jets in diffractive deep inelastic scattering (DIS) at HERA are presented. The process studied is of the type ep{yields}eXY, where the central hadronic system X contains at least two jets and is separated from the system Y by a gap in rapidity. The forward system Y consists of an elastically scattered proton or a low mass dissociation system. The data were taken with the H1 detector during the years of 1999 and 2000 and correspond to an integrated luminosity of 51.5 pb{sup -1}. The measured cross sections are compared to fixed order NLO QCD predictions, that use diffractive parton densities which have previously been determined by a NLO QCD analysis of inclusive diffractive DIS at H1. The prediction and the data show significant differences. However, the dijet cross section is dominated by the diffractive gluon density, which can be extracted by the above mentioned analysis only with considerable uncertainty. Hence a combined QCD analysis of the previously published inclusive diffractive data and the dijet data is performed. This combined fit analysis allows the determination of diffractive quark and gluon densities with comparable precision. The common description of inclusive diffractive data and the dijet data confirms QCD factorization. (orig.)

  17. X-Ray Diffraction and Fluorescence Instrument for Mineralogical Analysis at the Lunar Surface, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to develop LUNA, a compact and lightweight X-Ray Diffraction (XRD) / X-Ray Fluorescence (XRF) instrument for mineralogical analysis of regolith, rock...

  18. X-Ray Diffraction and Fluorescence Instrument for Mineralogical Analysis at the Lunar Surface, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose to develop a compact and lightweight X-Ray Diffraction (XRD) / X-Ray Fluorescence (XRF) instrument for analysis of mineralogical composition of regolith,...

  19. Quantitative method of X-ray diffraction phase analysis of building materials

    International Nuclear Information System (INIS)

    Czuba, J.; Dziedzic, A.

    1978-01-01

    Quantitative method of X-ray diffraction phase analysis of building materials, with use of internal standard, has been presented. The errors committed by determining the content of particular phases have been also given. (author)

  20. X-ray diffraction analysis of mudstone from nw sudan

    International Nuclear Information System (INIS)

    Salih, Suad Z.Elabdeen

    1997-03-01

    This study deals with the theoretical and experimental aspects of the x-ray diffraction technique (XRD). The XRD technique is used to investigate fine structure of matter, and it is most efficient method for the determination of the mineralogical composition of rocks. The XRD technique is used also to investigate the clay mineralogical of mud-stones of the Nubian sandstones of north western Sudan. The XRD results revealed that the mud-stone samples are composed, in decreasing abundance's of kaolinite, smectite, chlorite and illite. Non-clay minerals reported include quartz, feldspars and geothite. Kaolinite dominates in most of samples with percentages ranging between 78-96%. Smectite comes second in abundance and ranges between 10-24%, followed by chlorite and illite which showed the lowest abundance's. The dominance of kaolinite over smectite indicates that intense chemical weathering and leaching occurred under warm humid climate interrupted by dry periods. Most probably these clay minerals were produced by inheritance and partly by neo formation. The variation of the chemical composition of these mud stones is due basically to differences in clay mineralogy which was controlled by source rock geology, weathering physicochemical behavior of elements, local environment and climatic condition in the past. (Author)

  1. Quantitative evaluation of fluctuation error in X-ray diffraction profiles with fractal analysis

    International Nuclear Information System (INIS)

    Kurose, Masashi; Hirose, Yukio; Sasaki, Toshihiko; Yoshioka, Yasuo.

    1995-01-01

    A method of the fractal analysis was applied to the diffraction profiles for its quantitative evaluation. The fractal dimension was analyzed according to both Box counting method and FFT method. The relationship between the fractal dimension and the measurement criteria in X-ray diffraction analysis was discussed with diffraction data obtained under various conditions of the measurement. It was concluded that the fractal analysis is effective for the quantitative evaluation of diffraction data. Box counting method is suitable for evaluation of a whole profile, and FFT method is for that of a fundamental profile. The range of desirable condition of measurement is 1.0≤D≤1.2, where D is a fractal dimension. The appropriate range of measurement becomes 0.01≤Sw/HVB≤0.03, where Sw is the step width and the HVB is the half-value breadth. Stresses with higher precision were obtained from measurements under this new criteria. (author)

  2. COMPARING PARTICLE SIZE DISTRIBUTION ANALYSIS BY SEDIMENTATION AND LASER DIFFRACTION METHOD

    Directory of Open Access Journals (Sweden)

    Vito Ferro

    2009-06-01

    Full Text Available In this paper a brief review of the laser diffraction method is firstly carried out. Then, for 30 soil samples having a different texture classification sampled in Sicilian basin, a comparison between the two techniques is developed. The analysis demonstrated that the sand content measured by Sieve-Hydrometer method can be assumed equal to the one determinated by laser diffraction technique while an overestimation of the clay fraction measured by Sieve-Hydrometer method respect to laser diffraction technique was obtained. Finally a set of equations useful to refer LD measurements to SH method was proposed.

  3. Crystallization and preliminary X-ray diffraction analysis of West Nile virus

    International Nuclear Information System (INIS)

    Kaufmann, Bärbel; Plevka, Pavel; Kuhn, Richard J.; Rossmann, Michael G.

    2010-01-01

    Crystals of infectious West Nile virus were obtained and diffracted at best to about 25 Å resolution. Preliminary analysis of the diffraction pattern suggested tight hexagonal packing of the intact virus. West Nile virus, a human pathogen, is closely related to other medically important flaviviruses of global impact such as dengue virus. The infectious virus was purified from cell culture using polyethylene glycol (PEG) precipitation and density-gradient centrifugation. Thin amorphously shaped crystals of the lipid-enveloped virus were grown in quartz capillaries equilibrated by vapor diffusion. Crystal diffraction extended at best to a resolution of about 25 Å using synchrotron radiation. A preliminary analysis of the diffraction images indicated that the crystals had unit-cell parameters a ≃ b ≃ 480 Å, γ = 120°, suggesting a tight hexagonal packing of one virus particle per unit cell

  4. State-of-the-art and problems of X-ray diffraction analysis of biomacromolecules

    International Nuclear Information System (INIS)

    Andreeva, N. S.

    2006-01-01

    The state-of-the-art of X-ray diffraction studies of biomacromolecules is briefly characterized, and the challenge imposed by science is discussed. These studies are characterized by a wide scope and extensive use. This field of science is of great interest and is developed in many countries. The main purpose is to solve practical problems in medicine consisting in the design of drugs against various diseases. X-ray diffraction analysis of enzymes brought the pharmaceutical industry to a new level, thus allowing the rational design of drugs against formerly untreatable diseases. Modern X-ray diffraction studies of biomacromolecules laid the basis for a new science called structural biology. This method allows one to solve fundamental problems of physical chemistry for a new state of matter existing in living systems. Here, science poses numerous problems in analysis of X-ray diffraction data on biological macromolecules. Many of theses problems are in their infancy

  5. Diffraction efficiency and noise analysis of hidden image holograms

    DEFF Research Database (Denmark)

    Tamulevičius, Sigitas; Andrulevičius, Mindaugas; Puodžiukynas, Linas

    2017-01-01

    recorded in a photoresist layer spin-coated on glass substrates applying laser interference lithography technique. Both analogue and digital analysis approaches showed the similar results thus confirming the appropriateness of the used analysis methods. It was found that holograms recorded at higher laser...

  6. COMPARING PARTICLE SIZE DISTRIBUTION ANALYSIS BY SEDIMENTATION AND LASER DIFFRACTION METHOD

    OpenAIRE

    Vito Ferro; Stefano Mirabile

    2009-01-01

    In this paper a brief review of the laser diffraction method is firstly carried out. Then, for 30 soil samples having a different texture classification sampled in Sicilian basin, a comparison between the two techniques is developed. The analysis demonstrated that the sand content measured by Sieve-Hydrometer method can be assumed equal to the one determinated by laser diffraction technique while an overestimation of the clay fraction measured by Sieve-Hydrometer method respect to laser diffr...

  7. X-ray diffraction analysis with diffractometer DRON-1

    International Nuclear Information System (INIS)

    Bochenin, V.I.

    1978-01-01

    Rapid methods of phase quantitative analysis of wolframite (FeMn)WO 4 and molybdenite MoS 2 in industrial materials using DRON-1 diffractometer are suggested. Diffractometer with spectrometric attachment was used for determination of (FeMn)WO 4 in industrial raw materials. Results of the above analysis have been compared with the data of chemical analysis, their good agreement has been shown. Time of wolframite determination in one sample is 8-10 min. Method of standard background with respect to absorption properties of medium has been developed for MoS 2 rapid determination in enriched molybdenum ore. Time of molybdenite determination in one sample is 3-4min., error is 4 % rel. in MoS 2 concentration range from 15.4 to 36.7 %

  8. Mechanical assessment of bovine pericardium using Müeller matrix imaging, enhanced backscattering and digital image correlation analysis.

    Science.gov (United States)

    Cuando-Espitia, Natanael; Sánchez-Arévalo, Francisco; Hernández-Cordero, Juan

    2015-08-01

    Mechanical characterization of tissue is an important but complex task. We demonstrate the simultaneous use of Mueller matrix imaging (MMI), enhanced backscattering (EBS) and digital image correlation (DIC) in a bovine pericardium (BP) tensile test. The interest in BP relies on its wide use as valve replacement and biological patch. We show that the mean free path (MFP), obtained through EBS measurements, can be used as an indicator of the anisotropy of the fiber ensemble. Our results further show a good correlation between retardance images and displacement vector fields, which are intrinsically related with the fiber interaction within the tissue.

  9. Principles of electron backscattering by solids and thin films

    International Nuclear Information System (INIS)

    Niedrig, H.

    1977-01-01

    The parameters concerning the electron backscattering from thin films and solids (atomic scattering cross-section, atomic number, single/multiple scattering, film thickness of self-supporting films and of surface films on bulk substrates, scattering angular distribution, angle of incidence, diffraction effects) are described. Their influence on some important contrast mechanisms in scanning electron microscopy (thickness contrast, Z/material contrast, tilting/topography contrast, orientation contrast) is discussed. The main backscattering electron detection systems are briefly described. (orig.) [de

  10. Spatially coded backscatter radiography

    International Nuclear Information System (INIS)

    Thangavelu, S.; Hussein, E.M.A.

    2007-01-01

    Conventional radiography requires access to two opposite sides of an object, which makes it unsuitable for the inspection of extended and/or thick structures (airframes, bridges, floors etc.). Backscatter imaging can overcome this problem, but the indications obtained are difficult to interpret. This paper applies the coded aperture technique to gamma-ray backscatter-radiography in order to enhance the detectability of flaws. This spatial coding method involves the positioning of a mask with closed and open holes to selectively permit or block the passage of radiation. The obtained coded-aperture indications are then mathematically decoded to detect the presence of anomalies. Indications obtained from Monte Carlo calculations were utilized in this work to simulate radiation scattering measurements. These simulated measurements were used to investigate the applicability of this technique to the detection of flaws by backscatter radiography

  11. Backscatter Analysis Using Multi-Temporal SENTINEL-1 SAR Data for Crop Growth of Maize in Konya Basin, Turkey

    Science.gov (United States)

    Abdikan, S.; Sekertekin, A.; Ustunern, M.; Balik Sanli, F.; Nasirzadehdizaji, R.

    2018-04-01

    Temporal monitoring of crop types is essential for the sustainable management of agricultural activities on both national and global levels. As a practical and efficient tool, remote sensing is widely used in such applications. In this study, Sentinel-1 Synthetic Aperture Radar (SAR) imagery was utilized to investigate the performance of the sensor backscatter image on crop monitoring. Multi-temporal C-band VV and VH polarized SAR images were acquired simultaneously by in-situ measurements which was conducted at Konya basin, central Anatolia Turkey. During the measurements, plant height of maize plant was collected and relationship between backscatter values and plant height was analysed. The maize growth development was described under Biologische Bundesanstalt, bundessortenamt und CHemische industrie (BBCH). Under BBCH stages, the test site was classified as leaf development, stem elongation, heading and flowering in general. The correlation coefficient values indicated high correlation for both polarimetry during the early stages of the plant, while late stages indicated lower values in both polarimetry. As a last step, multi-temporal coverage of crop fields was analysed to map seasonal land use. To this aim, object based image classification was applied following image segmentation. About 80 % accuracies of land use maps were created in this experiment. As preliminary results, it is concluded that Sentinel-1 data provides beneficial information about plant growth. Dual-polarized Sentinel-1 data has high potential for multi-temporal analyses for agriculture monitoring and reliable mapping.

  12. In situ diffraction profile analysis during tensile deformation motivated by molecular dynamics

    International Nuclear Information System (INIS)

    Van Swygenhoven, H.; Budrovic, Z.; Derlet, P.M.; Froseth, A.G.; Van Petegem, S.

    2005-01-01

    Molecular dynamics simulations can provide insight into the slip mechanism at the atomic scale and suggest that in nanocrystalline metals dislocations are nucleated and absorbed by the grain boundaries. However, this technique is limited by very short simulation times. Using suggestions from molecular dynamics, we have developed a new in situ X-ray diffraction technique wherein the profile analysis of several Bragg diffraction peaks during tensile deformation is possible. Combining experiment and careful structural analysis the results confirm the suggestions from atomistic simulations

  13. Device for high-temperature X-ray diffraction analysis. Ustrojstvo dlya vysokotemperaturnogo rentgenostrukturnogo analiza

    Energy Technology Data Exchange (ETDEWEB)

    Epifanov, V G; Zavilinskij, A V; Pet' kov, V V; Polenur, A V

    1975-01-07

    Device for high-temperature X-ray diffraction analysis, containing a vacuum chamber with a window for X-ray transit, in which sample- and standard-holders, heater, thermal shields and means for standard and sample temperature measurement are located, is proposed. In order to increase the working temperature level and the structural change detection accuracy the heater is located between the sample- and standard-holders. The standard-holder is linked with the mechanism of control of its position in relation to the heater. The device is intended for investigating phase transformations by differential thermal analysis method with the simultaneous diffraction pattern detection using X-ray diffractometry method.

  14. Combining pixel and object based image analysis of ultra-high resolution multibeam bathymetry and backscatter for habitat mapping in shallow marine waters

    Science.gov (United States)

    Ierodiaconou, Daniel; Schimel, Alexandre C. G.; Kennedy, David; Monk, Jacquomo; Gaylard, Grace; Young, Mary; Diesing, Markus; Rattray, Alex

    2018-06-01

    Habitat mapping data are increasingly being recognised for their importance in underpinning marine spatial planning. The ability to collect ultra-high resolution (cm) multibeam echosounder (MBES) data in shallow waters has facilitated understanding of the fine-scale distribution of benthic habitats in these areas that are often prone to human disturbance. Developing quantitative and objective approaches to integrate MBES data with ground observations for predictive modelling is essential for ensuring repeatability and providing confidence measures for habitat mapping products. Whilst supervised classification approaches are becoming more common, users are often faced with a decision whether to implement a pixel based (PB) or an object based (OB) image analysis approach, with often limited understanding of the potential influence of that decision on final map products and relative importance of data inputs to patterns observed. In this study, we apply an ensemble learning approach capable of integrating PB and OB Image Analysis from ultra-high resolution MBES bathymetry and backscatter data for mapping benthic habitats in Refuge Cove, a temperate coastal embayment in south-east Australia. We demonstrate the relative importance of PB and OB seafloor derivatives for the five broad benthic habitats that dominate the site. We found that OB and PB approaches performed well with differences in classification accuracy but not discernible statistically. However, a model incorporating elements of both approaches proved to be significantly more accurate than OB or PB methods alone and demonstrate the benefits of using MBES bathymetry and backscatter combined for class discrimination.

  15. Crystallization and preliminary X-ray diffraction analysis of rat autotaxin

    International Nuclear Information System (INIS)

    Day, Jacqueline E.; Hall, Troii; Pegg, Lyle E.; Benson, Timothy E.; Hausmann, Jens; Kamtekar, Satwik

    2010-01-01

    Autotaxin (ATX), a pyrophosphatase/phosphodiesterase enzyme, is a promising drug target for many indications and is only distantly related to enzymes of previously determined structure. Here, the cloning, expression, purification, crystallization and preliminary diffraction analysis of ATX are reported. Rat autotaxin has been cloned, expressed, purified to homogeneity and crystallized via hanging-drop vapour diffusion using PEG 3350 as precipitant and ammonium iodide and sodium thiocyanate as salts. The crystals diffracted to a maximum resolution of 2.05 Å and belonged to space group P1, with unit-cell parameters a = 53.8, b = 63.3, c = 70.5 Å, α = 98.8, β = 106.2, γ = 99.8°. Preliminary X-ray diffraction analysis indicated the presence of one molecule per asymmetric unit, with a solvent content of 47%

  16. Regge analysis of diffractive and leading baryon structure functions from deep inelastic scattering

    International Nuclear Information System (INIS)

    Batista, M.; Covolan, R.J.M.; Montanha, J.

    2002-01-01

    In this paper we present a combined analysis of the H1 data on leading baryon and diffractive structure functions from DIS, which are handled as two components of the same semi-inclusive process. The available structure function data are analyzed in a series of fits in which three main exchanges are taken into account: the Pomeron, Reggeon, and pion. For each of these contributions, Regge factorization of the correspondent structure function is assumed. By this procedure, we extract information about the interface between the diffractive, Pomeron-dominated, region and the leading proton spectrum, which is mostly ruled by secondary exchanges. One of the main results is that the relative Reggeon contribution to the semi-inclusive structure function is much smaller than the one obtained from an analysis of the diffractive structure function alone

  17. Structure analysis of liquids and disordered materials using pulsed neutron diffraction and total scattering

    International Nuclear Information System (INIS)

    Suzuya, Kentaro

    2011-01-01

    Neutron diffraction·total scattering at pulsed neutron source is a powerful method to analyze the complex structure of disordered materials: liquids, glasses, amorphous materials and disordered crystals. The basic idea of the structure of disordered materials, the fundamental diffraction theory for disordered materials, and structure analysis of disordered materials using pulsed neutron diffraction·total scattering technique (TOF method) are described in detail. In addition, the precise information of the world highest class J-PARC MLF spallation neutron source and typical J-PARC neutron total scattering instrument NOVA are also given. Recent structural modelling methods of disordered materials such like reverse Monte Carlo (RMC) simulation method is briefly described using an example of the analysis of a typical disordered material silica glass. (author)

  18. Extracting electron backscattering coefficients from backscattered electron micrographs

    International Nuclear Information System (INIS)

    Zupanic, F.

    2010-01-01

    Electron backscattering micrographs possess the so-called Z-contrast, carrying information about the chemical compositions of phases present in microstructures. The intensity at a particular point in the backscattered electron micrograph is proportional to the signal detected at a corresponding point in the scan raster, which is, in turn, proportional to the electron backscattering coefficient of a phase at that point. This article introduces a simple method for extracting the electron backscattering coefficients of phases present in the microstructure, from the backscattered electron micrographs. This method is able to convert the micrograph's greyscale to the backscattering-coefficient-scale. The prerequisite involves the known backscattering coefficients for two phases in the micrograph. In this way, backscattering coefficients of other phases can be determined. The method is unable to determine the chemical compositions of phases or the presence of an element only from analysing the backscattered electron micrograph. Nevertheless, this method was found to be very powerful when combined with energy dispersive spectroscopy, and the calculations of backscattering coefficients. - Research Highlights: →A simple method for extracting the electron backscattering coefficients →The prerequisite is known backscattering coefficients for two phases →The information is complementary to the EDS-results. →This method is especially useful when a phase contains a light element (H, Li, Be, and B)

  19. Backscatter Analysis Using Multi-Temporal and Multi-Frequency SAR Data in the Context of Flood Mapping at River Saale, Germany

    Directory of Open Access Journals (Sweden)

    Sandro Martinis

    2015-06-01

    Full Text Available In this study, an analysis of multi-temporal and multi-frequency Synthetic Aperture Radar data is performed to investigate the backscatter behavior of various semantic classes in the context of flood mapping in central Europe. The focus is mainly on partially submerged vegetation such as forests and agricultural fields. The test area is located at River Saale, Saxony-Anhalt, Germany, which is covered by a time series of 39 TerraSAR-X data acquired within the time interval December 2009 to June 2013. The data set is supplemented by ALOS PALSAR L-band and RADARSAT-2 C-band data. The time series covers two inundations in January 2011 and June 2013 which allows evaluating backscatter variations between flood periods and normal water level conditions using different radar wavelengths. According to the results, there is potential in detecting flooding beneath vegetation in all microwave wavelengths, even in X-band for sparse vegetation or leaf-off forests.

  20. Quantitative phase analysis of uranium carbide from x-ray diffraction data using the Rietveld method

    International Nuclear Information System (INIS)

    Singh Mudher, K.D.; Krishnan, K.

    2003-01-01

    Quantitative phase analysis of a uranium carbide sample was carried out from the x-ray diffraction data by Rietveld profile fitting method. The method does not require the addition of any reference material. The percentage of UC, UC 2 and UO 2 phases in the sample were determined. (author)

  1. Incident spectrum determination for time-of-flight neutron powder diffraction data analysis

    International Nuclear Information System (INIS)

    Hodges, J. P.

    1998-01-01

    Accurate characterization of the incident neutron spectrum is an important requirement for precise Rietveld analysis of time-of-flight powder neutron diffraction data. Without an accurate incident spectrum the calculated model for the measured relative intensities of individual Bragg reflections will possess systematic errors. We describe a method for obtaining an accurate numerical incident spectrum using data from a transmitted beam monitor

  2. Mössbauer effect studies and X-ray diffraction analysis of cobalt ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 26; Issue 5. Mössbauer effect studies and X-ray diffraction analysis of cobalt ferrite prepared in powder form by thermal decomposition method. M D Joseph Sebastian B Rudraswamy M C Radhakrishna Ramani. Magnetic Materials Volume 26 Issue 5 August 2003 pp ...

  3. Role of diffraction and electron analysis in the fast reactor programme

    Energy Technology Data Exchange (ETDEWEB)

    Ferguson, I. F. [ed.

    1975-09-15

    After first discussing irradiation damage, the whole range of new methods of probe analysis were reviewed with a special reference to the study of surfaces. Further papers discussed scanning auger microscopy and the nuclear microprobe. Current diffraction studies were then described on uranium dioxide and the neutron poisons: boron carbide and europia. Finally, new techniques were covered with special reference to the scanning electron microscope and the application of the Harwell 6000 series electronics to x-ray diffraction. Separate records were prepared for each paper covered.

  4. ZDS - a computer program for analysis of X-ray powder diffraction patterns

    International Nuclear Information System (INIS)

    Ondrus, P.

    1993-01-01

    The ZDS system creates an integrated environment of procedures for complete and precise analysis of raw powder diffraction patterns. The basis of the ZDS system is a graphic control centre for easy and user-friendly application of all included procedures. It offers a number of application procedures without an interaction with any data base. The program operates either in an automatic or manual mode. The manual mode makes possible specialized applications. The input and output of the data are compatible with Philips and Siemens powder diffraction software. The ZDS system runs with Intel 80286 or 80386-based PC computers with or without math-coprocesor. (orig.)

  5. The Gaussian beam mode analysis of classical phase aberrations in diffraction-limited optical systems

    Science.gov (United States)

    Trappe, Neil; Murphy, J. Anthony; Withington, Stafford

    2003-07-01

    Gaussian beam mode analysis (GBMA) offers a more intuitive physical insight into how light beams evolve as they propagate than the conventional Fresnel diffraction integral approach. In this paper we illustrate that GBMA is a computationally efficient, alternative technique for tracing the evolution of a diffracting coherent beam. In previous papers we demonstrated the straightforward application of GBMA to the computation of the classical diffraction patterns associated with a range of standard apertures. In this paper we show how the GBMA technique can be expanded to investigate the effects of aberrations in the presence of diffraction by introducing the appropriate phase error term into the propagating quasi-optical beam. We compare our technique to the standard diffraction integral calculation for coma, astigmatism and spherical aberration, taking—for comparison—examples from the classic text 'Principles of Optics' by Born and Wolf. We show the advantages of GBMA for allowing the defocusing of an aberrated image to be evaluated quickly, which is particularly important and useful for probing the consequences of astigmatism and spherical aberration.

  6. The Gaussian beam mode analysis of classical phase aberrations in diffraction-limited optical systems

    International Nuclear Information System (INIS)

    Trappe, Neil; Murphy, J Anthony; Withington, Stafford

    2003-01-01

    Gaussian beam mode analysis (GBMA) offers a more intuitive physical insight into how light beams evolve as they propagate than the conventional Fresnel diffraction integral approach. In this paper we illustrate that GBMA is a computationally efficient, alternative technique for tracing the evolution of a diffracting coherent beam. In previous papers we demonstrated the straightforward application of GBMA to the computation of the classical diffraction patterns associated with a range of standard apertures. In this paper we show how the GBMA technique can be expanded to investigate the effects of aberrations in the presence of diffraction by introducing the appropriate phase error term into the propagating quasi-optical beam. We compare our technique to the standard diffraction integral calculation for coma, astigmatism and spherical aberration, taking - for comparison - examples from the classic text 'Principles of Optics' by Born and Wolf. We show the advantages of GBMA for allowing the defocusing of an aberrated image to be evaluated quickly, which is particularly important and useful for probing the consequences of astigmatism and spherical aberration

  7. Crystallization and preliminary X-ray diffraction analysis of mevalonate kinase from Methanosarcina mazei

    International Nuclear Information System (INIS)

    Zhuang, Ningning; Seo, Kyung Hye; Chen, Cong; Zhou, Jia; Kim, Seon Won; Lee, Kon Ho

    2012-01-01

    Recombinant mevalonate kinase from M. mazei has been crystallized. Diffraction data were collected to 2.08 Å resolution. Mevalonate kinase (MVK), which plays an important role in catalysing the biosynthesis of isoprenoid compounds derived from the mevalonate pathway, transforms mevalonate to 5-phosphomevalonate using ATP as a cofactor. Mevalonate kinase from Methanosarcina mazei (MmMVK) was expressed in Escherichia coli, purified and crystallized for structural analysis. Diffraction-quality crystals of MmMVK were obtained by the vapour-diffusion method using 0.32 M MgCl 2 , 0.08 M bis-tris pH 5.5, 16%(w/v) PEG 3350. The crystals belonged to space group P2 1 2 1 2, with unit-cell parameters a = 97.11, b = 135.92, c = 46.03 Å. Diffraction data were collected to 2.08 Å resolution

  8. Crystallization and preliminary X-ray diffraction analysis of the middle domain of Paip1

    International Nuclear Information System (INIS)

    Kanaan, Ahmad Seif; Frank, Filipp; Maedler-Kron, Chelsea; Verma, Karan; Sonenberg, Nahum; Nagar, Bhushan

    2009-01-01

    The crystallization of the putative MIF4G domain of Paip1 is described. The crystals belonged to the monoclinic space group P2 1 and diffracted X-rays to beyond 2.2 Å resolution. The poly(A)-binding protein (PABP) simultaneously interacts with the poly(A) tail of mRNAs and the scaffolding protein eIF4G to mediate mRNA circularization, resulting in stimulation of protein translation. PABP is regulated by the PABP-interacting protein Paip1. Paip1 is thought to act as a translational activator in 5′ cap-dependent translation by interacting with PABP and the initiation factors eIF4A and eIF3. Here, the crystallization and preliminary diffraction analysis of the middle domain of Paip1 (Paip1M), which produces crystals that diffract to a resolution of 2.2 Å, are presented

  9. Synchrotron X-ray diffraction analysis for quantitative defect evaluation in GaP/Si nanolayers

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen Thanh, T.; Robert, C. [Université Européenne de Bretagne, INSA, FOTON, UMR 6082, F-35708 RENNES (France); Létoublon, A., E-mail: Antoine.letoublon@insa-rennes.fr [Université Européenne de Bretagne, INSA, FOTON, UMR 6082, F-35708 RENNES (France); Cornet, C. [Université Européenne de Bretagne, INSA, FOTON, UMR 6082, F-35708 RENNES (France); Quinci, T. [Université Européenne de Bretagne, INSA, FOTON, UMR 6082, F-35708 RENNES (France); CEA LCP, INES, 50 av. du Lac Léman, Savoie Technolac, 73375 Le Bourget du Lac (France); Giudicelli, E.; Almosni, S. [Université Européenne de Bretagne, INSA, FOTON, UMR 6082, F-35708 RENNES (France); Boudet, N. [CRG-D2AM, ESRF and Inst. Néel, CNRS-UJF, 25 Av des Martyrs, 38042 Grenoble (France); Ponchet, A. [CEMES, CNRS, Université de Toulouse, 29 rue J. Marvig BP 94347, 31055 Toulouse Cedex 4 (France); Kuyyalil, J. [Université Européenne de Bretagne, INSA, FOTON, UMR 6082, F-35708 RENNES (France); Danila, M. [National Institute for Research and Development in Microtechnologies (IMT), 126A Erou Iancu Nicolae Street, 077190, Bucharest (Romania); Durand, O.; Bertru, N.; Le Corre, A. [Université Européenne de Bretagne, INSA, FOTON, UMR 6082, F-35708 RENNES (France)

    2013-08-31

    In the context of III–V monolithic integration on silicon, synchrotron X-ray diffraction has been employed in this study using a bi-dimensional large area hybrid pixel detector (XPAD third generation) to characterize defects in the GaP layers. Despite a very coherent interface (low plastic relaxation) of GaP/Si, 2 types of defect are detected. Micro-twins contributions are evidenced and quantitatively evaluated from additional reflections analysis. Antiphase domains are evidenced using the Williamson-Hall-like plot method applied to transverse scans extracted directly from single XPAD images taken on specular GaP reflections. - Highlights: ► Antiphase domain evidence and characterization in GaP/Si using X-ray diffraction ► Microtwin evidence and characterization ► Synchrotron diffraction ► Large area X-ray hybrid pixel detector.

  10. Advances in X-ray powder diffraction profile analysis and its application in ceramic material studies

    International Nuclear Information System (INIS)

    Zhang, Y.

    1988-01-01

    This dissertation is concerned with the following major aspects: (1) the development of necessary computer codes to carry out X-ray powder diffraction profile analysis (XPDPA) calculations; (2) the establishment of a general reference material (GRM) which greatly extends the application of XPDPA and the study of the application of the GRM in profile analysis; (3) the determination of the coherent diffracting domain size and the lattice residual microstrain for some shock-modified and jet-milled materials. A computer code for diffraction profile refinement, XRAYL, fits a diffraction profile with any one of five mathematical functions, either as symmetric or asymmetric (split mode) forms. The resulting patterns meet the requirements for successful profile analysis of microstrain and crystallite size. Powder diffraction profile analysis requires an instrument calibration standard to correct data for instrumental profiles due to the system optics. A general reference material, LaB 6 , has been established. The pattern of this LaB 6 powder can be used to generate a reference pattern for any other substance. Through three applications, it has been shown that this LaB 6 sample can be used to remove the instrumental broadenings and gives reasonable size and strain estimates in the profile analysis of other materials. Many previous studies have shown that the solid state reactivity and physical properties of some ceramic materials can be substantially enhanced. XPDPA techniques have been used to study the plastic deformation and the reduction of crystallite size for eight shock-modified ceramic materials. The size and strain values of these materials are correlated with shock parameters

  11. Quantitative analysis of phases by x-ray diffraction and thermogravimetry in Cuban phosphorite ores

    International Nuclear Information System (INIS)

    Casanova Gomez, Abdel; Martinez Montalvo, Asor; Cilano Campos, Guillermo; Arostegui Aguirre, Miladys; Ferreiro Fernandez, Adalyz; Alonso Perez, Jose A.

    2016-01-01

    Phases analysis is performed by instrumental techniques X - ray diffraction and Thermal Analysis in two groups of samples of Cuban minerals carriers'phosphorus, candidates to reference materials. To this end, the variant of structural refinement of the diffraction pattern in the form of adjustment profile is applied, using the Full prof program of Juan Rodriguez-Carvajal. This analysis is the first step to develop the standard specification of these resources and classify them as phosphate rock and / or phospharite from their mass content. The statistical evaluation of the uncertainty of the quantitative analysis (standard deviation) was carried out in ten replicate samples of phosphate rock and eight of phosphate from the field Trinidad de Guedes. The qualitative phase analysis reflected the following phase composition: carbonate fluoroapatite (CFA), Calcite, Quartz and Halloysite (present only in the clayey granular phosphorite ore; FGA). By the method of setting pattern powder diffraction profile, the quantitative phase composition is reported in the sample FGA: 87 (2) % of CFA, 4 (1) % of Calcite, 1% Quartz, and 8 (3) % Halloysite. For granular limestone ore (FGC), the following contents were obtained: 87 (3) % Calcite, 8 (3) % of CFA and 5 (1) % Quartz: The obtained values are corroborated by Thermogravimetric Analysis (TG) through the calculation of the mass content of the thermally active phases (Calcite and CFA) in the range (27-10000 0 C), confirming the validity of the results of XRD. (Author)

  12. Automated flow quantification in valvular heart disease based on backscattered Doppler power analysis: implementation on matrix-array ultrasound imaging systems.

    Science.gov (United States)

    Buck, Thomas; Hwang, Shawn M; Plicht, Björn; Mucci, Ronald A; Hunold, Peter; Erbel, Raimund; Levine, Robert A

    2008-06-01

    Cardiac ultrasound imaging systems are limited in the noninvasive quantification of valvular regurgitation due to indirect measurements and inaccurate hemodynamic assumptions. We recently demonstrated that the principle of integration of backscattered acoustic Doppler power times velocity can be used for flow quantification in valvular regurgitation directly at the vena contracta of a regurgitant flow jet. We now aimed to accomplish implementation of automated Doppler power flow analysis software on a standard cardiac ultrasound system utilizing novel matrix-array transducer technology with detailed description of system requirements, components and software contributing to the system. This system based on a 3.5 MHz, matrix-array cardiac ultrasound scanner (Sonos 5500, Philips Medical Systems) was validated by means of comprehensive experimental signal generator trials, in vitro flow phantom trials and in vivo testing in 48 patients with mitral regurgitation of different severity and etiology using magnetic resonance imaging (MRI) for reference. All measurements displayed good correlation to the reference values, indicating successful implementation of automated Doppler power flow analysis on a matrix-array ultrasound imaging system. Systematic underestimation of effective regurgitant orifice areas >0.65 cm(2) and volumes >40 ml was found due to currently limited Doppler beam width that could be readily overcome by the use of new generation 2D matrix-array technology. Automated flow quantification in valvular heart disease based on backscattered Doppler power can be fully implemented on board a routinely used matrix-array ultrasound imaging systems. Such automated Doppler power flow analysis of valvular regurgitant flow directly, noninvasively, and user independent overcomes the practical limitations of current techniques.

  13. Liquid contrabands classification based on energy dispersive X-ray diffraction and hybrid discriminant analysis

    International Nuclear Information System (INIS)

    YangDai, Tianyi; Zhang, Li

    2016-01-01

    Energy dispersive X-ray diffraction (EDXRD) combined with hybrid discriminant analysis (HDA) has been utilized for classifying the liquid materials for the first time. The XRD spectra of 37 kinds of liquid contrabands and daily supplies were obtained using an EDXRD test bed facility. The unique spectra of different samples reveal XRD's capability to distinguish liquid contrabands from daily supplies. In order to create a system to detect liquid contrabands, the diffraction spectra were subjected to HDA which is the combination of principal components analysis (PCA) and linear discriminant analysis (LDA). Experiments based on the leave-one-out method demonstrate that HDA is a practical method with higher classification accuracy and lower noise sensitivity than the other methods in this application. The study shows the great capability and potential of the combination of XRD and HDA for liquid contrabands classification.

  14. Liquid contrabands classification based on energy dispersive X-ray diffraction and hybrid discriminant analysis

    Energy Technology Data Exchange (ETDEWEB)

    YangDai, Tianyi [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Key Laboratory of Particle & Radiation Imaging (Tsinghua University), Ministry of Education (China); Zhang, Li, E-mail: zhangli@nuctech.com [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Key Laboratory of Particle & Radiation Imaging (Tsinghua University), Ministry of Education (China)

    2016-02-01

    Energy dispersive X-ray diffraction (EDXRD) combined with hybrid discriminant analysis (HDA) has been utilized for classifying the liquid materials for the first time. The XRD spectra of 37 kinds of liquid contrabands and daily supplies were obtained using an EDXRD test bed facility. The unique spectra of different samples reveal XRD's capability to distinguish liquid contrabands from daily supplies. In order to create a system to detect liquid contrabands, the diffraction spectra were subjected to HDA which is the combination of principal components analysis (PCA) and linear discriminant analysis (LDA). Experiments based on the leave-one-out method demonstrate that HDA is a practical method with higher classification accuracy and lower noise sensitivity than the other methods in this application. The study shows the great capability and potential of the combination of XRD and HDA for liquid contrabands classification.

  15. Liquid contrabands classification based on energy dispersive X-ray diffraction and hybrid discriminant analysis

    Science.gov (United States)

    YangDai, Tianyi; Zhang, Li

    2016-02-01

    Energy dispersive X-ray diffraction (EDXRD) combined with hybrid discriminant analysis (HDA) has been utilized for classifying the liquid materials for the first time. The XRD spectra of 37 kinds of liquid contrabands and daily supplies were obtained using an EDXRD test bed facility. The unique spectra of different samples reveal XRD's capability to distinguish liquid contrabands from daily supplies. In order to create a system to detect liquid contrabands, the diffraction spectra were subjected to HDA which is the combination of principal components analysis (PCA) and linear discriminant analysis (LDA). Experiments based on the leave-one-out method demonstrate that HDA is a practical method with higher classification accuracy and lower noise sensitivity than the other methods in this application. The study shows the great capability and potential of the combination of XRD and HDA for liquid contrabands classification.

  16. Theoretical Modeling and Analysis of L- and P-band Radar Backscatter Sensitivity to Soil Active Layer Dielectric Variations

    Directory of Open Access Journals (Sweden)

    Jinyang Du

    2015-07-01

    Full Text Available Freeze-thaw (FT and moisture dynamics within the soil active layer are critical elements of boreal, arctic and alpine ecosystems, and environmental change assessments. We evaluated the potential for detecting dielectric changes within different soil layers using combined L- and P-band radar remote sensing as a prerequisite for detecting FT and moisture profile changes within the soil active layer. A two-layer scattering model was developed and validated for simulating radar responses from vertically inhomogeneous soil. The model simulations indicated that inhomogeneity in the soil dielectric profile contributes to both L- and P-band backscatter, but with greater P-band sensitivity at depth. The difference in L- and P-band responses to soil dielectric profile inhomogeneity appears suitable for detecting associated changes in soil active layer conditions. Additional evaluation using collocated airborne radar (AIRSAR observations and in situ soil moisture measurements over alpine tundra indicates that combined L- and P-band SAR observations are sensitive to soil dielectric profile heterogeneity associated with variations in soil moisture and FT conditions.

  17. Investigation of ionic movements during anodic oxidation of superimposed metallic layers by the use of Rutherford backscattering techniques and nuclear micro analysis

    International Nuclear Information System (INIS)

    Perriere, J.; Siejka, J.; Rigo, S.

    1980-01-01

    Nuclear micro-analysis by the direct observation of nuclear reactions and of backscattered particles was used to study ionic movements during the anodization of superimposed metallic films (M 1 -M 2 systems). It has been shown that the order of cations is largely preserved during the anodization of Ta-Nb or Al-Nb systems while it is inverted in the case of Nb-Ta and Nb-Al systems. These results are discussed in terms of differences in jump probabilities of atoms. The oxygen movements in these systems were studied by 18 O tracing techniques; the results suggest that a correlation exists between oxygen and cationic migration during anodic oxide growth. The discussion of these results in terms of microscopic transport mechanisms is based on a neighbour to neighbour type propagation process for cationic as well as oxygen movement. (author)

  18. Measurement and QCD analysis of the diffractive deep-inelastic scattering cross section at HERA

    International Nuclear Information System (INIS)

    Aktas, A.; Andreev, V.; Anthonis, T.

    2006-05-01

    A detailed analysis is presented of the diffractive deep-inelastic scattering process ep→eXY, where Y is a proton or a low mass proton excitation carrying a fraction 1-x P >0.95 of the incident proton longitudinal momentum and the squared four-momentum transfer at the proton vertex satisfies t 2 . Using data taken by the H1 experiment, the cross section is measured for photon virtualities in the range 3.5 ≤Q 2 ≤1600 GeV 2 , triple differentially in x P , Q 2 and β=x/x P , where x is the Bjorken scaling variable. At low x P , the data are consistent with a factorisable x P dependence, which can be described by the exchange of an effective pomeron trajectory with intercept α P (0)=1.118 ±0.008(exp.) +0.029 -0.010 (model). Diffractive parton distribution functions and their uncertainties are determined from a next-to-leading order DGLAP QCD analysis of the Q 2 and β dependences of the cross section. The resulting gluon distribution carries an integrated fraction of around 70% of the exchanged momentum in the Q 2 range studied. Total and differential cross sections are also measured for the diffractive charged current process e + p → anti ν e XY and are found to be well described by predictions based on the diffractive parton distributions. The ratio of the diffractive to the inclusive neutral current ep cross sections is studied. Over most of the kinematic range, this ratio shows no significant dependence on Q 2 at fixed x P and x or on x at fixed Q 2 and β. (Orig.)

  19. Measurement and QCD analysis of the diffractive deep-inelastic scattering cross section at HERA

    Science.gov (United States)

    Aktas, A.; Andreev, V.; Anthonis, T.; Antunovic, B.; Aplin, S.; Asmone, A.; Astvatsatourov, A.; Babaev, A.; Backovic, S.; Baghdasaryan, A.; Baranov, P.; Barrelet, E.; Bartel, W.; Baudrand, S.; Baumgartner, S.; Beckingham, M.; Behnke, O.; Behrendt, O.; Belousov, A.; Berger, N.; Bizot, J. C.; Boenig, M.-O.; Boudry, V.; Bracinik, J.; Brandt, G.; Brisson, V.; Bruncko, D.; Büsser, F. W.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A. J.; Cassol-Brunner, F.; Cerny, K.; Cerny, V.; Chekelian, V.; Contreras, J. G.; Coughlan, J. A.; Coppens, Y. R.; Cox, B. E.; Cozzika, G.; Cvach, J.; Dainton, J. B.; Dau, W. D.; Daum, K.; de Boer, Y.; Delcourt, B.; Del Degan, M.; de Roeck, A.; de Wolf, E. A.; Diaconu, C.; Dodonov, V.; Dubak, A.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Eliseev, A.; Elsen, E.; Essenov, S.; Falkewicz, A.; Faulkner, P. J. W.; Favart, L.; Fedotov, A.; Felst, R.; Feltesse, J.; Ferencei, J.; Finke, L.; Fleischer, M.; Flucke, G.; Fomenko, A.; Franke, G.; Frisson, T.; Gabathuler, E.; Garutti, E.; Gayler, J.; Gerlich, C.; Ghazaryan, S.; Ginzburgskaya, S.; Glazov, A.; Glushkov, I.; Goerlich, L.; Goettlich, M.; Gogitidze, N.; Gorbounov, S.; Grab, C.; Greenshaw, T.; Gregori, M.; Grell, B. R.; Grindhammer, G.; Gwilliam, C.; Haidt, D.; Hansson, M.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Herrera, G.; Hildebrandt, M.; Hiller, K. H.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Hreus, T.; Hussain, S.; Ibbotson, M.; Ismail, M.; Jacquet, M.; Janssen, X.; Jemanov, V.; Jönsson, L.; Johnson, C. L.; Johnson, D. P.; Jung, A. W.; Jung, H.; Kapichine, M.; Katzy, J.; Kenyon, I. R.; Kiesling, C.; Klein, M.; Kleinwort, C.; Klimkovich, T.; Kluge, T.; Knies, G.; Knutsson, A.; Korbel, V.; Kostka, P.; Krastev, K.; Kretzschmar, J.; Kropivnitskaya, A.; Krüger, K.; Landon, M. P. J.; Lange, W.; Laštovička-Medin, G.; Laycock, P.; Lebedev, A.; Leibenguth, G.; Lendermann, V.; Levonian, S.; Lindfeld, L.; Lipka, K.; Liptaj, A.; List, B.; List, J.; Lobodzinska, E.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Lucaci-Timoce, A.-I.; Lueders, H.; Lux, T.; Lytkin, L.; Makankine, A.; Malden, N.; Malinovski, E.; Marage, P.; Marshall, R.; Marti, L.; Martisikova, M.; Martyn, H.-U.; Maxfield, S. J.; Mehta, A.; Meier, K.; Meyer, A. B.; Meyer, H.; Meyer, J.; Michels, V.; Mikocki, S.; Milcewicz-Mika, I.; Milstead, D.; Mladenov, D.; Mohamed, A.; Moreau, F.; Morozov, A.; Morris, J. V.; Mozer, M. U.; Müller, K.; Murín, P.; Nankov, K.; Naroska, B.; Naumann, T.; Newman, P. R.; Niebuhr, C.; Nikiforov, A.; Nowak, G.; Nowak, K.; Nozicka, M.; Oganezov, R.; Olivier, B.; Olsson, J. E.; Osman, S.; Ozerov, D.; Palichik, V.; Panagoulias, I.; Papadopoulou, T.; Pascaud, C.; Patel, G. D.; Peng, H.; Perez, E.; Perez-Astudillo, D.; Perieanu, A.; Petrukhin, A.; Pitzl, D.; Plačakytė, R.; Portheault, B.; Povh, B.; Prideaux, P.; Rahmat, A. J.; Raicevic, N.; Reimer, P.; Rimmer, A.; Risler, C.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rurikova, Z.; Rusakov, S.; Salvaire, F.; Sankey, D. P. C.; Sauter, M.; Sauvan, E.; Schilling, F.-P.; Schmidt, S.; Schmitt, S.; Schmitz, C.; Schoeffel, L.; Schöning, A.; Schultz-Coulon, H.-C.; Sefkow, F.; Shaw-West, R. N.; Sheviakov, I.; Shtarkov, L. N.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, A.; Steder, M.; Stella, B.; Stiewe, J.; Stoilov, A.; Straumann, U.; Sunar, D.; Tchoulakov, V.; Thompson, G.; Thompson, P. D.; Toll, T.; Tomasz, F.; Traynor, D.; Trinh, T. N.; Truöl, P.; Tsakov, I.; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Tzamariudaki, E.; Urban, K.; Urban, M.; Usik, A.; Utkin, D.; Valkárová, A.; Vallée, C.; van Mechelen, P.; Vargas Trevino, A.; Vazdik, Y.; Veelken, C.; Vinokurova, S.; Volchinski, V.; Wacker, K.; Weber, G.; Weber, R.; Wegener, D.; Werner, C.; Wessels, M.; Wessling, B.; Wissing, C.; Wolf, R.; Wünsch, E.; Xella, S.; Yan, W.; Yeganov, V.; Žáček, J.; Zálešák, J.; Zhang, Z.; Zhelezov, A.; Zhokin, A.; Zhu, Y. C.; Zimmermann, J.; Zimmermann, T.; Zohrabyan, H.; Zomer, F.

    2006-12-01

    A detailed analysis is presented of the diffractive deep-inelastic scattering process ep→eXY, where Y is a proton or a low mass proton excitation carrying a fraction 1-xIP>0.95 of the incident proton longitudinal momentum and the squared four-momentum transfer at the proton vertex satisfies |t|<1 GeV2. Using data taken by the H1 experiment, the cross section is measured for photon virtualities in the range 3.5≤Q2≤1600 GeV2, triple differentially in xIP, Q2 and β=x/xIP, where x is the Bjorken scaling variable. At low xIP, the data are consistent with a factorisable xIP dependence, which can be described by the exchange of an effective pomeron trajectory with intercept αIP(0)=1.118±0.008(exp.)+0.029 -0.010(model). Diffractive parton distribution functions and their uncertainties are determined from a next-to-leading order DGLAP QCD analysis of the Q2 and β dependences of the cross section. The resulting gluon distribution carries an integrated fraction of around 70% of the exchanged momentum in the Q2 range studied. Total and differential cross sections are also measured for the diffractive charged current process e+p→ν¯eXY and are found to be well described by predictions based on the diffractive parton distributions. The ratio of the diffractive to the inclusive neutral current ep cross sections is studied. Over most of the kinematic range, this ratio shows no significant dependence on Q2 at fixed xIP and x or on x at fixed Q2 and β.

  20. Circular Hough transform diffraction analysis: A software tool for automated measurement of selected area electron diffraction patterns within Digital MicrographTM

    International Nuclear Information System (INIS)

    Mitchell, D.R.G.

    2008-01-01

    A software tool (script and plugin) for computing circular Hough transforms (CHT) in Digital Micrograph TM has been developed, for the purpose of automated analysis of selected area electron diffraction patterns (SADPs) of polycrystalline materials. The CHT enables the diffraction pattern centre to be determined with sub-pixel accuracy, regardless of the exposure condition of the transmitted beam or if a beam stop is present. Radii of the diffraction rings can also be accurately measured with sub-pixel precision. If the pattern is calibrated against a known camera length, then d-spacings with an accuracy of better than 1% can be obtained. These measurements require no a priori knowledge of the pattern and very limited user interaction. The accuracy of the CHT is degraded by distortion introduced by the projector lens, and this should be minimised prior to pattern acquisition. A number of optimisations in the CHT software enable rapid processing of patterns; a typical analysis of a 1kx1k image taking just a few minutes. The CHT tool appears robust and is even able to accurately measure SADPs with very incomplete diffraction rings due to texture effects. This software tool is freely downloadable via the Internet

  1. Circular Hough transform diffraction analysis: A software tool for automated measurement of selected area electron diffraction patterns within Digital Micrograph{sup TM}

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, D.R.G. [Institute of Materials and Engineering Science, ANSTO, PMB 1, Menai, NSW 2234 (Australia)], E-mail: drm@ansto.gov.au

    2008-03-15

    A software tool (script and plugin) for computing circular Hough transforms (CHT) in Digital Micrograph{sup TM} has been developed, for the purpose of automated analysis of selected area electron diffraction patterns (SADPs) of polycrystalline materials. The CHT enables the diffraction pattern centre to be determined with sub-pixel accuracy, regardless of the exposure condition of the transmitted beam or if a beam stop is present. Radii of the diffraction rings can also be accurately measured with sub-pixel precision. If the pattern is calibrated against a known camera length, then d-spacings with an accuracy of better than 1% can be obtained. These measurements require no a priori knowledge of the pattern and very limited user interaction. The accuracy of the CHT is degraded by distortion introduced by the projector lens, and this should be minimised prior to pattern acquisition. A number of optimisations in the CHT software enable rapid processing of patterns; a typical analysis of a 1kx1k image taking just a few minutes. The CHT tool appears robust and is even able to accurately measure SADPs with very incomplete diffraction rings due to texture effects. This software tool is freely downloadable via the Internet.

  2. Crystallization and preliminary X-ray diffraction analysis of red clover necrotic mosaic virus

    International Nuclear Information System (INIS)

    Martin, Stanton L.; Guenther, Richard H.; Sit, Tim L.; Swartz, Paul D.; Meilleur, Flora; Lommel, Steven A.; Rose, Robert B.

    2010-01-01

    Virions of red clover necrotic mosaic virus have been purified and crystallized. The space group was determined to be I23, with unit-cell parameter a = 377.8 Å. The crystals diffracted to 4 Å resolution. Red clover necrotic mosaic virus (RCNMV) is a species that belongs to the Tombusviridae family of plant viruses with a T = 3 icosahedral capsid. RCNMV virions were purified and were crystallized for X-ray analysis using the hanging-drop vapor-diffusion method. Self-rotation functions and systematic absences identified the space group as I23, with two virions in the unit cell. The crystals diffracted to better than 4 Å resolution but were very radiation-sensitive, causing rapid decay of the high-resolution reflections. The data were processed to 6 Å in the analysis presented here

  3. Residual Stress Analysis for Engineering Applications by Means of Neutron Diffraction

    International Nuclear Information System (INIS)

    Gndupel-Herold, Thomas; Brand, Paul C.; Prask, Henry J.

    1999-01-01

    The economic and scientific importance of neutron diffraction residual stress analysis has led to an increasing number of suitable instruments worldwide. Recently, a dedicated state-of-the-art diffractometer has been installed at the National Institute of Standards and Technology reactor. It has been used for a variety of measurements on basic and engineering stress problems. Among the most prominent examples that have been investigated are residual stresses in rails, weldments, and plasma-sprayed coatings

  4. Direct detection of near-surface faults by migration of back-scattered surface waves

    KAUST Repository

    Yu, Han; Guo, Bowen; Hanafy, Sherif; Lin, Fan-Chi; Schuster, Gerard T.

    2014-01-01

    We show that diffraction stack migration can be used to estimate the distribution of near-surface faults. The assumption is that near-surface faults generate detectable back-scattered surface waves from impinging surface waves. The processing steps

  5. Crystals of DhaA mutants from Rhodococcus rhodochrous NCIMB 13064 diffracted to ultrahigh resolution: crystallization and preliminary diffraction analysis

    International Nuclear Information System (INIS)

    Stsiapanava, Alena; Koudelakova, Tana; Lapkouski, Mikalai; Pavlova, Martina; Damborsky, Jiri; Kuta Smatanova, Ivana

    2008-01-01

    Three mutants of the haloalkane dehalogenase DhaA derived from R. rhodochrous NCIMB 13064 were crystallized and diffracted to ultrahigh resolution. The enzyme DhaA from Rhodococcus rhodochrous NCIMB 13064 belongs to the haloalkane dehalogenases, which catalyze the hydrolysis of haloalkanes to the corresponding alcohols. The haloalkane dehalogenase DhaA and its variants can be used to detoxify the industrial pollutant 1,2,3-trichloropropane (TCP). Three mutants named DhaA04, DhaA14 and DhaA15 were constructed in order to study the importance of tunnels connecting the buried active site with the surrounding solvent to the enzymatic activity. All protein mutants were crystallized using the sitting-drop vapour-diffusion method. The crystals of DhaA04 belonged to the orthorhombic space group P2 1 2 1 2 1 , while the crystals of the other two mutants DhaA14 and DhaA15 belonged to the triclinic space group P1. Native data sets were collected for the DhaA04, DhaA14 and DhaA15 mutants at beamline X11 of EMBL, DESY, Hamburg to the high resolutions of 1.30, 0.95 and 1.15 Å, respectively

  6. AUSPEX: a graphical tool for X-ray diffraction data analysis.

    Science.gov (United States)

    Thorn, Andrea; Parkhurst, James; Emsley, Paul; Nicholls, Robert A; Vollmar, Melanie; Evans, Gwyndaf; Murshudov, Garib N

    2017-09-01

    In this paper, AUSPEX, a new software tool for experimental X-ray data analysis, is presented. Exploring the behaviour of diffraction intensities and the associated estimated uncertainties facilitates the discovery of underlying problems and can help users to improve their data acquisition and processing in order to obtain better structural models. The program enables users to inspect the distribution of observed intensities (or amplitudes) against resolution as well as the associated estimated uncertainties (sigmas). It is demonstrated how AUSPEX can be used to visually and automatically detect ice-ring artefacts in integrated X-ray diffraction data. Such artefacts can hamper structure determination, but may be difficult to identify from the raw diffraction images produced by modern pixel detectors. The analysis suggests that a significant portion of the data sets deposited in the PDB contain ice-ring artefacts. Furthermore, it is demonstrated how other problems in experimental X-ray data caused, for example, by scaling and data-conversion procedures can be detected by AUSPEX.

  7. The purification, crystallization and preliminary X-ray diffraction analysis of dihydrodipicolinate synthase from Clostridium botulinum

    International Nuclear Information System (INIS)

    Dobson, Renwick C. J.; Atkinson, Sarah C.; Gorman, Michael A.; Newman, Janet M.; Parker, Michael W.; Perugini, Matthew A.

    2008-01-01

    Dihydrodipicolinate synthase (DHDPS), an enzyme in the lysine-biosynthetic pathway, is a promising target for antibiotic development against pathogenic bacteria. Here, the expression, purification, crystallization and preliminary diffraction analysis of DHDPS from C. botulinum are reported. In recent years, dihydrodipicolinate synthase (DHDPS; EC 4.2.1.52) has received considerable attention from both mechanistic and structural viewpoints. This enzyme, which is part of the diaminopimelate pathway leading to lysine, couples (S)-aspartate-β-semialdehyde with pyruvate via a Schiff base to a conserved active-site lysine. In this paper, the expression, purification, crystallization and preliminary X-ray diffraction analysis of DHDPS from Clostridium botulinum, an important bacterial pathogen, are presented. The enzyme was crystallized in a number of forms, predominantly using PEG precipitants, with the best crystal diffracting to beyond 1.9 Å resolution and displaying P4 2 2 1 2 symmetry. The unit-cell parameters were a = b = 92.9, c = 60.4 Å. The crystal volume per protein weight (V M ) was 2.07 Å 3 Da −1 , with an estimated solvent content of 41%. The structure of the enzyme will help guide the design of novel therapeutics against the C. botulinum pathogen

  8. Crystallization and preliminary X-ray diffraction analysis of diaminopimelate epimerase from Escherichia coli

    International Nuclear Information System (INIS)

    Hor, Lilian; Dobson, Renwick C. J.; Dogovski, Con; Hutton, Craig A.; Perugini, Matthew A.

    2009-01-01

    Diaminopimelate (DAP) epimerase, an enzyme in the lysine-biosynthetic pathway, is a promising target for antibiotic development against pathogenic bacteria. Here, the cloning, expression, purification, crystallization and preliminary diffraction analysis of DAP epimerase from E. coli are reported. Diaminopimelate (DAP) epimerase (EC 5.1.1.7) catalyzes the penultimate step of lysine biosynthesis in bacteria and plants, converting l,l-diaminopimelate to meso-diaminopimelate. Here, the cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of DAP epimerase from Escherichia coli are presented. Crystals were obtained in space group P4 1 2 1 2 and diffracted to 2.0 Å resolution, with unit-cell parameters a = b = 89.4, c = 179.6 Å. Molecular replacement was conducted using Bacillus anthracis DAP epimerase as a search model and showed the presence of two molecules in the asymmetric unit, with an initial R free of 0.456 and R work of 0.416

  9. Quantitative strain analysis of surfaces and interfaces using extremely asymmetric x-ray diffraction

    International Nuclear Information System (INIS)

    Akimoto, Koichi; Emoto, Takashi

    2010-01-01

    Strain can reduce carrier mobility and the reliability of electronic devices and affect the growth mode of thin films and the stability of nanometer-scale crystals. To control lattice strain, a technique for measuring the minute lattice strain at surfaces and interfaces is needed. Recently, an extremely asymmetric x-ray diffraction method has been developed for this purpose. By employing Darwin's dynamical x-ray diffraction theory, quantitative evaluation of strain at surfaces and interfaces becomes possible. In this paper, we review our quantitative strain analysis studies on native SiO 2 /Si interfaces, reconstructed Si surfaces, Ni/Si(111)-H interfaces, sputtered III-V compound semiconductor surfaces, high-k/Si interfaces, and Au ion-implanted Si. (topical review)

  10. Applications of the Warren-Averbach method of X-ray diffraction line profile analysis

    International Nuclear Information System (INIS)

    Ichikawa, Rodrigo Uchida

    2013-01-01

    The objective of this work was to develop and implement a methodology of X-ray Line Profile Analysis (XLPA) for the study and determination of the mean crystallite sizes and microstrains in materials. A computer program was developed to speed up the treatment of diffraction peaks and perform the deconvolution utilizing the Stokes method to correct the instrumental contribution in the X-ray diffraction measurements. The XLPA methods used were the Scherrer, Williamson-Hall and Single-Line methods, which can be called real space methods, and the Fourier space method of Warren-Averbach. Furthermore, considering a mathematical modelling it was possible to calculate the crystallite size distribution, considering the log-normal distribution and spherical crystallites. It was possible to demonstrate the proposed theory can provide reliable results evaluating a dispersion parameter. The methodologies described above were applied in two distinct materials: in the alloy Zircaloy-4 and in ZnO. (author)

  11. Atomic-layer-resolved analysis of surface magnetism by diffraction spectroscopy

    International Nuclear Information System (INIS)

    Matsui, Fumihiko; Matsushita, Tomohiro; Daimon, Hiroshi

    2010-01-01

    X-ray absorption near edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) measurements by Auger-electron-yield detection are powerful analysis tools for the electronic and magnetic structures of surfaces, but all the information from atoms within the electron mean-free-path range is summed into the obtained spectrum. In order to investigate the electronic and magnetic structures of each atomic layer at subsurface, we have proposed a new method, diffraction spectroscopy, which is the combination of X-ray absorption spectroscopy and Auger electron diffraction (AED). From a series of measured thickness dependent AED patterns, we deduced a set of atomic-layer-specific AED patterns arithmetically. Based on these AED patterns, we succeeded in disentangling obtained XANES and XMCD spectra into those from different atomic layers.

  12. Proton backscatter as a means of mass normalization in PIXE scanning of human hair

    International Nuclear Information System (INIS)

    Russell, S.B.; Gibson, R.S.; Faiq, S.; Campbell, J.L.

    1981-01-01

    Variations in linear density along a given hair can cause changes in X-ray intensity which do not reflect elemental concentration changes. Hairs from different subjects vary by a factor approx. 5 in linear density, so that very different X-ray intensities need not necessarily reflect different concentrations. We investigate the usefulness of the backscattered proton intensity as a means of determining the mass undergoing PIXE analysis. Specimen damage can be avoided in the BS measurement via low currents without loss of statistics. A correlation is found between BS intensity and mass, but a laser diffraction measurement of the hair diameter provides an equally satisfactory mass determination. (orig.)

  13. Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data

    DEFF Research Database (Denmark)

    Gorelik, Tatiana E; van de Streek, Jacco; Kilbinger, Andreas F M

    2012-01-01

    Ab-initio crystal structure analysis of organic materials from electron diffraction data is presented. The data were collected using the automated electron diffraction tomography (ADT) technique. The structure solution and refinement route is first validated on the basis of the known crystal stru...

  14. X-ray diffraction analysis and in vitro characterization of the UAM2 protein from Oryza sativa

    DEFF Research Database (Denmark)

    Welner, Ditte Hededam; Tsai, Alex Yi-Lin; DeGiovanni, Andy M.

    2017-01-01

    protein from Oryza sativa (OsUAM2) were undertaken. Here, X-ray diffraction data are reported, as well as analysis of the oligomeric state in the crystal and in solution. OsUAM2 crystallizes readily but forms highly radiation-sensitive crystals with limited diffraction power, requiring careful low......, a requirement for a structural metal ion....

  15. A X-ray diffraction analysis on graphene layers of Assam coal

    Energy Technology Data Exchange (ETDEWEB)

    Saikia, B.K.; Boruah, R.K.; Gogoi, P.K. [CSIR, Jorhat (India)

    2009-01-15

    The so-called turbostatic structure of carbons in coal with randomly oriented stacking of the lamellae (graphene) produces intense peaks, which are the dominant features in its X-ray diffraction profiles. The diffractogram may be conveniently divided into two regions of reciprocal space, the medium S region (1 < S < 3 {angstrom}) and a high S region (S > 3 {angstrom}) where S = 4 {pi} {lambda} {sup -1}sin{theta}. To better understand the molecular level structure of high sulphur Assam coal, two coal samples (Tirap-1 and Tirap-2) from Tirap colliery of Makum coalfield, Assam (India) has been interpreted in this study by using the X-ray diffraction profiles. Random layered (graphene) structural parameters of these coals were determined by using X-ray diffraction technique, which showed that the L{sub a} and L{sub c} are 64.99 angstrom and 22.63 angstrom for Tirap-2 and 55.54 angstrom and 23.80 angstrom for that of Tirap-1 coals respectively. The position of {gamma} band was found to be at 4.34 {angstrom} and 4.13 angstrom for Tirap-2 and Tirap-1 coals respectively. The number of layers and average number of carbon atoms (N) per aromatic graphene were found to be 21 and 8 for both the coal samples. Proximate, ultimate and ash analysis of the two coal samples were also carried out in this investigation.

  16. The materials science synchrotron beamline EDDI for energy-dispersive diffraction analysis

    International Nuclear Information System (INIS)

    Genzel, Ch.; Denks, I.A.; Gibmeier, J.; Klaus, M.; Wagener, G.

    2007-01-01

    In April 2005 the materials science beamline EDDI (Energy Dispersive DIffraction) at the Berlin synchrotron storage ring BESSY started operation. The beamline is operated in the energy-dispersive mode of diffraction using the high energy white photon beam provided by a superconducting 7 T multipole wiggler. Starting from basic information on the beamline set-up, its measuring facilities and data processing concept, the wide range of applications for energy-dispersive diffraction is demonstrated by a series of examples coming from different fields in materials sciences. It will be shown, that the EDDI beamline is especially suitable for the investigation of structural properties and gradients in the near surface region of polycrystalline materials. In particular, this concerns the analysis of multiaxial residual stress fields in the highly stressed surface zone of technical parts. The high photon flux further facilitates fast in situ experiments at room as well as high temperature to monitor for example the growth kinetics and reaction in thin film growth

  17. Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206

    International Nuclear Information System (INIS)

    Liang, Yu; Choo, Siew Hua; Rossbach, Michael; Baburajendran, Nithya; Palasingam, Paaventhan; Kolatkar, Prasanna R

    2012-01-01

    Crystals of the SCAN domain of Zfp206 are tetragonal, belonging to space group I422 with unit-cell parameters a = 67.57, c = 87.54 Å and one molecule in the asymmetric unit, and diffract to 1.85 Å resolution. Zfp206 (also named Zscan10) is a transcription factor that plays an important role in maintaining the pluripotent state of embryonic stem cells. Zfp206 is a member of the SCAN-domain family of C 2 H 2 zinc-finger transcription factors. The SCAN domain is a highly conserved motif of 84 residues which mediates the self-association of and heterodimerization between SCAN-domain family transcription factors. The SCAN domain may therefore be the key to the selective oligomerization of and may combinatorially enhance the regulatory versatility of C 2 H 2 zinc fingers. This paper describes crystallization attempts with the SCAN domain of Zfp206 (Zfp206SCAN) and optimization strategies to obtain diffraction-quality crystals. The best diffracting crystal was grown in a solution consisting of 0.3 M ammonium sulfate, 0.1 M Tris–HCl pH 8.6, 25% PEG 3350, 0.1 M ethylenediaminetetraacetic acid disodium salt dehydrate (EDTA) using the hanging-drop vapour-diffusion technique. Optimized crystals diffracted to 1.85 Å resolution and belonged to space group I422, with unit-cell parameters a = 67.57, c = 87.54 Å. A Matthews analysis indicated the presence of one Zfp206SCAN molecule per asymmetric unit

  18. Comparison of dissimilarity measures for cluster analysis of X-ray diffraction data from combinatorial libraries

    Science.gov (United States)

    Iwasaki, Yuma; Kusne, A. Gilad; Takeuchi, Ichiro

    2017-12-01

    Machine learning techniques have proven invaluable to manage the ever growing volume of materials research data produced as developments continue in high-throughput materials simulation, fabrication, and characterization. In particular, machine learning techniques have been demonstrated for their utility in rapidly and automatically identifying potential composition-phase maps from structural data characterization of composition spread libraries, enabling rapid materials fabrication-structure-property analysis and functional materials discovery. A key issue in development of an automated phase-diagram determination method is the choice of dissimilarity measure, or kernel function. The desired measure reduces the impact of confounding structural data issues on analysis performance. The issues include peak height changes and peak shifting due to lattice constant change as a function of composition. In this work, we investigate the choice of dissimilarity measure in X-ray diffraction-based structure analysis and the choice of measure's performance impact on automatic composition-phase map determination. Nine dissimilarity measures are investigated for their impact in analyzing X-ray diffraction patterns for a Fe-Co-Ni ternary alloy composition spread. The cosine, Pearson correlation coefficient, and Jensen-Shannon divergence measures are shown to provide the best performance in the presence of peak height change and peak shifting (due to lattice constant change) when the magnitude of peak shifting is unknown. With prior knowledge of the maximum peak shifting, dynamic time warping in a normalized constrained mode provides the best performance. This work also serves to demonstrate a strategy for rapid analysis of a large number of X-ray diffraction patterns in general beyond data from combinatorial libraries.

  19. The use of ion beam analysis in the synthesis of materials. A review of the determination of light elements by high-energy resonant backscattering

    International Nuclear Information System (INIS)

    Nastasi, M.

    1999-01-01

    For the ion synthesis of materials plasma inversion ion processing (PIIP) technology, has been applied in the framework of materials science research. The characteristics of this technique are discussed. PIIP has been complemented and compared with alpha-particle Rutherford Backscattering Spectrometry (RBS) High-energy Backscattering Spectrometry (HEBS) is the third material testing method for comparison. Examples for each technology are presented and discussed. (R.P.)

  20. Corneal Backscatter Analysis by In Vivo Confocal Microscopy: Fellow Eye Comparison of Small Incision Lenticule Extraction and Femtosecond Laser-Assisted LASIK

    Directory of Open Access Journals (Sweden)

    Alper Agca

    2014-01-01

    Full Text Available Purpose. To evaluate and compare corneal backscatter from anterior stroma between small incision lenticule extraction (SMILE and femtosecond laser-assisted LASIK (femto-LASIK. Methods. A cohort of 60 eyes of 30 patients was randomized to receive SMILE in one eye and femto-LASIK in the fellow eye. In vivo confocal microscopy was performed at 1 week and 1, 3, and 6 months after surgery. The main outcome measurements were maximum backscattered intensity and the depth from which it was measured, the backscattered light intensity 30 μm below Bowman’s membrane at the flap interface and 150 μm below the superficial epithelium, and the number of refractive particles at the flap interface. Results. The mean backscattered light intensity (LI at all measured depths and the maximum backscattered LI were higher in the SMILE group than the femto-LASIK group at all postoperative visits. LI differences at 1 week and 1- and 3-month visits were statistically significant (P<0,05. LI differences at 6 months were not statistically significant. There was no difference in the number of refractive particles at the flap interface between the groups at any visit. Conclusions. SMILE results in increased backscattered LI in the anterior stroma when compared with femto-LASIK were evaluated.

  1. The potential of materials analysis by electron rutherford backscattering as illustrated by a case study of mouse bones and related compounds.

    Science.gov (United States)

    Vos, Maarten; Tökési, Károly; Benkö, Ilona

    2013-06-01

    Electron Rutherford backscattering (ERBS) is a new technique that could be developed into a tool for materials analysis. Here we try to establish a methodology for the use of ERBS for materials analysis of more complex samples using bone minerals as a test case. For this purpose, we also studied several reference samples containing Ca: calcium carbonate (CaCO(3)) and hydroxyapatite and mouse bone powder. A very good understanding of the spectra of CaCO(3) and hydroxyapatite was obtained. Quantitative interpretation of the bone spectrum is more challenging. A good fit of these spectra is only obtained with the same peak widths as used for the hydroxyapatite sample, if one allows for the presence of impurity atoms with a mass close to that of Na and Mg. Our conclusion is that a meaningful interpretation of spectra of more complex samples in terms of composition is indeed possible, but only if widths of the peaks contributing to the spectra are known. Knowledge of the peak widths can either be developed by the study of reference samples (as was done here) or potentially be derived from theory.

  2. Data analysis of a polycrystalline nickel sample obtained with neutron diffraction

    International Nuclear Information System (INIS)

    Parente, C.B.R.; Mazzochi, V.L.; Araujo Kaschny, J.R. de; Costa, M.S. da; Rizzo, P.; Campos, W.M.S.

    1990-01-01

    A simple analysis of the nickel structure was made. Neutron diffraction data were used, obtained with polycrystalline nickel placed in a cylindrical sample-holder with dimensions of 1,5cm of diameter and 5cm of height. The theoretical intensities were calculated of 3 forms: 1. without considering the temperature and obsorption effects, 2. considering only the temperature effect and 3. considering both the temperature and absorption effects. The disagreement factors found in this 3 cases were, respectively, R 1 = 13.4%, R 2 = 7,7% e R 3 = 7,5%. (L.C.)

  3. Quantitative X-ray diffraction analysis of alumina, silicon carbide and zirconium carbide in ceramic composites

    International Nuclear Information System (INIS)

    Veiga, Sonia M.B.; Bressiani, Jose Carlos; Veiga, Marcello M.; Chaklader, Asoke C.D.

    1995-01-01

    The x-ray diffraction technique has been successfully applied to determine the phases formed in a carbo thermal synthesis of ceramic composites (Al 2 O 3 -Si C and Al 2 O 3 -Si C-Zr C) using kaolinite, cyanite and zircon as precursors. The powder method using fluorite as internal standard has shown reliable results to estimate accurately phases in composites (relative error as low as 5%). In addition, quantitative X-ray analysis allows an indirect evaluation of Si O (gas) losses from the system during the carbo thermal reaction. (author)

  4. Measurement and analysis of field-induced crystallographic texture using curved position-sensitive diffraction detectors

    DEFF Research Database (Denmark)

    Simons, Hugh; Daniels, John E.; Studer, Andrew J.

    2014-01-01

    This paper outlines measurement and analysis methodologies created for determining the structural responses of electroceramics to an electric field. A sample stage is developed to apply electric fields to ceramic materials at elevated temperatures during neutron diffraction experiments. The tested...... employing a curved positive sensitive detector. Methodologies are proposed to account for the geometrical effects when vector fields are applied to textured materials with angularly dispersive detector geometries. Representative results are presented for the ferroelectric (Bi1/2Na1/2)TiO3-6%BaTiO3 (BNT-6BT...

  5. Hybrid Powder - Single Crystal X-Ray Diffraction Instrument for Planetary Mineralogical Analysis of Unprepared Samples, Phase I

    Data.gov (United States)

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

  6. A standardless method of quantitative ceramic analysis using X-ray powder diffraction

    International Nuclear Information System (INIS)

    Mazumdar, S.

    1999-01-01

    A new procedure using X-ray powder diffraction data for quantitative estimation of the crystalline as well as the amorphous phase in ceramics is described. Classification of the crystalline and amorphous X-ray scattering was achieved by comparison of the slopes at two successive points of the powder pattern at scattering angles at which the crystalline and amorphous phases superimpose. If the second slope exceeds the first by a stipulated value, the intensity is taken as crystalline; otherwise the scattering is considered as amorphous. Crystalline phase analysis is obtained by linear programming techniques using the concept that each observed X-ray diffraction peak has contributions from n component phases, the proportionate analysis of which is required. The method does not require the measurement of calibration data for use as an internal standard, but knowledge of the approximate crystal structure of each phase of interest in the mixture is necessary. The technique is also helpful in qualitative analysis because each suspected phase is characterized by the probability that it will be present when a reflection zone is considered in which the suspected crystalline phase could contribute. The amorphous phases are determined prior to the crystalline ones. The method is applied to ceramic materials and some results are presented. (orig.)

  7. A Monte Carlo error simulation applied to calibration-free X-ray diffraction phase analysis

    International Nuclear Information System (INIS)

    Braun, G.E.

    1986-01-01

    Quantitative phase analysis of a system of n phases can be effected without the need for calibration standards provided at least n different mixtures of these phases are available. A series of linear equations relating diffracted X-ray intensities, weight fractions and quantitation factors coupled with mass balance relationships can be solved for the unknown weight fractions and factors. Uncertainties associated with the measured X-ray intensities, owing to counting of random X-ray quanta, are used to estimate the errors in the calculated parameters utilizing a Monte Carlo simulation. The Monte Carlo approach can be generalized and applied to any quantitative X-ray diffraction phase analysis method. Two examples utilizing mixtures of CaCO 3 , Fe 2 O 3 and CaF 2 with an α-SiO 2 (quartz) internal standard illustrate the quantitative method and corresponding error analysis. One example is well conditioned; the other is poorly conditioned and, therefore, very sensitive to errors in the measured intensities. (orig.)

  8. Analysis of rocks involving the x-ray diffraction, infrared and thermal gravimetric techniques

    International Nuclear Information System (INIS)

    Ikram, M.; Rauf, M.A.; Munir, N.

    1998-01-01

    Chemical analysis of rocks and minerals are usually obtained by a number of analytical techniques. The purpose of present work is to investigate the chemical composition of the rock samples and also to find that how far the results obtained by different instrumental methods are closely related. Chemical tests wee performed before using the instrumental techniques in order to determined the nature of these rocks. The chemical analysis indicated mainly the presence of carbonate and hence the carbonate nature of these rocks. The x-ray diffraction, infrared spectroscopy and thermal gravimetric analysis techniques were used for the determination of chemical composition of these samples. The results obtained by using these techniques have shown a great deal of similarities. (author)

  9. Lattice location of O{sup 18} in ion implanted Fe crystals by Rutherford backscattering spectrometry, channeling and nuclear reaction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Vairavel, Mathayan; Sundaravel, Balakrishnan, E-mail: bsundar@igcar.gov.in; Panigrahi, Binaykumar

    2016-09-15

    There are contradictory theoretical predictions of lattice location of oxygen interstitial atom at tetrahedral and octahedral interstices in bcc Fe. For validating these predictions, 300 keV O{sup 18} ions with fluence of 5 × 10{sup 15} ions/cm{sup 2} are implanted into bcc Fe single crystals at room temperature and annealed at 400 °C. The Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA)/channeling measurements are carried out with 850 keV protons. The lattice location of implanted O{sup 18} is analysed using the α-particles yield from O{sup 18}(p,α)N{sup 15} nuclear reaction. The tilt angular scans of α-particle yield along 〈110〉 and 〈100〉 axial directions are performed at room temperature. Lattice location of O{sup 18} is found to be at tetrahedral interstitial site by comparing the experimental scan with simulated scans using FLUX7 software.

  10. 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.

  11. Powder diffraction

    International Nuclear Information System (INIS)

    Hart, M.

    1995-01-01

    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

  12. Characterization of the Roraima savanna across of X-ray diffraction, thermomagnetic analysis and Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Gilmar A.; Araujo, R.C.; Sergio, C.S. [Universidade Federal de Roraima (UFRR), Boa Vista, RR (Brazil)

    2012-07-01

    Full text: The technique of X-ray diffraction has great resolving power to determine the phases present in crystalline material, thereby enabling it to determine the elements present in the materials as well as changes in structure that they can suffer when subjected to various physical processes and/or chemical means. The research had as objective to characterize the mineralogy of iron oxides, silicon, aluminum and other minerals in the soil of five points of the Roraima savannah. The points where samples were collected are five municipalities in the state of Roraima. The area of sampling is part of the savanna in Roraima. The samples were collected. We analyzed samples from five points from the collection of natural soil in the locations listed. The samples were placed in a mill to a uniform grain size. After the milling process, the magnetic material was separated using a permanent magnet. Then the samples were analyzed by x-ray diffraction, thermomagnetic analysis and Moessbauer spectroscopy. Preliminary results of XRD showed the occurrence of phases of oxides of iron, silicon, aluminum and other phases less. Thermomagnetic analysis show that the magnetic phases are magnetite and hematite. The results of the Moessbauer spectroscopy indicates the reliability in the two prior art and confirmed the presence of the phases of oxides of iron present in the soil analyzed. (author)

  13. X-ray diffraction analysis of synthesized silver nanohexagon for the study of their mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Das, Ratan, E-mail: dasratanphy@gmail.com; Sarkar, Sumit, E-mail: sarkarsumit07phy@gmail.com

    2015-11-01

    Silver nanohexagons have been prepared through the chemical reduction method using poly(vinyl pyrrolidone) (PVP) as a capping agent. High Resolution Transmission Electron Microscopic (HRTEM) study shows that average size of the prepared silver nanoparticles is 45 nm approximately with nearly hexagon shape. The peaks in the X-Ray Diffraction (XRD) pattern are in good agreement with that of face centered cubic structure. Williamson–Hall plots (W–H plot) have been analyzed to study the crystalline size and lattice strain considering the peak broadening of the AgNHs. The mechanical properties such as strain, stress and energy density of prepared nanohexagon have been calculated assuming uniform deformation model (UDM), uniform stress deformation model (USDM), and uniform deformation energy density model (UDEDM) and size–strain plot method (SSP). From all these results, it is found that the size and strain estimated from W–H analysis and SSP method are in good agreement. - Highlights: • PVP capped silver nanohexagons have been synthesized by chemical reduction method. • HRTEM images show that the average size of the prepared nanohexagons is 45 nm. • X-ray diffraction study confirms the crystallinity of silver nanohexagons. • Elastic properties have been calculated by W–H analysis using different models. • Further, the results from UDM, USDM, and UDEDM matches with SSP method.

  14. Measurement and QCD Analysis of the Diffractive Deep-Inelastic Scattering Cross Section at HERA

    CERN Document Server

    Aktas, A.; Anthonis, T.; Antunovic, B.; Aplin, S.; Asmone, A.; Astvatsatourov, A.; Babaev, A.; Backovic, S.; Baghdasaryan, A.; Baranov, P.; Barrelet, E.; Bartel, W.; Baudrand, S.; Baumgartner, S.; Beckingham, M.; Behnke, O.; Behrendt, O.; Belousov, A.; Berger, N.; Bizot, J.C.; Boenig, M.O.; Boudry, V.; Bracinik, J.; Brandt, G.; Brisson, V.; Bruncko, D.; Busser, F.W.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A.J.; Cassol-Brunner, F.; Cerny, K.; Cerny, V.; Chekelian, V.; Contreras, J.G.; Coughlan, J.A.; Coppens, Y.R.; Cox, B.E.; Cozzika, G.; Cvach, J.; Dainton, J.B.; Dau, W.D.; Daum, K.; de Boer, Y.; Delcourt, B.; Del Degan, M.; De Roeck, A.; De Wolf, E.A.; Diaconu, C.; Dodonov, V.; Dubak, A.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Eliseev, A.; Elsen, E.; Essenov, S.; Falkewicz, A.; Faulkner, P.J.W.; Favart, L.; Fedotov, A.; Felst, R.; Feltesse, J.; Ferencei, J.; Finke, L.; Fleischer, M.; Flucke, G.; Fomenko, A.; Franke, G.; Frisson, T.; Gabathuler, E.; Garutti, E.; Gayler, J.; Gerlich, C.; Ghazaryan, S.; Ginzburgskaya, S.; Glazov, A.; Glushkov, I.; Goerlich, L.; Goettlich, M.; Gogitidze, N.; Gorbounov, S.; Grab, C.; Greenshaw, T.; Gregori, M.; Grell, B.R.; Grindhammer, G.; Gwilliam, C.; Haidt, D.; Hansson, M.; Heinzelmann, G.; Henderson, R.C.W.; Henschel, H.; Herrera, G.; Hildebrandt, M.; Hiller, K.H.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Hreus, T.; Hussain, S.; Ibbotson, M.; Ismail, M.; Jacquet, M.; Janssen, X.; Jemanov, V.; Jonsson, L.; Johnson, C.L.; Johnson, D.P.; Jung, A.W.; Jung, H.; Kapichine, M.; Katzy, J.; Kenyon, I.R.; Kiesling, C.; Klein, M.; Kleinwort, C.; Klimkovich, T.; Kluge, T.; Knies, G.; Knutsson, A.; Korbel, V.; Kostka, P.; Krastev, K.; Kretzschmar, J.; Kropivnitskaya, A.; Kruger, K.; Landon, M.P.J.; Lange, W.; Lastovicka-Medin, G.; Laycock, P.; Lebedev, A.; Leibenguth, G.; Lendermann, V.; Levonian, S.; Lindfeld, L.; Lipka, K.; Liptaj, A.; List, B.; List, J.; Lobodzinska, E.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Lucaci-Timoce, A.I.; Lueders, H.; Lux, T.; Lytkin, L.; Makankine, A.; Malden, N.; Malinovski, E.; Marage, P.; Marshall, R.; Marti, L.; Martisikova, M.; Martyn, H.U.; Maxfield, S.J.; Mehta, A.; Meier, K.; Meyer, A.B.; Meyer, H.; Meyer, J.; Michels, V.; Mikocki, S.; Milcewicz-Mika, I.; Milstead, D.; Mladenov, D.; Mohamed, A.; Moreau, F.; Morozov, A.; Morris, J.V.; Mozer, M.U.; Muller, K.; Murin, P.; Nankov, K.; Naroska, B.; Naumann, T.; Newman, P.R.; Niebuhr, C.; Nikiforov, A.; Nowak, G.; Nowak, K.; Nozicka, M.; Oganezov, R.; Olivier, B.; Olsson, J.E.; Osman, S.; Ozerov, D.; Palichik, V.; Panagoulias, I.; Papadopoulou, T.; Pascaud, C.; Patel, G.D.; Peng, H.; Perez, E.; Perez-Astudillo, D.; Perieanu, A.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Portheault, B.; Povh, B.; Prideaux, P.; Rahmat, A.J.; Raicevic, N.; Reimer, P.; Rimmer, A.; Risler, C.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rurikova, Z.; Rusakov, S.; Salvaire, F.; Sankey, D.P.C.; Sauter, M.; Sauvan, E.; Schilling, F.P.; Schmidt, S.; Schmitt, S.; Schmitz, C.; Schoeffel, L.; Schoning, A.; Schultz-Coulon, H.C.; Sefkow, F.; Shaw-West, R.N.; Sheviakov, I.; Shtarkov, L.N.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, A.; Steder, M.; Stella, B.; Stiewe, J.; Stoilov, A.; Straumann, U.; Sunar, D.; Tchoulakov, V.; Thompson, G.; Thompson, P.D.; Toll, T.; Tomasz, F.; Traynor, D.; Trinh, T.N.; Truol, P.; Tsakov, I.; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Tzamariudaki, E.; Urban, K.; Urban, M.; Usik, A.; Utkin, D.; Valkarova, A.; Vallee, C.; Van Mechelen, P.; Vargas Trevino, A.; Vazdik, Y.; Veelken, C.; Vinokurova, S.; Volchinski, V.; Wacker, K.; Weber, G.; Weber, R.; Wegener, D.; Werner, C.; Wessels, M.; Wessling, B.; Wissing, C.; Wolf, R.; Wunsch, E.; Xella, S.; Yan, W.; Yeganov, V.; Zacek, J.; Zalesak, J.; Zhang, Z.; Zhelezov, A.; Zhokin, A.; Zhu, Y.C.; Zimmermann, J.; Zimmermann, T.; Zohrabyan, H.; Zomer, F.

    2006-01-01

    A detailed analysis is presented of the diffractive deep-inelastic scattering process $ep\\to eXY$, where $Y$ is a proton or a low mass proton excitation carrying a fraction $1 - \\xpom > 0.95$ of the incident proton longitudinal momentum and the squared four-momentum transfer at the proton vertex satisfies $|t|<1 {\\rm GeV^2}$. Using data taken by the H1 experiment, the cross section is measured for photon virtualities in the range $3.5 \\leq Q^2 \\leq 1600 \\rm GeV^2$, triple differentially in $\\xpom$, $Q^2$ and $\\beta = x / \\xpom$, where $x$ is the Bjorken scaling variable. At low $\\xpom$, the data are consistent with a factorisable $\\xpom$ dependence, which can be described by the exchange of an effective pomeron trajectory with intercept $\\alphapom(0)= 1.118 \\pm 0.008 {\\rm (exp.)} ^{+0.029}_{-0.010} {\\rm (model)}$. Diffractive parton distribution functions and their uncertainties are determined from a next-to-leading order DGLAP QCD analysis of the $Q^2$ and $\\beta$ dependences of the cross section. The res...

  15. X-ray diffraction from thin films : Size/strain analysis and whole pattern fitting

    Energy Technology Data Exchange (ETDEWEB)

    Scardi, P [Trento Univ. (Italy). Dept. of Materials Engineering

    1996-09-01

    Line Profile Analysis (LPA) and whole pattern fitting may be used with success for the characterization of thin films from XRD data collected with the traditional Bragg-Brentano geometry. The size/strain analysis was conducted by an integrated procedure of profile modelling-assisted Fourier analysis, in order to measure the content of lattice imperfections and crystalline domain size along the growth direction in heteroepitaxial thin films. The microstructure of these films is typical of several PVD processes for the production of highly textured and low-defect thin crystalline layers. The same analysis could be conducted on random thin films as well, and in this case it is possible to determine an average crystallite size and shape. As will be shown in the paper, structural and microstructural parameters obtained by these methods may be correlated with thin film properties of technological interest. The whole pattern analysis may be used to obtain the information contained in a wide region of the diffraction pattern. This approach, currently used for the quantitative analysis of phase mixtures in traditional powder samples, was modified to account both for the size/strain effects, according to a simplified LPA, and for the structure of thin films and multi-layer systems. In this way, a detailed analysis based on a structural model for the present phases can be performed considering the real geometry of these samples. In particular, the quantitative phase analysis could be conducted in terms of layer thickness instead of volume or weight fractions.

  16. X-ray diffraction from thin films : Size/strain analysis and whole pattern fitting

    International Nuclear Information System (INIS)

    Scardi, P.

    1996-01-01

    Line Profile Analysis (LPA) and whole pattern fitting may be used with success for the characterization of thin films from XRD data collected with the traditional Bragg-Brentano geometry. The size/strain analysis was conducted by an integrated procedure of profile modelling-assisted Fourier analysis, in order to measure the content of lattice imperfections and crystalline domain size along the growth direction in heteroepitaxial thin films. The microstructure of these films is typical of several PVD processes for the production of highly textured and low-defect thin crystalline layers. The same analysis could be conducted on random thin films as well, and in this case it is possible to determine an average crystallite size and shape. As will be shown in the paper, structural and microstructural parameters obtained by these methods may be correlated with thin film properties of technological interest. The whole pattern analysis may be used to obtain the information contained in a wide region of the diffraction pattern. This approach, currently used for the quantitative analysis of phase mixtures in traditional powder samples, was modified to account both for the size/strain effects, according to a simplified LPA, and for the structure of thin films and multi-layer systems. In this way, a detailed analysis based on a structural model for the present phases can be performed considering the real geometry of these samples. In particular, the quantitative phase analysis could be conducted in terms of layer thickness instead of volume or weight fractions

  17. Intercomparison of ion beam analysis software for the simulation of backscattering spectra from two-dimensional structures

    Czech Academy of Sciences Publication Activity Database

    Mayer, M.; Malinský, Petr; Schiettekatte, F.; Zolnai, Z.

    2016-01-01

    Roč. 385, OCT (2016), s. 65-73 ISSN 0168-583X R&D Projects: GA ČR(CZ) GBP108/12/G108 Institutional support: RVO:61389005 Keywords : ion beam analysis * computer simulation Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.109, year: 2016

  18. Tensometry technique for X-ray diffraction in applied analysis of welding

    International Nuclear Information System (INIS)

    Turibus, S.N.; Caldas, F.C.M.; Miranda, D.M.; Monine, V.I.; Assis, J.T.

    2010-01-01

    This paper presents the analysis of residual stress introduced in welding process. As the stress in a material can induce damages, it is necessary to have a method to identify this residual stress state. For this it was used the non-destructive X-ray diffraction technique to analyze two plates from A36 steel jointed by metal inert gas (MIG) welding. The stress measurements were made by the sin 2 ψ method in weld region of steel plates including analysis of longitudinal and transverse residual stresses in fusion zone, heat affected zone (HAZ) and base metal. To determine the stress distribution along the depth of the welded material it was used removing of superficial layers made by electropolishing. (author)

  19. [Desmoid fibromatosis in absorption infrared spectroscopy, emission spectral analysis and roentgen diffraction recording].

    Science.gov (United States)

    Zejkan, A; Bejcek, Z; Horejs, J; Vrbová, H; Bakosová, M; Macholda, F; Rykl, D

    1989-10-01

    The authors present results of serial quality and quantity microanalyses of bone patterns and dental tissue patterns in patient with desmoid fibromatosis. Methods of absorption spectroscopy, emission spectral analysis and X-ray diffraction analysis with follow-up to x-ray examination are tested. The above mentioned methods function in a on-line system by means of specially adjusted monitor unit which is controlled centrally by the computer processor system. The whole process of measurement is fully automated and the data obtained are recorded processed in the unit data structure classified into index sequence blocks of data. Serial microanalyses offer exact data for the study of structural changes of dental and bone tissues which manifest themselves in order of crystal grid shifts. They prove the fact that microanalyses give new possibilities in detection and interpretation of chemical and structural changes of apatite cell.

  20. Thermal and X-ray diffraction analysis studies during the decomposition of ammonium uranyl nitrate

    OpenAIRE

    Kim, B. H.; Lee, Y. B.; Prelas, M. A.; Ghosh, T. K.

    2012-01-01

    Two types of ammonium uranyl nitrate (NH4)2UO2(NO3)4?2H2O and NH4UO2(NO3)3, were thermally decomposed and reduced in a TG-DTA unit in nitrogen, air, and hydrogen atmospheres. Various intermediate phases produced by the thermal decomposition and reduction process were investigated by an X-ray diffraction analysis and a TG/DTA analysis. Both (NH4)2UO2(NO3)4?2H2O and NH4UO2(NO3)3 decomposed to amorphous UO3 regardless of the atmosphere used. The amorphous UO3 from (NH4)2UO2(NO3)4?2H2O was crysta...

  1. Accelerated Synchrotron X-ray Diffraction Data Analysis on a Heterogeneous High Performance Computing System

    Energy Technology Data Exchange (ETDEWEB)

    Qin, J; Bauer, M A, E-mail: qin.jinhui@gmail.com, E-mail: bauer@uwo.ca [Computer Science Department, University of Western Ontario, London, ON N6A 5B7 (Canada)

    2010-11-01

    The analysis of synchrotron X-ray Diffraction (XRD) data has been used by scientists and engineers to understand and predict properties of materials. However, the large volume of XRD image data and the intensive computations involved in the data analysis makes it hard for researchers to quickly reach any conclusions about the images from an experiment when using conventional XRD data analysis software. Synchrotron time is valuable and delays in XRD data analysis can impact decisions about subsequent experiments or about materials that they are investigating. In order to improve the data analysis performance, ideally to achieve near real time data analysis during an XRD experiment, we designed and implemented software for accelerated XRD data analysis. The software has been developed for a heterogeneous high performance computing (HPC) system, comprised of IBM PowerXCell 8i processors and Intel quad-core Xeon processors. This paper describes the software and reports on the improved performance. The results indicate that it is possible for XRD data to be analyzed at the rate it is being produced.

  2. Accelerated Synchrotron X-ray Diffraction Data Analysis on a Heterogeneous High Performance Computing System

    International Nuclear Information System (INIS)

    Qin, J; Bauer, M A

    2010-01-01

    The analysis of synchrotron X-ray Diffraction (XRD) data has been used by scientists and engineers to understand and predict properties of materials. However, the large volume of XRD image data and the intensive computations involved in the data analysis makes it hard for researchers to quickly reach any conclusions about the images from an experiment when using conventional XRD data analysis software. Synchrotron time is valuable and delays in XRD data analysis can impact decisions about subsequent experiments or about materials that they are investigating. In order to improve the data analysis performance, ideally to achieve near real time data analysis during an XRD experiment, we designed and implemented software for accelerated XRD data analysis. The software has been developed for a heterogeneous high performance computing (HPC) system, comprised of IBM PowerXCell 8i processors and Intel quad-core Xeon processors. This paper describes the software and reports on the improved performance. The results indicate that it is possible for XRD data to be analyzed at the rate it is being produced.

  3. Quantitative characterization of abyssal seafloor with transit multibeam backscatter data

    Science.gov (United States)

    Pockalny, R. A.; Ferrini, V. L.

    2014-12-01

    The expanding volume of deep-water multibeam echosounder data provides emerging opportunities for the improved characterization of the abyssal seafloor. Nearly 500 cruises criss-cross the oceans with modern wide-swath multibeam systems, and these cruise tracks have imaged a variety of morphologic, tectonic and magmatic environments. The qualitative analysis of the seafloor backscatter data strongly suggests a local and regional variability that correlates with sediment thickness, sediment type and/or depositional environment. We present our initial attempts to develop a method that quantifies this observed seafloor backscatter variability and to explore the causes and potential implications of this variability. Our approach is rooted in the Angular Range Analysis methodology, which utilizes changes in backscatter amplitude observed as a function of grazing angle, to characterize the seafloor. The primary difference in our approach is that we do not invert for geo-acoustical parameters, but rather explores empirical relationships between geological observations and stacked slope and y-intercept values. In addition, we also include the mean and the variance of detrended backscatter measurements. Our initial results indicate intriguing relationships between backscatter parameters and the CaCO3 content of surface sediments. Seafloor regions reported to have high manganese nodule concentrations also tend to have characteristic trends in backscatter parameters. We will present these regional correlations as well as some preliminary statistical analyses of the backscatter parameters and key environmental factors.

  4. Quantitative analysis of crystalline pharmaceuticals in tablets by pattern-fitting procedure using X-ray diffraction pattern.

    Science.gov (United States)

    Takehira, Rieko; Momose, Yasunori; Yamamura, Shigeo

    2010-10-15

    A pattern-fitting procedure using an X-ray diffraction pattern was applied to the quantitative analysis of binary system of crystalline pharmaceuticals in tablets. Orthorhombic crystals of isoniazid (INH) and mannitol (MAN) were used for the analysis. Tablets were prepared under various compression pressures using a direct compression method with various compositions of INH and MAN. Assuming that X-ray diffraction pattern of INH-MAN system consists of diffraction intensities from respective crystals, observed diffraction intensities were fitted to analytic expression based on X-ray diffraction theory and separated into two intensities from INH and MAN crystals by a nonlinear least-squares procedure. After separation, the contents of INH were determined by using the optimized normalization constants for INH and MAN. The correction parameter including all the factors that are beyond experimental control was required for quantitative analysis without calibration curve. The pattern-fitting procedure made it possible to determine crystalline phases in the range of 10-90% (w/w) of the INH contents. Further, certain characteristics of the crystals in the tablets, such as the preferred orientation, size of crystallite, and lattice disorder were determined simultaneously. This method can be adopted to analyze compounds whose crystal structures are known. It is a potentially powerful tool for the quantitative phase analysis and characterization of crystals in tablets and powders using X-ray diffraction patterns. Copyright 2010 Elsevier B.V. All rights reserved.

  5. Quantitative description of microstructure defects in hexagonal boron nitrides using X-ray diffraction analysis

    International Nuclear Information System (INIS)

    Schimpf, C.; Motylenko, M.; Rafaja, D.

    2013-01-01

    A routine for simultaneous quantification of turbostratic disorder, amount of puckering and the dislocation and stacking fault density in hexagonal materials was proposed and tested on boron nitride powder samples that were synthesised using different methods. The routine allows the individual microstructure defects to be recognised according to their effect on the anisotropy of the X-ray diffraction line broadening. For quantification of the microstructure defects, the total line broadening is regarded as a linear combination of the contributions from the particular defects. The total line broadening is obtained from the line profile fitting. As testing material, graphitic boron nitride (h-BN) was employed in the form of hot-isostatically pressed h-BN, pyrolytic h-BN or a h-BN, which was chemically vapour deposited at a low temperature. The kind of the dominant microstructure defects determined from the broadening of the X-ray diffraction lines was verified by high resolution transmission electron microscopy. Their amount was attempted to be verified by alternative methods. - Highlights: • Reliable method for quantification of microstructure defects in BN was suggested. • The method is based on the analysis of anisotropic XRD line broadening. • This XRD line broadening is unique and characteristic of the respective defect. • Thus, the quantification of coexistent microstructure defects is possible. • The method was tested on hexagonal BN, which was produced by different techniques

  6. Diffraction analysis of sidelobe characteristics of optical elements with ripple error

    Science.gov (United States)

    Zhao, Lei; Luo, Yupeng; Bai, Jian; Zhou, Xiangdong; Du, Juan; Liu, Qun; Luo, Yujie

    2018-03-01

    The ripple errors of the lens lead to optical damage in high energy laser system. The analysis of sidelobe on the focal plane, caused by ripple error, provides a reference to evaluate the error and the imaging quality. In this paper, we analyze the diffraction characteristics of sidelobe of optical elements with ripple errors. First, we analyze the characteristics of ripple error and build relationship between ripple error and sidelobe. The sidelobe results from the diffraction of ripple errors. The ripple error tends to be periodic due to fabrication method on the optical surface. The simulated experiments are carried out based on angular spectrum method by characterizing ripple error as rotationally symmetric periodic structures. The influence of two major parameter of ripple including spatial frequency and peak-to-valley value to sidelobe is discussed. The results indicate that spatial frequency and peak-to-valley value both impact sidelobe at the image plane. The peak-tovalley value is the major factor to affect the energy proportion of the sidelobe. The spatial frequency is the major factor to affect the distribution of the sidelobe at the image plane.

  7. Intercomparison of ion beam analysis software for the simulation of backscattering spectra from two-dimensional structures

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, M., E-mail: matej.mayer@ipp.mpg.de [Max-Planck-Institut für Plasmaphysik, Boltzmannstr. 2, 85748 Garching (Germany); Malinský, P. [Nuclear Physics Institute of the Czech Academy of Sciences v.v.i., 250 68 Rez (Czech Republic); Department of Physics, Faculty of Science, J.E. Purkinje University, Ceske mladeze 8, 400 96 Usti nad Labem (Czech Republic); Schiettekatte, F. [Regroupement Québécois sur les Matériaux de Pointe (RQMP), Département de Physique, Université de Montréal, Montréal, QC (Canada); Zolnai, Z. [Centre for Energy Research, Institute of Technical Physics and Materials Science (MFA), Konkoly-Thege M. út 29-33, H-1121 Budapest (Hungary)

    2016-10-15

    The codes RBS-MAST, STRUCTNRA, F95-Rough and CORTEO are simulation codes for ion beam analysis spectra from two- or three-dimensional sample structures. The codes were intercompared in a code-code comparison using an idealized grating structure and by comparison to experimental data from a silicon grating on tantalum interlayer. All codes are in excellent agreement at higher incident energies and not too large energy losses. At lower incident energies, grazing angles of incidence and/or larger energy losses plural scattering effects play an increasing role. Simulation codes with plural scattering capabilities offer higher accuracy and better agreement to experimental results in this regime.

  8. Ion beam polishing for three-dimensional electron backscattered diffraction

    DEFF Research Database (Denmark)

    Saowadee, Nath; Agersted, Karsten; Ubhi, H.S.

    2013-01-01

    averaging and/or poor 3D-EBSD data quality. In this work a low kV focused ion beam was successfully implemented to automatically polish surfaces during 3D-EBSD of La- and Nb-doped strontium titanate of volume 12.6 × 12.6 × 3.0 μm. The key to achieving this technique is the combination of a defocused low k...

  9. High quality transmission Kikuchi diffraction analysis of deformed alloys - Case study

    International Nuclear Information System (INIS)

    Tokarski, Tomasz; Cios, Grzegorz; Kula, Anna; Bała, Piotr

    2016-01-01

    Modern scanning electron microscopes (SEM) equipped with thermally assisted field emission guns (Schottky FEG) are capable of imaging with a resolution in the range of several nanometers or better. Simultaneously, the high electron beam current can be used, which enables fast chemical and crystallographic analysis with a higher resolution than is normally offered by SEM with a tungsten cathode. The current resolution that limits the EDS and EBSD analysis is related to materials' physics, particularly to the electron-specimen interaction volume. The application of thin, electron-transparent specimens, instead of bulk samples, improves the resolution and allows for the detailed analysis of very fine microstructural features. Beside the typical imaging mode, it is possible to use a standard EBSD camera in such a configuration that only transmitted and scattered electrons are detected. This modern approach was successfully applied to various materials giving rise to significant resolution improvement, especially for the light element magnesium based alloys. This paper presents an insight into the application of the transmission Kikuchi diffraction (TKD) technique applied to the most troublesome, heavily-deformed materials. In particular, the values of the highest possible acquisition rates for high resolution and high quality mapping were estimated within typical imaging conditions of stainless steel and magnesium-yttrium alloy. - Highlights: •Monte Carlo simulations were used to simulate EBSD camera intensity for various measuring conditions. •Transmission Kikuchi diffraction parameters were evaluated for highly deformed, light and heavy elements based alloys. •High quality maps with 20 nm spatial resolution were acquired for Mg and Fe based alloys. •High speed TKD measurements were performed at acquisition rates comparable to the reflection EBSD.

  10. Evaluation of Portland cement from X-ray diffraction associated with cluster analysis

    International Nuclear Information System (INIS)

    Gobbo, Luciano de Andrade; Montanheiro, Tarcisio Jose; Montanheiro, Filipe; Sant'Agostino, Lilia Mascarenhas

    2013-01-01

    The Brazilian cement industry produced 64 million tons of cement in 2012, with noteworthy contribution of CP-II (slag), CP-III (blast furnace) and CP-IV (pozzolanic) cements. The industrial pole comprises about 80 factories that utilize raw materials of different origins and chemical compositions that require enhanced analytical technologies to optimize production in order to gain space in the growing consumer market in Brazil. This paper assesses the sensitivity of mineralogical analysis by X-ray diffraction associated with cluster analysis to distinguish different kinds of cements with different additions. This technique can be applied, for example, in the prospection of different types of limestone (calcitic, dolomitic and siliceous) as well as in the qualification of different clinkers. The cluster analysis does not require any specific knowledge of the mineralogical composition of the diffractograms to be clustered; rather, it is based on their similarity. The materials tested for addition have different origins: fly ashes from different power stations from South Brazil and slag from different steel plants in the Southeast. Cement with different additions of limestone and white Portland cement were also used. The Rietveld method of qualitative and quantitative analysis was used for measuring the results generated by the cluster analysis technique. (author)

  11. Interlinking backscatter, grain size and benthic community structure

    Science.gov (United States)

    McGonigle, Chris; Collier, Jenny S.

    2014-06-01

    The relationship between acoustic backscatter, sediment grain size and benthic community structure is examined using three different quantitative methods, covering image- and angular response-based approaches. Multibeam time-series backscatter (300 kHz) data acquired in 2008 off the coast of East Anglia (UK) are compared with grain size properties, macrofaunal abundance and biomass from 130 Hamon and 16 Clamshell grab samples. Three predictive methods are used: 1) image-based (mean backscatter intensity); 2) angular response-based (predicted mean grain size), and 3) image-based (1st principal component and classification) from Quester Tangent Corporation Multiview software. Relationships between grain size and backscatter are explored using linear regression. Differences in grain size and benthic community structure between acoustically defined groups are examined using ANOVA and PERMANOVA+. Results for the Hamon grab stations indicate significant correlations between measured mean grain size and mean backscatter intensity, angular response predicted mean grain size, and 1st principal component of QTC analysis (all p PERMANOVA for the Hamon abundance shows benthic community structure was significantly different between acoustic groups for all methods (p ≤ 0.001). Overall these results show considerable promise in that more than 60% of the variance in the mean grain size of the Clamshell grab samples can be explained by mean backscatter or acoustically-predicted grain size. These results show that there is significant predictive capacity for sediment characteristics from multibeam backscatter and that these acoustic classifications can have ecological validity.

  12. A re-analysis of neutron diffraction data from UO2

    International Nuclear Information System (INIS)

    Cooper, M.J.; Sakata, M.

    1979-04-01

    The results of a re-analysis of recent single crystal and powder neutron diffraction data from UO2 are presented and discussed. It is shown that apparent inconsistencies in the results of previous analyses of these data arose from differences between the values assumed for some of the parameters and that the various sets of data are in fact extremely consistent. These data also provide a more accurate value for the ratio of the scattering amplitudes, i.e. bU/bO = 1.451(2), which gives a value for bU = 0.842(2) x 10(-12) cm on the assumption of a value for b0 = 0.5805(11) x 10(-12) cm. The temperature factors for the atoms at room temperature are determined to be BU = 0.23(1)Angstrom and BO = 0.44(1)Angstrom(2). (author)

  13. X-ray diffraction and molecular-dynamics studies: Structural analysis of phases in diglyceride monolayers

    DEFF Research Database (Denmark)

    Peters, Günther H.J.; Larsen, Niels Bent; Bjørnholm, T.

    1998-01-01

    We report a detailed structural analysis of the phases of 1,2-sn-dipalmitoylglycerol Langmuir monolayers at room temperature. Pressure-induced transitions have been investigated by combination of molecular-dynamics simulations and grazing-incidence x-ray diffraction (XRD). The diglyceride film...... undergoes two phase transitions occurring at 38.3 and 39.8 Angstrom(2)/molecule. Simulation indicates that the first transition involves a reorientation of the headgroups while simulation and XRD show that in the second transition the order parameter is the tilt angle of the alkyl chains. A methodology......; At the lowest pressure the tilt angle reaches approximate to 14 degrees in a direction close to a nearest neighbor direction. Both arrangements of the alkyl chains are confirmed by XRD. For higher order and fractional order Bragg peaks, simulations predict higher intensities than observed with XRD. This may...

  14. Quantitative mineralogical analysis of sandstones using x-ray diffraction techniques

    International Nuclear Information System (INIS)

    Ward, C.R.; Taylor, J.C.

    1999-01-01

    Full text: X-ray diffraction has long been used as a definitive technique for mineral identification based on the measuring the internal atomic or crystal structures present in powdered rocks; soils and other mineral mixtures. Recent developments in data gathering and processing, however, have provided an improved basis for its use as a quantitative tool, determining not only the nature of the minerals but also the relative proportions of the different minerals present. The mineralogy of a series of sandstone samples from the Sydney and Bowen Basins of eastern Australia has been evaluated by X-ray diffraction (XRD) on a quantitative basis using the Australian-developed SIROQUANT data processing technique. Based on Rietveld principles, this technique generates a synthetic X-ray diffractogram by adjusting and combining full-profile patterns of minerals nominated as being present in the sample and interactively matches the synthetic diffractogram under operator instructions to the observed diffractogram of the sample being analysed. The individual mineral patterns may be refined in the process, to allow for variations in crystal structure of individual components or for factors such as preferred orientation in the sample mount. The resulting output provides mass percentages of the different minerals in the mixture, and an estimate of the error associated with each individual percentage determination. The chemical composition of the mineral mixtures indicated by SIROQUANT for each individual sandstone studied was estimated using a spreadsheet routine, and the indicated proportion of each oxide in each sample compared to the actual chemical analysis of the same sandstone as determined independently by X-ray fluorescence spectrometry. The results show a high level of agreement for all major chemical constituents, indicating consistency between the SIROQUANT XRD data and the whole-rock chemical composition. Supplementary testing with a synthetic corundum spike further

  15. X-ray diffraction analysis of clay stones, Muglad Sedimentary Basin, Sudan

    International Nuclear Information System (INIS)

    Ali, A. E.

    1997-01-01

    This study deals with the theoretical and experimental aspects of X-ray diffraction (XRD) technique. Moreover the XRD technique has been used to investigate the clay mineral types and their distribution for samples obtained from exploration wells in the Mugald Sedimentary Basin in Western Sudan. The studied samples range in depth from 1524 m to 4572 m. The XRD analysis of samples shows that they consist of kaolinite, smectite, illite, chlorite and the mixed-layer smectite/illite. Kaolinite has higher abundance (15 - 72 %) followed by illite (7 - 34 %), smectite (11 - 76 %) and the less abundance of chlorite and the mixed-layer smectite/illite. Non-clay minerals found include quartz and cristabolite. The clay mineral types and their vertical distribution reflect various controls such as environmental, burial diagenesis, source rocks and climatic influences in the Muglad Sedimentary Basin. (author). 19 refs., 11 figs., 3 tabs

  16. Structure analysis of K3H(SO4)2 by neutron powder diffraction

    International Nuclear Information System (INIS)

    Murakami, Satoshi; Kuroiwa, Yoshihiro; Noda, Yukio; Nakai, Yusuke; Kamiyama, Takashi; Asano, Hajime.

    1993-01-01

    Neutron powder diffraction experiments of K 3 H(SO 4 ) 2 were carried out at KENS-HRP station in order to obtain the positional parameters of hydrogen nuclei. The data was taken at six different temperatures from room temperature to 20K. Even though K 3 H(SO 4 ) 2 contained a hydrogen atom, the structural analysis was successfully performed by using a program RIETAN. Concerning the hydrogen position, four different models give almost the same R-factor so that the state of the hydrogen nucleus is not uniquely determined. The result based on the assumption that a hydrogen nucleus occupies two sites shows that the distance of split hydrogen nuclei is shorter than the distance of hydrogen electron clouds. This result suggests that a large polarizability exists in a hydrogen atom. (author)

  17. The fit of an X-ray diffraction profile by Fourier analysis

    International Nuclear Information System (INIS)

    Bourniquel, B.; Feron, J.

    1985-01-01

    The fast Fourier transform algorithm commonly used for line profile analysis requires a list of values of the diffracted intensity with constant sintheta step; raw data are usually obtained at constant 2theta step; to interpolate between the measured values an analytic expression of the profile function is very useful. Statistical estimation is used to fit an analytic function to data; the only assumption made is the continuity of this function and no critical initialization is needed. Three different expressions are used: a Fourier sum for the peak and two polynomials of a suitable variable for the tails; the algorithm provides continuity for the function and its first derivative. Simulated examples using a Lorentzian and a Gaussian function are given and several criteria of goodness of fit are examined. The program runs on a PDP 11/03 digital computer with only 45 kbytes available memory. (orig.)

  18. X-Ray Diffraction for In-Situ Mineralogical Analysis of Planetesimals.

    Science.gov (United States)

    Sarrazin, P.; Blake, D. F.; Dera, P.; Downs, R. T.; Taylor, J.

    2017-12-01

    X-ray diffraction (XRD) is a general purpose technique for definitive, quantitative mineralogical analysis. When combined with XRF data for sample chemistry, XRD analyses yield as complete a characterization as is possible by any spacecraft-capable techniques. The MSL CheMin instrument, the first XRD instrument flown in space, has been used to establish the quantitative mineralogy of the Mars global soil, to discover the first habitable environment on another planet, and to provide the first in-situ evidence of silicic volcanism on Mars. CheMin is now used to characterize the depositional and diagenetic environments associated with the mudstone sediments of lower strata of Mt. Sharp. Conventional powder XRD requires samples comprised of small grains presented in random orientations. In CheMin, sample cells are vibrated to cause loose powder to flow within the cell, driven by granular convection, which relaxes the requirement for fine grained samples. Nevertheless, CheMin still requires mechanisms to collect, crush, sieve and deliver samples before analysis. XTRA (Extraterrestrial Regolith Analyzer) is an evolution of CheMin intended to analyze fines in as-delivered surface regolith, without sample preparation. Fine-grained regolith coats the surfaces of most airless bodies in the solar system, and because this fraction is typically comminuted from the rocky regolith, it can often be used as a proxy for the surface as a whole. HXRD (Hybrid-XRD) is concept under development to analyze rocks or soils without sample preparation. Like in CheMin, the diffracted signal is collected with direct illumination CCD's. If the material is sufficiently fine-grained, a powder XRD pattern of the characteristic X-ray tube emission is obtained, similar to CheMin or XTRA. With coarse grained crystals, the white bremsstrahlung radiation of the tube is diffracted into Laue patterns. Unlike typical Laue applications, HXRD uses the CCD's capability to distinguish energy and analyze the

  19. A three-dimensional, two-way, parabolic equation model for acoustic backscattering in a cylindrical coordinate system

    DEFF Research Database (Denmark)

    Zhu, Dong; Jensen, Leif Bjørnø

    2000-01-01

    . The major drawback of using the cylindrical coordinate system, when the backscattering solution is valid within a limited area, is analyzed using a geometrical-optical interpretation. The model may be useful for studying three-dimensional backscattering phenomena comprising azimuthal diffraction effects...

  20. Big-data reflection high energy electron diffraction analysis for understanding epitaxial film growth processes.

    Science.gov (United States)

    Vasudevan, Rama K; Tselev, Alexander; Baddorf, Arthur P; Kalinin, Sergei V

    2014-10-28

    Reflection high energy electron diffraction (RHEED) has by now become a standard tool for in situ monitoring of film growth by pulsed laser deposition and molecular beam epitaxy. Yet despite the widespread adoption and wealth of information in RHEED images, most applications are limited to observing intensity oscillations of the specular spot, and much additional information on growth is discarded. With ease of data acquisition and increased computation speeds, statistical methods to rapidly mine the data set are now feasible. Here, we develop such an approach to the analysis of the fundamental growth processes through multivariate statistical analysis of a RHEED image sequence. This approach is illustrated for growth of La(x)Ca(1-x)MnO(3) films grown on etched (001) SrTiO(3) substrates, but is universal. The multivariate methods including principal component analysis and k-means clustering provide insight into the relevant behaviors, the timing and nature of a disordered to ordered growth change, and highlight statistically significant patterns. Fourier analysis yields the harmonic components of the signal and allows separation of the relevant components and baselines, isolating the asymmetric nature of the step density function and the transmission spots from the imperfect layer-by-layer (LBL) growth. These studies show the promise of big data approaches to obtaining more insight into film properties during and after epitaxial film growth. Furthermore, these studies open the pathway to use forward prediction methods to potentially allow significantly more control over growth process and hence final film quality.

  1. The potential of materials analysis by electron Rutherford backscattering as illustrated by a case study of mouse bones and related compounds

    International Nuclear Information System (INIS)

    Vos, M.; Toekesi, K.; Benkoe, I.

    2012-01-01

    Complete text of publication follows. Electron Rutherford backscattering (ERBS) has a number of distinct advantages for semi-quantitative analysis of samples. These are for example: a) Its high energy makes it rather insensitive to surface effects. b) The peaks appear well approximated by Gaussian with no obvious problems due to background subtraction. c) All the electrons involved have very similar kinetic energy, and hence one does not need to consider changes of the mean-free path or the analyzer transmission function. d) There are no intrinsic satellites to complicate the quantitative interpretation. On the other hand ERBS has a weak point, peaks tend to overlap. Peak separation is proportional to the incoming energy E0, but the intrinsic peak width increases proportional to the square root of E 0 . In practice one has to live with overlapping peaks. In the present work we mainly focus on the measurement and analysis procedure, and compare our best estimate of the concentration of the various elements in mouse bone with that obtained in a recent paper. The promise of ERBS as an analytical technique is clear from the successful analysis of the simple case of calcium carbonate and the somewhat more complicated case of hydroxyapatite. Here agreement between the measured and actual composition are on a very respectable 10% level. The actual bone sample showed more variation in outcome and a somewhat less satisfactory agreement between experiment and theory (see Fig. 1). The variation in outcome between the different measurements can be due to the fact that we average over very few grains, and that the grain composition will vary somewhat with its original position in the bone. In summary, ERBS can become a useful tool to study bone mineralization. As our knowledge of bone mineralization is incomplete this is currently an active topic of multidisciplinary research involving people working in physics, chemistry and biological/medical sciences. One of the important

  2. The Harwell back-scattering spectrometer

    International Nuclear Information System (INIS)

    Windsor, C.G.; Bunce, L.J.; Borcherds, P.H.; Cole, I.; Fitzmaurice, M.; Johnson, D.A.G.; Sinclair, R.N.

    1976-01-01

    Neutron diffraction spectra in which both high resolution (Δ Q/Q approximately equal to 0.003) and high intensity are maintained up to scattering vectors as high as 30A -1 (sin theta/lambda = 2.5) have been obtained with the back-scattering spectrometer (BSS) recently installed on the Harwell electron linac. The theory behind the spectrometer design is described, and it is shown how the above resolution requirement leads to its basic features of a 12m incident flight path, a 2m scattering flight path and a scattering angle (2theta) acceptance from 165 0 to 175 0 . Examples of the resolution, intensity and background are given. It is shown that the problem of frame overlap may be overcome by using an absorbing filter. (author)

  3. X-ray diffraction and thermal analysis of kaolins particle size fractions

    Directory of Open Access Journals (Sweden)

    Patricia dos Santos

    2013-09-01

    Full Text Available Kaolins are common geological materials and have high concentrations of kaolinite as well as the clay fraction of tropical and subtropical soils of Brazil. The characterization of kaolin is a proxy of assessing the contribution of kaolinite to important soil chemical and mineralogical attributes. This study evaluated four kaolins (commercial kaolin A (CCA, commercial kaolin B (CCB, pink sandy kaolin A (CRA and green sandy kaolin A (CVA in the original form and after particle size separation into: sand (200-53 mm, coarse silt (53-20 m, fine silt (20-2 m, large clay (2-1m, medium clay (1-0.5 m and fine clay (<0.5m fractions. The minerals were identified by X-ray diffraction (XRD and evaluated for crystallinity (kaolinite and halloysite through indexes Hughes and Brown, Amigó, Bramão and the dehydroxylation temperature. The physical fractionation was efficient to concentrate minerals in specific size fractions which were not identified in the original material. In CCA kaolin was concentrated one mineral which remains unidentified in fine fractions, in kaolin CRA, zircon was concentrated in the coarse silt and different silicates in the fine fractions, in kaolin CCB were concentrated kaolinite and a silicate in the medium and coarse clay fractions. The estimate by X-ray diffraction overestimated the amount of kaolinite and halloysite underestimated when compared to quantification by thermal gravimetric analysis The crystallinity index exhibit different behaviors depending on the mineralogy of each material, thus the correlation between the crystallinity of kaolinite and / or halloysite and other variables, may be compromised, especially in materials with distinct geological origins.

  4. Analysis of strain error sources in micro-beam Laue diffraction

    International Nuclear Information System (INIS)

    Hofmann, Felix; Eve, Sophie; Belnoue, Jonathan; Micha, Jean-Sébastien; Korsunsky, Alexander M.

    2011-01-01

    Micro-beam Laue diffraction is an experimental method that allows the measurement of local lattice orientation and elastic strain within individual grains of engineering alloys, ceramics, and other polycrystalline materials. Unlike other analytical techniques, e.g. based on electron microscopy, it is not limited to surface characterisation or thin sections, but rather allows non-destructive measurements in the material bulk. This is of particular importance for in situ loading experiments where the mechanical response of a material volume (rather than just surface) is studied and it is vital that no perturbation/disturbance is introduced by the measurement technique. Whilst the technique allows lattice orientation to be determined to a high level of precision, accurate measurement of elastic strains and estimating the errors involved is a significant challenge. We propose a simulation-based approach to assess the elastic strain errors that arise from geometrical perturbations of the experimental setup. Using an empirical combination rule, the contributions of different geometrical uncertainties to the overall experimental strain error are estimated. This approach was applied to the micro-beam Laue diffraction setup at beamline BM32 at the European Synchrotron Radiation Facility (ESRF). Using a highly perfect germanium single crystal, the mechanical stability of the instrument was determined and hence the expected strain errors predicted. Comparison with the actual strain errors found in a silicon four-point beam bending test showed good agreement. The simulation-based error analysis approach makes it possible to understand the origins of the experimental strain errors and thus allows a directed improvement of the experimental geometry to maximise the benefit in terms of strain accuracy.

  5. Study on the microstructure of recycled zircaloy by X-ray diffraction line profile analysis

    International Nuclear Information System (INIS)

    Ichikawa, Rodrigo U.; Pereira, Luiz A.T.; Imakuma, Kengo; Martinez, Luis G.; Turrillas, Xavier

    2013-01-01

    In the fabrication of nuclear fuel elements parts, Zircaloy machining chips are generated and, as this material is high-valued and controlled, its recycling presents high interest not only in economic aspects but also for environmental reasons and due to its strategic role in nuclear technology. Two processes for the recovery of these Zircaloy chips are being studied at IPEN-CNEN/SP. One of the processes is by conventional remelting of the material in a VAR (Vacuum Arc Remelting) furnace for producing solid ingots. Concurrently it is being studied an alternative process, by powder metallurgy methods, by which the chips are hydrided in order to become brittle and be grinded. The resulting ground powder is then compacted and finally vacuum-dehydrided and sintered in one step to form solid pieces. The VAR-remelted samples were also submitted to heat treatments in order to refine their microstructures, resulting in three different samples named 'as cast', 'annealed' and 'tempered'. The microstructures resulting from both processes and also from heat treatments were studied by metallography and X-ray diffraction (XRD). In this work, results of a XRD study are presented applying X-ray diffraction Line Profile Analysis (XLPA) methods in order to determine the mean crystallite sizes and the RMS microstrains on these samples. Additionally, a study for verify the influence of different standard materials used for the correction of the instrumental breadth in the XLPA was developed. The XLPA results show the influence of the processes and also of heat treatments on mean crystallite sizes and microstrains of the samples and were compared to their metallographic study and hardness. (author)

  6. FEM Analysis and Measurement of Residual Stress by Neutron Diffraction on the Dissimilar Overlay Weld Pipe

    International Nuclear Information System (INIS)

    Kim, Kang Soo; Lee, Ho Jin; Woo, Wan Chuck; Seong, Baek Seok; Byeon, Jin Gwi; Park, Kwang Soo; Jung, In Chul

    2010-01-01

    Much research has been done to estimate the residual stress on a dissimilar metal weld. There are many methods to estimate the weld residual stress and FEM (Finite Element Method) is generally used due to the advantage of the parametric study. And the X-ray method and a Hole Drilling technique for an experimental method are also usually used. The aim of this paper is to develop the appropriate FEM model to estimate the residual stresses of the dissimilar overlay weld pipe. For this, firstly, the specimen of the dissimilar overlay weld pipe was manufactured. The SA 508 Gr3 nozzle, the SA 182 safe end and SA376 pipe were welded by the Alloy 182. And the overlay weld by the Alloy 52M was performed. The residual stress of this specimen was measured by using the Neutron Diffraction device in the HANARO (High-flux Advanced Neutron Application ReactOr) research reactor, KAERI (Korea Atomic Energy Research Institute). Secondly, FEM Model on the dissimilar overlay weld pipe was made and analyzed by the ABAQUS Code (ABAQUS, 2004). Thermal analysis and stress analysis were performed, and the residual stress was calculated. Thirdly, the results of the FEM analysis were compared with those of the experimental methods

  7. Diffractive interactions

    International Nuclear Information System (INIS)

    Del Duca, V.; Marage, P.

    1996-08-01

    The general framework of diffractive deep inelastic scattering is introduced and reports given in the session on diffractive interactions at the international workshop on deep-inelastic scattering and related phenomena, Rome, April 1996, are presented. (orig.)

  8. Diffraction theory

    NARCIS (Netherlands)

    Bouwkamp, C.J.

    1954-01-01

    A critical review is presented of recent progress in classical diffraction theory. Both scalar and electromagnetic problems are discussed. The report may serve as an introduction to general diffraction theory although the main emphasis is on diffraction by plane obstacles. Various modifications of

  9. Multibeam sonar backscatter data processing

    Science.gov (United States)

    Schimel, Alexandre C. G.; Beaudoin, Jonathan; Parnum, Iain M.; Le Bas, Tim; Schmidt, Val; Keith, Gordon; Ierodiaconou, Daniel

    2018-06-01

    Multibeam sonar systems now routinely record seafloor backscatter data, which are processed into backscatter mosaics and angular responses, both of which can assist in identifying seafloor types and morphology. Those data products are obtained from the multibeam sonar raw data files through a sequence of data processing stages that follows a basic plan, but the implementation of which varies greatly between sonar systems and software. In this article, we provide a comprehensive review of this backscatter data processing chain, with a focus on the variability in the possible implementation of each processing stage. Our objective for undertaking this task is twofold: (1) to provide an overview of backscatter data processing for the consideration of the general user and (2) to provide suggestions to multibeam sonar manufacturers, software providers and the operators of these systems and software for eventually reducing the lack of control, uncertainty and variability associated with current data processing implementations and the resulting backscatter data products. One such suggestion is the adoption of a nomenclature for increasingly refined levels of processing, akin to the nomenclature adopted for satellite remote-sensing data deliverables.

  10. Validation of the method of quantitative phase analysis by X-ray diffraction in API: case of Tibolone

    International Nuclear Information System (INIS)

    Silva, R P; Ambrósio, M F S; Epprecht, E K; Avillez, R R; Achete, C A; Kuznetsov, A; Visentin, L C

    2016-01-01

    In this study, different structural and microstructural models applied to X-ray analysis of powder diffraction data of polymorphic mixtures of known concentrations of Tibolone were investigated. The X-ray data obtained in different diffraction instruments were analysed via Rietveld method using the same analytical models. The results of quantitative phase analysis show that regardless of the instrument used, the values of the calculated concentrations follow the same systematics with respect to the final errors. The strategy to select a specific analytical model that leads to lower measurement errors is here presented. (paper)

  11. Proton diffraction

    International Nuclear Information System (INIS)

    Den Besten, J.L.; Jamieson, D.N.; Allen, L.J.

    1998-01-01

    The Lindhard theory on ion channeling in crystals has been widely accepted throughout ion beam analysis for use in simulating such experiments. The simulations use a Monte Carlo method developed by Barret, which utilises the classical 'billiard ball' theory of ions 'bouncing' between planes or tubes of atoms in the crystal. This theory is not valid for 'thin' crystals where the planes or strings of atoms can no longer be assumed to be of infinite proportions. We propose that a theory similar to that used for high energy electron diffraction can be applied to MeV ions, especially protons, in thin crystals to simulate the intensities of transmission channeling and of RBS spectra. The diffraction theory is based on a Bloch wave solution of the Schroedinger equation for an ion passing through the periodic crystal potential. The widely used universal potential for proton-nucleus scattering is used to construct the crystal potential. Absorption due to thermal diffuse scattering is included. Experimental parameters such as convergence angle, beam tilt and scanning directions are considered in our calculations. Comparison between theory and experiment is encouraging and suggests that further work is justified. (authors)

  12. A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

    Energy Technology Data Exchange (ETDEWEB)

    Murray, Thomas D. [University of California, Berkeley, CA 94720 (United States); Johns Hopkins University School of Medicine, Baltimore, MD 21205 (United States); Lyubimov, Artem Y. [Stanford University, Stanford, CA 94305 (United States); Ogata, Craig M. [Argonne National Laboratory, Argonne, IL 60439 (United States); Vo, Huy [Johns Hopkins University, Baltimore, MD 21205 (United States); Uervirojnangkoorn, Monarin; Brunger, Axel T., E-mail: brunger@stanford.edu [Stanford University, Stanford, CA 94305 (United States); Berger, James M., E-mail: brunger@stanford.edu [Johns Hopkins University School of Medicine, Baltimore, MD 21205 (United States); University of California, Berkeley, CA 94720 (United States)

    2015-09-26

    A highly X-ray-transparent, silicon nitride-based device has been designed and fabricated to harvest protein microcrystals for high-resolution X-ray diffraction data collection using microfocus beamlines and XFELs. Microcrystals present a significant impediment to the determination of macromolecular structures by X-ray diffraction methods. Although microfocus synchrotron beamlines and X-ray free-electron lasers (XFELs) can enable the collection of interpretable diffraction data from microcrystals, there is a need for efficient methods of harvesting small volumes (<2 µl) of microcrystals grown under common laboratory formats and delivering them to an X-ray beam source under native growth conditions. One approach that shows promise in overcoming the challenges intrinsic to microcrystal analysis is to pair so-called ‘fixed-target’ sample-delivery devices with microbeam-based X-ray diffraction methods. However, to record weak diffraction patterns it is necessary to fabricate devices from X-ray-transparent materials that minimize background scattering. Presented here is the design of a new micro-diffraction device consisting of three layers fabricated from silicon nitride, photoresist and polyimide film. The chip features low X-ray scattering and X-ray absorption properties, and uses a customizable blend of hydrophobic and hydrophilic surface patterns to help localize microcrystals to defined regions. Microcrystals in their native growth conditions can be loaded into the chips with a standard pipette, allowing data collection at room temperature. Diffraction data collected from hen egg-white lysozyme microcrystals (10–15 µm) loaded into the chips yielded a complete, high-resolution (<1.6 Å) data set sufficient to determine a high-quality structure by molecular replacement. The features of the chip allow the rapid and user-friendly analysis of microcrystals grown under virtually any laboratory format at microfocus synchrotron beamlines and XFELs.

  13. A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions

    International Nuclear Information System (INIS)

    Murray, Thomas D.; Lyubimov, Artem Y.; Ogata, Craig M.; Vo, Huy; Uervirojnangkoorn, Monarin; Brunger, Axel T.; Berger, James M.

    2015-01-01

    A highly X-ray-transparent, silicon nitride-based device has been designed and fabricated to harvest protein microcrystals for high-resolution X-ray diffraction data collection using microfocus beamlines and XFELs. Microcrystals present a significant impediment to the determination of macromolecular structures by X-ray diffraction methods. Although microfocus synchrotron beamlines and X-ray free-electron lasers (XFELs) can enable the collection of interpretable diffraction data from microcrystals, there is a need for efficient methods of harvesting small volumes (<2 µl) of microcrystals grown under common laboratory formats and delivering them to an X-ray beam source under native growth conditions. One approach that shows promise in overcoming the challenges intrinsic to microcrystal analysis is to pair so-called ‘fixed-target’ sample-delivery devices with microbeam-based X-ray diffraction methods. However, to record weak diffraction patterns it is necessary to fabricate devices from X-ray-transparent materials that minimize background scattering. Presented here is the design of a new micro-diffraction device consisting of three layers fabricated from silicon nitride, photoresist and polyimide film. The chip features low X-ray scattering and X-ray absorption properties, and uses a customizable blend of hydrophobic and hydrophilic surface patterns to help localize microcrystals to defined regions. Microcrystals in their native growth conditions can be loaded into the chips with a standard pipette, allowing data collection at room temperature. Diffraction data collected from hen egg-white lysozyme microcrystals (10–15 µm) loaded into the chips yielded a complete, high-resolution (<1.6 Å) data set sufficient to determine a high-quality structure by molecular replacement. The features of the chip allow the rapid and user-friendly analysis of microcrystals grown under virtually any laboratory format at microfocus synchrotron beamlines and XFELs

  14. 3D Backscatter Imaging System

    Science.gov (United States)

    Whitaker, Ross (Inventor); Turner, D. Clark (Inventor)

    2016-01-01

    Systems and methods for imaging an object using backscattered radiation are described. The imaging system comprises both a radiation source for irradiating an object that is rotationally movable about the object, and a detector for detecting backscattered radiation from the object that can be disposed on substantially the same side of the object as the source and which can be rotationally movable about the object. The detector can be separated into multiple detector segments with each segment having a single line of sight projection through the object and so detects radiation along that line of sight. Thus, each detector segment can isolate the desired component of the backscattered radiation. By moving independently of each other about the object, the source and detector can collect multiple images of the object at different angles of rotation and generate a three dimensional reconstruction of the object. Other embodiments are described.

  15. Semiconductor Quantum Electron Wave Transport, Diffraction, and Interference: Analysis, Device, and Measurement.

    Science.gov (United States)

    Henderson, Gregory Newell

    Semiconductor device dimensions are rapidly approaching a fundamental limit where drift-diffusion equations and the depletion approximation are no longer valid. In this regime, quantum effects can dominate device response. To increase further device density and speed, new devices must be designed that use these phenomena to positive advantage. In addition, quantum effects provide opportunities for a new class of devices which can perform functions previously unattainable with "conventional" semiconductor devices. This thesis has described research in the analysis of electron wave effects in semiconductors and the development of methods for the design, fabrication, and characterization of quantum devices based on these effects. First, an exact set of quantitative analogies are presented which allow the use of well understood optical design and analysis tools for the development of electron wave semiconductor devices. Motivated by these analogies, methods are presented for modeling electron wave grating diffraction using both an exact rigorous coupled-wave analysis and approximate analyses which are useful for grating design. Example electron wave grating switch and multiplexer designs are presented. In analogy to thin-film optics, the design and analysis of electron wave Fabry-Perot interference filters are also discussed. An innovative technique has been developed for testing these (and other) electron wave structures using Ballistic Electron Emission Microscopy (BEEM). This technique uses a liquid-helium temperature scanning tunneling microscope (STM) to perform spectroscopy of the electron transmittance as a function of electron energy. Experimental results show that BEEM can resolve even weak quantum effects, such as the reflectivity of a single interface between materials. Finally, methods are discussed for incorporating asymmetric electron wave Fabry-Perot filters into optoelectronic devices. Theoretical and experimental results show that such structures could

  16. Analysis of calibrated seafloor backscatter for habitat classification methodology and case study of 158 spots in the Bay of Biscay and Celtic Sea

    Science.gov (United States)

    Fezzani, Ridha; Berger, Laurent

    2018-06-01

    An automated signal-based method was developed in order to analyse the seafloor backscatter data logged by calibrated multibeam echosounder. The processing consists first in the clustering of each survey sub-area into a small number of homogeneous sediment types, based on the backscatter average level at one or several incidence angles. Second, it uses their local average angular response to extract discriminant descriptors, obtained by fitting the field data to the Generic Seafloor Acoustic Backscatter parametric model. Third, the descriptors are used for seafloor type classification. The method was tested on the multi-year data recorded by a calibrated 90-kHz Simrad ME70 multibeam sonar operated in the Bay of Biscay, France and Celtic Sea, Ireland. It was applied for seafloor-type classification into 12 classes, to a dataset of 158 spots surveyed for demersal and benthic fauna study and monitoring. Qualitative analyses and classified clusters using extracted parameters show a good discriminatory potential, indicating the robustness of this approach.

  17. On line ultrasonic integrated backscatter

    International Nuclear Information System (INIS)

    Landini, L.; Picano, E.; Mazzarisi, A.; Santarelli, F.; Benassi, A.; De Pieri, G.

    1988-01-01

    A new equipment for on-line evaluation of index based on two-dimensional integrated backscatter from ultrasonic images is described. The new equipment is fully integrated into a B-mode ultrasonic apparatus which provides a simultaneous display of conventional information together with parameters of tissue characterization. The system has been tested with a backscattering model of microbubbles in polysaccharide solution, characterized by a physiological exponential time decay. An exponential fitting to the experimental data was performed which yielded r=0.95

  18. Analysis of the diffraction peaks in the ZrCr2 system

    International Nuclear Information System (INIS)

    Quiroga, A.A.; Esquivel, M.R.

    2009-01-01

    In this work, the crystalline structures of Cr and Zr are characterized by X-ray Diffraction (XRD). The diffraction peaks are simulated using a numerical convolution of the Gauss and Lorentz functions. The simulation of the model is verified using empirical measurements of the diffraction peaks. From these results, the microstructure parameters of Zr and Cr are obtained: crystallite size (d) and strain (s). The advances obtained are used in the design of the synthesis of AB 2 intermetallics applied to thermal compression of hydrogen (Tch). (author)

  19. Crystallization, diffraction data collection and preliminary crystallographic analysis of DING protein from Pseudomonas fluorescens

    International Nuclear Information System (INIS)

    Moniot, Sebastien; Elias, Mikael; Kim, Donghyo; Scott, Ken; Chabriere, Eric

    2007-01-01

    Crystallization of DING protein from P. fluorescens is reported. A complete data set was collected to 1.43 Å resolution. PfluDING is a phosphate-binding protein expressed in Pseudomonas fluorescens. This protein is clearly distinct from the bacterial ABC transporter soluble phosphate-binding protein PstS and is more homologous to eukaryotic DING proteins. Interestingly, bacterial DING proteins have only been detected in certain Pseudomonas species. Although DING proteins seem to be ubiquitous in eukaryotes, they are systematically absent from eukaryotic genomic databases and thus are still quite mysterious and poorly characterized. PfluDING displays mitogenic activity towards human cells and binds various ligands such as inorganic phosphate, pyrophosphate, nucleotide triphosphates and cotinine. Here, the crystallization of PfluDING is reported in a monoclinic space group (P2 1 ), with typical unit-cell parameters a = 36.7, b = 123.7, c = 40.8 Å, α = 90, β = 116.7, γ = 90°. Preliminary crystallographic analysis reveals good diffraction quality for these crystals and a 1.43 Å resolution data set has been collected

  20. Residual stress analysis for engineering applications by means of neutron diffraction

    International Nuclear Information System (INIS)

    Gnaeupel-Herold, T.; Brand, P.C.; Prask, H.J.

    1999-01-01

    Residual stresses originate from spatial differences in plastic deformation, temperature, or phase distribution, introduced by manufacturing processes or during service. Engineering parts and materials experience mechanical, thermal, and chemical loads during their service, and most of these loads introduce stresses that are superimposed on the already existing residual stresses. Residual stresses can therefore limit or improve life and strength of engineering parts; knowledge and understanding of these stresses is therefore critical for optimizing strength and durability. The economic and scientific importance of neutron diffraction residual stress analysis has led to an increasing number of suitable instruments worldwide. All of the major sources due in the next several years will have instruments for the sole purpose of performing residual stress and texture measurements. Recently, a dedicated, state-of-the-art diffractometer has been installed at the National Institute of Standards and Technology reactor. It has been used for a variety of measurements on basic and engineering stress problems. Among the most prominent examples that have been investigated in collaboration with industrial and academic partners are residual stresses in rails, weldments, and plasma-sprayed coatings

  1. Analysis of dislocation loops by means of large-angle convergent beam electron diffraction

    International Nuclear Information System (INIS)

    Jaeger, Ch; Spiecker, E; Morniroli, J P; Jaeger, W

    2002-01-01

    Diffusion-induced dislocation loops in GaP and GaAs were analysed by means of large-angle convergent beam electron diffraction (LACBED) and conventional contrast methods of transmission electron microscopy. It is demonstrated that LACBED is perfectly suited for use in analysing dislocation loops. The method combines analyses of the dislocation-induced splitting of Bragg lines in a LACBED pattern for the determination of the Burgers vector with analyses of the loop contrast behaviour in transmission electron microscopy bright-field images during tilt experiments, from which the habit plane of the dislocation loop is determined. Perfect dislocation loops formed by condensation of interstitial atoms or vacancies were found, depending on the diffusion conditions. The loops possess {110}-habit planes and Burgers vectors parallel to (110). The LACBED method findings are compared with results of contrast analyses based on the so-called 'inside-outside' contrast of dislocation loops. Advantages of the LACBED method consist in the possibility of determining the complete Burgers vector of the dislocation loops and of an unambiguous and fast loop type analysis

  2. Production of muscovite-feldspathic glass composite: scanning electron microscopy and X-ray diffraction analysis

    International Nuclear Information System (INIS)

    Costa, F.P.F.; Ogasawara, T.; Santos, S.F.

    2009-01-01

    The objective of this work was to find the sintering conditions for the feldspathic glass + muscovite mixture to produce a dense composite block for manufacturing dental prosthesis by using CAD-CAM. Each 20g of the glass-frit had : 15.55g of Armil-feldspar; 0.53g of Al 2 O 3 ; 1.56g of Na 2 CO 3 ; 0.5g of borax; 1.74g of K 2 CO 3 ; 0.13g of CeO 2 . Frit's powder finer than 350 Tyler mesh was mixed with 0 wt%, 10 wt%, 20 wt% and 100 wt% of muscovite pressed cylinders (5600 pounds force) 16mm in diameter and sintered under vacuum Vacumat (VITA) furnace at 850 deg C, 900 deg C, 950 deg C, 1000 deg C, 1050 deg C, 1100 deg C and 1150 deg C. X-ray diffraction analysis and scanning electron microscopy were carried out. The necessary temperature for high densification depended on the composition of the mixture: 850 deg C (for pure frit); 1050 deg C (for 10 wt% mica) and 1150 deg C (for 20 wt% mica); pure mica degraded during sintering. (author)

  3. Overproduction, purification, crystallization and preliminary X-ray diffraction analysis of Trypanosoma brucei gambiense glycerol kinase

    International Nuclear Information System (INIS)

    Balogun, Emmanuel Oluwadare; Inaoka, Daniel Ken; Kido, Yasutoshi; Shiba, Tomoo; Nara, Takeshi; Aoki, Takashi; Honma, Teruki; Tanaka, Akiko; Inoue, Masayuki; Matsuoka, Shigeru; Michels, Paul A. M.; Harada, Shigeharu; Kita, Kiyoshi

    2010-01-01

    Glycerol kinase from human African trypanosomes has been purified and crystallized for X-ray structure analysis. In the bloodstream forms of human trypanosomes, glycerol kinase (GK; EC 2.7.1.30) is one of the nine glycosomally compartmentalized enzymes that are essential for energy metabolism. In this study, a recombinant Trypanosoma brucei gambiense GK (rTbgGK) with an N-terminal cleavable His 6 tag was overexpressed, purified to homogeneity and crystallized by the sitting-drop vapour-diffusion method using PEG 400 as a precipitant. A complete X-ray diffraction data set to 2.75 Å resolution indicated that the crystals belonged to the orthorhombic space group P2 1 2 1 2 1 , with unit-cell parameters a = 63.84, b = 121.50, c = 154.59 Å. The presence of two rTbgGK molecules in the asymmetric unit gives a Matthews coefficient (V M ) of 2.5 Å 3 Da −1 , corresponding to 50% solvent content

  4. Analysis of neutron diffraction peak broadening caused by internal stresses in composite materials

    International Nuclear Information System (INIS)

    Todd, R.I.; Borsa, C.; Derby, B.

    1994-01-01

    Neutron diffraction is an essential tool in the study of internal stresses in composite materials. In most work only the peak shifts caused by the related elastic strains are considered, but other valuable information exists in the form of peak shape changes. The conditions under which the pure diffraction profile of the composite (i.e. the profile when all sources of broadening not caused by the residual stresses are removed) represents the probability distribution of the peak shifts corresponding to the strains are examined. It is shown that in these conditions, the pure diffraction profile has no attributes of particle size broadening (and vice versa), thereby providing a test for the validity of results interpreted in this way. The experimental derivation of measured strain distributions in Al 2 O 3 /SiCp composites using neutron diffraction is described. No apparent particle size broadening was detected, demonstrating the validity of the results, which also satisfied other tests for consistency

  5. Effect of the cortex on ultrasonic backscatter measurements of cancellous bone

    International Nuclear Information System (INIS)

    Hoffmeister, Brent K; Holt, Andrew P; Kaste, Sue C

    2011-01-01

    Ultrasonic backscatter techniques offer a promising new approach for detecting changes in bone caused by osteoporosis. However, several challenges impede clinical implementation of backscatter techniques. This study examines how the dense outer surface of bone (the cortex) affects backscatter measurements of interior regions of porous (cancellous) bone tissue. Fifty-two specimens of bone were prepared from 13 human femoral heads so that the same region of cancellous bone could be ultrasonically interrogated through the cortex or along directions that avoided the cortex. Backscatter signals were analyzed over a frequency range of 0.8-3.0 MHz to determine two ultrasonic parameters: apparent integrated backscatter (AIB) and frequency slope of apparent backscatter (FSAB). The term 'apparent' means that the parameters are sensitive to the frequency-dependent effects of diffraction and attenuation. Significant (p < 0.001) changes in AIB and FSAB indicated that measurements through the cortex decreased the apparent backscattered power and increased the frequency dependence of the power. However, the cortex did not affect the correlation of AIB and FSAB with the x-ray bone mineral density of the specimens. This suggests that results from many previous in vitro backscatter studies of specimens of purely cancellous bone may be extrapolated with greater confidence to in vivo conditions.

  6. Effect of the cortex on ultrasonic backscatter measurements of cancellous bone

    Energy Technology Data Exchange (ETDEWEB)

    Hoffmeister, Brent K; Holt, Andrew P [Department of Physics, Rhodes College, Memphis, TN (United States); Kaste, Sue C, E-mail: hoffmeister@rhodes.edu [Department of Diagnostic Imaging, St Jude Children' s Research Hospital, Memphis, TN (United States)

    2011-10-07

    Ultrasonic backscatter techniques offer a promising new approach for detecting changes in bone caused by osteoporosis. However, several challenges impede clinical implementation of backscatter techniques. This study examines how the dense outer surface of bone (the cortex) affects backscatter measurements of interior regions of porous (cancellous) bone tissue. Fifty-two specimens of bone were prepared from 13 human femoral heads so that the same region of cancellous bone could be ultrasonically interrogated through the cortex or along directions that avoided the cortex. Backscatter signals were analyzed over a frequency range of 0.8-3.0 MHz to determine two ultrasonic parameters: apparent integrated backscatter (AIB) and frequency slope of apparent backscatter (FSAB). The term 'apparent' means that the parameters are sensitive to the frequency-dependent effects of diffraction and attenuation. Significant (p < 0.001) changes in AIB and FSAB indicated that measurements through the cortex decreased the apparent backscattered power and increased the frequency dependence of the power. However, the cortex did not affect the correlation of AIB and FSAB with the x-ray bone mineral density of the specimens. This suggests that results from many previous in vitro backscatter studies of specimens of purely cancellous bone may be extrapolated with greater confidence to in vivo conditions.

  7. An Inquiry-Based Project Focused on the X-Ray Powder Diffraction Analysis of Common Household Solids

    Science.gov (United States)

    Hulien, Molly L.; Lekse, Jonathan W.; Rosmus, Kimberly A.; Devlin, Kasey P.; Glenn, Jennifer R.; Wisneski, Stephen D.; Wildfong, Peter; Lake, Charles H.; MacNeil, Joseph H.; Aitken, Jennifer A.

    2015-01-01

    While X-ray powder diffraction (XRPD) is a fundamental analytical technique used by solid-state laboratories across a breadth of disciplines, it is still underrepresented in most undergraduate curricula. In this work, we incorporate XRPD analysis into an inquiry-based project that requires students to identify the crystalline component(s) of…

  8. Examples of neutron diffraction texture analysis on one and the same chalcopyrite sample before and after experimental deformation

    International Nuclear Information System (INIS)

    Jansen, E.M.; Brokmeier, H.G.; Siemes, H.

    1994-01-01

    Natural chalcopyrite specimens from Mt. Isa, Australia were investigated by neutron diffraction texture analysis. The preferred orientation of the specimens consists of 3 main orientation components. After axial shortening at a temperature of 25 C the initial orientation components became weaker, a new component was detected. (orig.)

  9. Non-destructive bulk analysis of the Buggenum sword by neutron resonance capture analysis and neutron diffraction

    International Nuclear Information System (INIS)

    Postma, H.; Clarijs, M.; Borella, A.; Schillebeeckx, P.; Kamermans, H.

    2010-01-01

    Two neutron based techniques, neutron resonance capture analysis (NRCA) and time-of-flight neutron-diffraction (TOF-ND) have been used to determine the elemental composition and structure of a precious and very well preserved all-metal sword from the Bronze Age. This Buggenum sword was on loan from the National Museum of Antiquities (NMA) in Leiden (NL). NRCA and TOF-ND experiments have been carried out at a number of more or less identical positions of the sword. The tin-bronze ratio and the relative amounts of some minor elements (Sb, As, Ag, In) have been determined. The results of neutron diffraction measurements showed considerable tin-segregation, and clear indications of hardening on the edges of the blade. In addition, radiographs using Bremsstrahlung revealed the construction of the hilt-blade connection. The work was carried out at the EC Joint Research Centre IRMM in Geel (B) and at the ISIS facility of the Rutherford Appleton Laboratory (UK). (author)

  10. Phase analysis of nano-phase materials using selected area electron diffraction in the TEM

    International Nuclear Information System (INIS)

    Labar, J. L.

    2002-01-01

    In analogy to X-ray power diffraction (XRD), we are developing a method to help phase identification when examining a large number of grains simultaneously by electron diffraction. Although XRD is well established, it can not be used for small quantities of materials (volumes below 1 mm 3 ). Examining a usual TEM sample with thickness of 100 nm and using a selected area of 1 mm in diameter, the selected area electron diffraction pattern (SAED) carries information about several thousands of grains from a material with an average grain size of about 10 nm. The accuracy of XRD can not be attained by electron diffraction (ED). However, simultaneous visual observation of the nanostructure is an additional benefit of TEM (beside the small amount of needed material). The first step of the development project was the development of a computer program ('ProcessDiffraction') that processes digital versions of SAED patterns and presents them in an XRD-like form (intensity vs. scattering vector). In the present version (V2.0.3) phase identification is carried out by comparing the measured distribution to 'Markers', i.e. data of known phases. XRD data cards are used if the detailed structure of a phase is not known. Kinematic electron diffraction intensities are calculated for phases with known atomic positions (Author)

  11. Steel research using neutron beam techniques. In-situ neutron diffraction, small-angle neutron scattering and residual stress analysis

    International Nuclear Information System (INIS)

    Sueyoshi, Hitoshi; Ishikawa, Nobuyuki; Yamada, Katsumi; Sato, Kaoru; Nakagaito, Tatsuya; Matsuda, Hiroshi; Arakaki, Yu; Tomota, Yo

    2014-01-01

    Recently, the neutron beam techniques have been applied for steel researches and industrial applications. In particular, the neutron diffraction is a powerful non-destructive method that can analyze phase transformation and residual stress inside the steel. The small-angle neutron scattering is also an effective method for the quantitative evaluation of microstructures inside the steel. In this study, in-situ neutron diffraction measurements during tensile test and heat treatment were conducted in order to investigate the deformation and transformation behaviors of TRIP steels. The small-angle neutron scattering measurements of TRIP steels were also conducted. Then, the neutron diffraction analysis was conducted on the high strength steel weld joint in order to investigate the effect of the residual stress distribution on the weld cracking. (author)

  12. Backscatter and attenuation characterization of ventricular myocardium

    Science.gov (United States)

    Gibson, Allyson Ann

    2009-12-01

    This Dissertation presents quantitative ultrasonic measurements of the myocardium in fetal hearts and adult human hearts with the goal of studying the physics of sound waves incident upon anisotropic and inhomogeneous materials. Ultrasound has been used as a clinical tool to assess heart structure and function for several decades. The clinical usefulness of this noninvasive approach has grown with our understanding of the physical mechanisms underlying the interaction of ultrasonic waves with the myocardium. In this Dissertation, integrated backscatter and attenuation analyses were performed on midgestational fetal hearts to assess potential differences in the left and right ventricular myocardium. The hearts were interrogated using a 50 MHz transducer that enabled finer spatial resolution than could be achieved at more typical clinical frequencies. Ultrasonic data analyses demonstrated different patterns and relative levels of backscatter and attenuation from the myocardium of the left ventricle and the right ventricle. Ultrasonic data of adult human hearts were acquired with a clinical imaging system and quantified by their magnitude and time delay of cyclic variation of myocardial backscatter. The results were analyzing using Bayes Classification and ROC analysis to quantify potential advantages of using a combination of two features of cyclic variation of myocardial backscatter over using only one or the other feature to distinguish between groups of subjects. When the subjects were classified based on hemoglobin A1c, the homeostasis model assessment of insulin resistance, and the ratio of triglyceride to high-density lipoprotein-cholesterol, differences in the magnitude and normalized time delay of cyclic variation of myocardial backscatter were observed. The cyclic variation results also suggested a trend toward a larger area under the ROC curve when information from magnitude and time delay of cyclic variation is combined using Bayes classification than when

  13. Analytical purpose electron backscattering system

    International Nuclear Information System (INIS)

    Desdin, L.; Padron, I.; Laria, J.

    1996-01-01

    In this work an analytical purposes electron backscattering system improved at the Center of Applied Studies for Nuclear Development is described. This system can be applied for fast, exact and nondestructive testing of binary and AL/Cu, AL/Ni in alloys and for other applications

  14. Diffraction at TOTEM

    OpenAIRE

    Giani, S; Niewiadomski, H; Antchev, G; Aspell, P; Avati, V; Bagliesi, M G; Berardi, V; Berretti, M; Besta, M; Bozzo, M; Brücken, E; Buzzo, A; Cafagna, F; Calicchio, M; Catanesi, M G

    2010-01-01

    The primary objective of the TOTEM experiment at the LHC is the measurement of the total proton-proton cross section with the luminosity-independent method and the study of elastic proton-proton cross-section over a wide |t|-range. In addition TOTEM also performs a comprehensive study of diffraction, spanning from cross-section measurements of individual diffractive processes to the analysis of their event topologies. Hard diffraction will be studied in collaboration with CMS taking advantage...

  15. Diffraction at TOTEM

    OpenAIRE

    Antchev, G.; Aspell, P.; Avati, V.; Bagliesi, M.G.; Berardi, V.; Berretti, M.; Bottigli, U.; Bozzo, M.; Brucken, E.; Buzzo, A.; Cafagna, F.; Calicchio, M.; Catanesi, M.G.; Catastini, P.L.; Cecchi, R.

    2008-01-01

    The TOTEM experiment at the LHC measures the total proton-proton cross section with the luminosity-independent method and the elastic proton-proton cross-section over a wide |t|-range. It also performs a comprehensive study of diffraction, spanning from cross-section measurements of individual diffractive processes to the analysis of their event topologies. Hard diffraction will be studied in collaboration with CMS taking advantage of the large common rapidity coverage for charged and neutral...

  16. Nodule bottom backscattering study using multibeam echosounder

    Digital Repository Service at National Institute of Oceanography (India)

    Chakraborty, B.; Raju, Y.S.N.; Nair, R.R.

    A study is carried out to observe the angular dependence of backscattering strength at nodule area where grab sample and photographic data is available. Theoretical study along with the experimentally observed data shows that the backscattering...

  17. Lead foil in dental X-ray film: Backscattering rejection or image intensifier?

    International Nuclear Information System (INIS)

    Hönnicke, M.G.; Delben, G.J.; Godoi, W.C.; Swinka-Filho, V.

    2014-01-01

    Dental X-ray films are still largely used due to sterilization issues, simplicity and, mainly, economic reasons. These films almost always are double coated (double emulsion) and have a lead foil in contact with the film for X-ray backscattering rejection. Herein we explore the use of the lead foil as an image intensifier. In these studies, spatial resolution was investigated when images were acquired on the dental X-ray films with and without the lead foil. Also, the lead foil was subjected to atomic analysis (fluorescent measurements) and structure analysis (X-ray diffraction). We determined that the use of the lead foil reduces the exposure time, however, does not affect the spatial resolution on the acquired images. This suggests that the fluorescent radiation spread is smaller than the grain sizes of the dental X-ray films

  18. Lead foil in dental X-ray film: Backscattering rejection or image intensifier?

    Science.gov (United States)

    Hönnicke, M. G.; Delben, G. J.; Godoi, W. C.; Swinka-Filho, V.

    2014-11-01

    Dental X-ray films are still largely used due to sterilization issues, simplicity and, mainly, economic reasons. These films almost always are double coated (double emulsion) and have a lead foil in contact with the film for X-ray backscattering rejection. Herein we explore the use of the lead foil as an image intensifier. In these studies, spatial resolution was investigated when images were acquired on the dental X-ray films with and without the lead foil. Also, the lead foil was subjected to atomic analysis (fluorescent measurements) and structure analysis (X-ray diffraction). We determined that the use of the lead foil reduces the exposure time, however, does not affect the spatial resolution on the acquired images. This suggests that the fluorescent radiation spread is smaller than the grain sizes of the dental X-ray films.

  19. Diffraction-based analysis of tunnel size for a scaled external occulter testbed

    Science.gov (United States)

    Sirbu, Dan; Kasdin, N. Jeremy; Vanderbei, Robert J.

    2016-07-01

    For performance verification of an external occulter mask (also called a starshade), scaled testbeds have been developed to measure the suppression of the occulter shadow in the pupil plane and contrast in the image plane. For occulter experiments the scaling is typically performed by maintaining an equivalent Fresnel number. The original Princeton occulter testbed was oversized with respect to both input beam and shadow propagation to limit any diffraction effects due to finite testbed enclosure edges; however, to operate at realistic space-mission equivalent Fresnel numbers an extended testbed is currently under construction. With the longer propagation distances involved, diffraction effects due to the edge of the tunnel must now be considered in the experiment design. Here, we present a diffraction-based model of two separate tunnel effects. First, we consider the effect of tunnel-edge induced diffraction ringing upstream from the occulter mask. Second, we consider the diffraction effect due to clipping of the output shadow by the tunnel downstream from the occulter mask. These calculations are performed for a representative point design relevant to the new Princeton occulter experiment, but we also present an analytical relation that can be used for other propagation distances.

  20. Novel design and sensitivity analysis of displacement measurement system utilizing knife edge diffraction for nanopositioning stages.

    Science.gov (United States)

    Lee, ChaBum; Lee, Sun-Kyu; Tarbutton, Joshua A

    2014-09-01

    This paper presents a novel design and sensitivity analysis of a knife edge-based optical displacement sensor that can be embedded with nanopositioning stages. The measurement system consists of a laser, two knife edge locations, two photodetectors, and axillary optics components in a simple configuration. The knife edge is installed on the stage parallel to its moving direction and two separated laser beams are incident on knife edges. While the stage is in motion, the direct transverse and diffracted light at each knife edge is superposed producing interference at the detector. The interference is measured with two photodetectors in a differential amplification configuration. The performance of the proposed sensor was mathematically modeled, and the effect of the optical and mechanical parameters, wavelength, beam diameter, distances from laser to knife edge to photodetector, and knife edge topography, on sensor outputs was investigated to obtain a novel analytical method to predict linearity and sensitivity. From the model, all parameters except for the beam diameter have a significant influence on measurement range and sensitivity of the proposed sensing system. To validate the model, two types of knife edges with different edge topography were used for the experiment. By utilizing a shorter wavelength, smaller sensor distance and higher edge quality increased measurement sensitivity can be obtained. The model was experimentally validated and the results showed a good agreement with the theoretically estimated results. This sensor is expected to be easily implemented into nanopositioning stage applications at a low cost and mathematical model introduced here can be used for design and performance estimation of the knife edge-based sensor as a tool.

  1. Production, crystallization and preliminary X-ray diffraction analysis of the allergen Can f 2 from Canis familiaris

    International Nuclear Information System (INIS)

    Madhurantakam, Chaithanya; Nilsson, Ola B.; Jönsson, Klas; Grönlund, Hans; Achour, Adnane

    2009-01-01

    The recombinant form of the allergen Can f 2 from C. familiaris was produced, isolated and crystallized in two different forms. Preliminary X-ray diffraction analyses are reported for the two crystal forms of Can f 2. The allergen Can f 2 from dog (Canis familiaris) present in saliva, dander and fur is an important cause of allergic sensitization worldwide. Here, the production, isolation, crystallization and preliminary X-ray diffraction analysis of two crystal forms of recombinant Can f 2 are reported. The first crystal form belonged to space group C222, with unit-cell parameters a = 68.7, b = 77.3, c = 65.1 Å, and diffracted to 1.55 Å resolution, while the second crystal form belonged to space group C2, with unit-cell parameters a = 75.7, b = 48.3, c = 68.7 Å, β = 126.5°, and diffracted to 2.1 Å resolution. Preliminary data analysis indicated the presence of a single molecule in the asymmetric unit for both crystal forms

  2. Digital diffraction analysis enables low-cost molecular diagnostics on a smartphone.

    Science.gov (United States)

    Im, Hyungsoon; Castro, Cesar M; Shao, Huilin; Liong, Monty; Song, Jun; Pathania, Divya; Fexon, Lioubov; Min, Changwook; Avila-Wallace, Maria; Zurkiya, Omar; Rho, Junsung; Magaoay, Brady; Tambouret, Rosemary H; Pivovarov, Misha; Weissleder, Ralph; Lee, Hakho

    2015-05-05

    The widespread distribution of smartphones, with their integrated sensors and communication capabilities, makes them an ideal platform for point-of-care (POC) diagnosis, especially in resource-limited settings. Molecular diagnostics, however, have been difficult to implement in smartphones. We herein report a diffraction-based approach that enables molecular and cellular diagnostics. The D3 (digital diffraction diagnosis) system uses microbeads to generate unique diffraction patterns which can be acquired by smartphones and processed by a remote server. We applied the D3 platform to screen for precancerous or cancerous cells in cervical specimens and to detect human papillomavirus (HPV) DNA. The D3 assay generated readouts within 45 min and showed excellent agreement with gold-standard pathology or HPV testing, respectively. This approach could have favorable global health applications where medical access is limited or when pathology bottlenecks challenge prompt diagnostic readouts.

  3. IOTA: integration optimization, triage and analysis tool for the processing of XFEL diffraction images.

    Science.gov (United States)

    Lyubimov, Artem Y; Uervirojnangkoorn, Monarin; Zeldin, Oliver B; Brewster, Aaron S; Murray, Thomas D; Sauter, Nicholas K; Berger, James M; Weis, William I; Brunger, Axel T

    2016-06-01

    Serial femtosecond crystallography (SFX) uses an X-ray free-electron laser to extract diffraction data from crystals not amenable to conventional X-ray light sources owing to their small size or radiation sensitivity. However, a limitation of SFX is the high variability of the diffraction images that are obtained. As a result, it is often difficult to determine optimal indexing and integration parameters for the individual diffraction images. Presented here is a software package, called IOTA , which uses a grid-search technique to determine optimal spot-finding parameters that can in turn affect the success of indexing and the quality of integration on an image-by-image basis. Integration results can be filtered using a priori information about the Bravais lattice and unit-cell dimensions and analyzed for unit-cell isomorphism, facilitating an improvement in subsequent data-processing steps.

  4. Initial idea to use optical flats for x-ray fluorescence analysis and recent applications to diffraction studies

    International Nuclear Information System (INIS)

    Horiuchi, T.

    1993-01-01

    Described in this work is the initial idea of using an optical flat for X-ray fluorescence analysis based upon studies of anomalous surface reflection (ASR). To develop total-reflection X-ray fluorescence analysis (TXRF) as one of the most powerful tools for microchemical analysis, various experiments such as the micro-determinations of uranium in sea-water, iron in human blood and rare earth elements in hot spring-water were attempted. Furthermore, the physically interesting experiment on Compton scattering under total-reflection conditions was conducted. Recent applications of the total-reflection phenomenon to diffraction studies, i.e. total-reflection X-ray diffraction (TXRD), are also presented. (author)

  5. 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

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

    International Nuclear Information System (INIS)

    Cummins, Dustin Ray; Vogel, Sven C.; Hollis, Kendall Jon; Brown, Donald William; Dombrowski, David E.

    2016-01-01

    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

  7. A fixed full-matrix method for determining ice sheet height change from satellite altimeter: an ENVISAT case study in East Antarctica with backscatter analysis

    Science.gov (United States)

    Yang, Yuande; Hwang, Cheinway; E, Dongchen

    2014-09-01

    A new method, called the fixed full-matrix method (FFM), is used to compute height changes at crossovers of satellite altimeter ground tracks. Using the ENVISAT data in East Antarctica, FFM results in crossovers of altimeter heights that are 1.9 and 79 times more than those from the fixed half method (FHM) and the one-row method (ORM). The mean standard error of height changes is about 14 cm from ORM, which is reduced to 7 cm by FHM and to 3 cm by FFM. Unlike FHM, FFM leads to uniform errors in the first-half and second-half height-change time series. FFM has the advantage in improving the accuracy of the change of height and backscattered power over ORM and FHM. Assisted by the ICESat-derived height changes, we determine the optimal threshold correlation coefficient (TCC) for a best correction for the backscatter effect on ENVISAT height changes. The TCC value of 0.92 yields an optimal result for FFM. With this value, FFM yields ENVISAT-derived height change rates in East Antarctica mostly falling between and 3 cm/year, and matching the ICESat result to 0.94 cm/year. The ENVISAT result will provide a constraint on the current mass balance result along the Chinese expedition route CHINARE.

  8. Backscatter measurements for NIF ignition targets (invited).

    Science.gov (United States)

    Moody, J D; Datte, P; Krauter, K; Bond, E; Michel, P A; Glenzer, S H; Divol, L; Niemann, C; Suter, L; Meezan, N; MacGowan, B J; Hibbard, R; London, R; Kilkenny, J; Wallace, R; Kline, J L; Knittel, K; Frieders, G; Golick, B; Ross, G; Widmann, K; Jackson, J; Vernon, S; Clancy, T

    2010-10-01

    Backscattered light via laser-plasma instabilities has been measured in early NIF hohlraum experiments on two beam quads using a suite of detectors. A full aperture backscatter system and near backscatter imager (NBI) instrument separately measure the stimulated Brillouin and stimulated Raman scattered light. Both instruments work in conjunction to determine the total backscattered power to an accuracy of ∼15%. In order to achieve the power accuracy we have added time-resolution to the NBI for the first time. This capability provides a temporally resolved spatial image of the backscatter which can be viewed as a movie.

  9. Backscatter measurements for NIF ignition targets (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Moody, J. D.; Datte, P.; Krauter, K.; Bond, E.; Michel, P. A.; Glenzer, S. H.; Divol, L.; Suter, L.; Meezan, N.; MacGowan, B. J.; Hibbard, R.; London, R.; Kilkenny, J.; Wallace, R.; Knittel, K.; Frieders, G.; Golick, B.; Ross, G.; Widmann, K.; Jackson, J. [Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550 (United States); and others

    2010-10-15

    Backscattered light via laser-plasma instabilities has been measured in early NIF hohlraum experiments on two beam quads using a suite of detectors. A full aperture backscatter system and near backscatter imager (NBI) instrument separately measure the stimulated Brillouin and stimulated Raman scattered light. Both instruments work in conjunction to determine the total backscattered power to an accuracy of {approx}15%. In order to achieve the power accuracy we have added time-resolution to the NBI for the first time. This capability provides a temporally resolved spatial image of the backscatter which can be viewed as a movie.

  10. Backscatter measurements for NIF ignition targets (invited)

    International Nuclear Information System (INIS)

    Moody, J. D.; Datte, P.; Krauter, K.; Bond, E.; Michel, P. A.; Glenzer, S. H.; Divol, L.; Suter, L.; Meezan, N.; MacGowan, B. J.; Hibbard, R.; London, R.; Kilkenny, J.; Wallace, R.; Knittel, K.; Frieders, G.; Golick, B.; Ross, G.; Widmann, K.; Jackson, J.

    2010-01-01

    Backscattered light via laser-plasma instabilities has been measured in early NIF hohlraum experiments on two beam quads using a suite of detectors. A full aperture backscatter system and near backscatter imager (NBI) instrument separately measure the stimulated Brillouin and stimulated Raman scattered light. Both instruments work in conjunction to determine the total backscattered power to an accuracy of ∼15%. In order to achieve the power accuracy we have added time-resolution to the NBI for the first time. This capability provides a temporally resolved spatial image of the backscatter which can be viewed as a movie.

  11. Quantitative strain analysis for advanced CMOS technology by Nano Beam Diffraction

    KAUST Repository

    Wang, Qingxiao; Zhu, Jinmin; Du, Anyan; Liu, Jinping; Hua, YouNan

    2010-01-01

    Nano Beam Diffraction has been used to analyze the local strain distribution in MOS transistors. The influence of wafer process on the channel strain has been systematically analyzed in this paper. The source/drain implantation can cause a little strain loss but the silicidation step is the key process in which dramatic strain loss has been found. © 2010 IEEE.

  12. Quantitative strain analysis for advanced CMOS technology by Nano Beam Diffraction

    KAUST Repository

    Wang, Qingxiao

    2010-07-01

    Nano Beam Diffraction has been used to analyze the local strain distribution in MOS transistors. The influence of wafer process on the channel strain has been systematically analyzed in this paper. The source/drain implantation can cause a little strain loss but the silicidation step is the key process in which dramatic strain loss has been found. © 2010 IEEE.

  13. On a semiclassical analysis of high energy electron diffraction by imperfect crystals: the stacking fault

    International Nuclear Information System (INIS)

    Smith, A.E.; Chadderton, L.T.; Johnson, E.

    1978-01-01

    Electron diffraction amplitudes at the lower surface of a displaced sandwich crystal are obtained for the high energy limit in the real space formulation. Using semiclassical methods analytical approximations to a resulting overlap integral - central to the problem - are derived. (Auth.)

  14. Complex method for angular-spectral analysis of volume phase diffraction gratings recorded in photopolymers

    Czech Academy of Sciences Publication Activity Database

    Vojtíšek, Petr; Květoň, M.; Richter, I.

    2016-01-01

    Roč. 11, February (2016), č. článku 16009. ISSN 1990-2573 R&D Projects: GA MŠk(CZ) LO1206 Institutional support: RVO:61389021 Keywords : Photopolymers * diffraction gratings * angular-spectral maps * spectral selectivity * angular selectivity Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.975, year: 2016

  15. The structural analysis of zinc borate glass by laboratory EXAFS and X-ray diffraction measurements

    International Nuclear Information System (INIS)

    Kajinami, Akihiko; Harada, Yasushi; Inoue, Shinsuke; Deki, Shigehito; Umesaki, Norimasa

    1999-01-01

    The structure of zinc borate glass has been investigated by laboratory EXAFS and X-ray diffraction measurement as preliminary investigations for the detailed study in SPring-8. The zinc borate glass was prepared in the range from 40 to 65 mol% of zinc oxide content. The X-ray diffraction was measured by horizontal θ-θ goniometer with 60 kV and 300 mA output of Mo target. The EXAFS of zinc borate glass was measured by laboratory EXAFS system with 20 kV, 100 mA output of Mo target for the K absorption edge of zinc atom. From the X-ray diffraction and the EXAFS measurements, it is found that the zinc ion is surrounded by four oxygen atoms and formed a tetrahedral structure whose (Zn-O) distance is about 2 A and that the structure is unchanged with the zinc oxide content. The diffraction data show that the neighboring structure of boron atom transforms from BO 4 tetrahedra to BO 3 tetragonal planar structure with increasing of the zinc oxide content. (author)

  16. Improvements in backscatter measurement devices

    International Nuclear Information System (INIS)

    Saunders, J.; Hay, W.D.

    1978-01-01

    Improvements in measuring the thickness of a coating on a substrate by the technique of backscattered particles are described. These improvements enable the measurements to be carried out continuously as an integral part of the coating production line and also permit measurements where the coated elements are separated from one another by a predetermined distance. The former is achieved by situating the backscatter probe and detector on the rim of the measurement wheel and rotating this wheel at a speed such that the coated element and probe are stationary relative to one another. The latter improvement is achieved by an indexing apparatus which automatically positions the probe beside a coated element. (U.K.)

  17. Analysis of dijet events in diffractive ep interactions with tagged leading proton at the H1 experiment

    Energy Technology Data Exchange (ETDEWEB)

    Polifka, Richard

    2011-08-15

    An inclusive dijet production in diffractive deep-inelastic scattering is measured. The diffractive selection is based on tagging of the leading proton in the Forward Proton Spectrometer. The statistics of events obtained during the HERA II running period (integrated luminosity of 156.7 pb{sup -1}) enables the measurement of jet final states with leading proton for the first time. The data cover the phase space of x{sub P}<0.1, vertical stroke t vertical stroke {<=}1.0 GeV{sup 2} and 4{<=} Q{sup 2} {<=}110 GeV{sup 2}. The dijet data are compared with the next to leading order predictions of the quantum chromodynamics (QCD). The phase space of diffractive dijets is in this analysis by factor of 3 in x{sub P} larger than in previous measurements. The QCD predictions based on the DGLAP parton evolution describe the measured data well even in a non-DGLAP enriched phase space where one on the jets goes into the region close to the direction of the outgoing proton. The measured single-differential cross sections are compared to several Monte Carlo models with different treatment of diffractive exchange implemented. (orig.)

  18. Analysis of dijet events in diffractive ep interactions with tagged leading proton at the H1 experiment

    International Nuclear Information System (INIS)

    Polifka, Richard

    2011-08-01

    An inclusive dijet production in diffractive deep-inelastic scattering is measured. The diffractive selection is based on tagging of the leading proton in the Forward Proton Spectrometer. The statistics of events obtained during the HERA II running period (integrated luminosity of 156.7 pb -1 ) enables the measurement of jet final states with leading proton for the first time. The data cover the phase space of x P 2 and 4≤ Q 2 ≤110 GeV 2 . The dijet data are compared with the next to leading order predictions of the quantum chromodynamics (QCD). The phase space of diffractive dijets is in this analysis by factor of 3 in x P larger than in previous measurements. The QCD predictions based on the DGLAP parton evolution describe the measured data well even in a non-DGLAP enriched phase space where one on the jets goes into the region close to the direction of the outgoing proton. The measured single-differential cross sections are compared to several Monte Carlo models with different treatment of diffractive exchange implemented. (orig.)

  19. Crystallization and preliminary X-ray diffraction analysis of the MIF4G domain of DAP5

    International Nuclear Information System (INIS)

    Frank, Filipp; Virgili, Geneviève; Sonenberg, Nahum; Nagar, Bhushan

    2009-01-01

    The MIF4G domain of DAP5 was crystallized in two distinct crystal forms. Diffraction patterns have been analyzed and preliminary analysis, including molecular replacement, is presented here. Death-associated protein 5 (DAP5) is a member of the eIF4G family of scaffolding proteins that mediate cap-independent translation initiation by recruiting the translational machinery to internal ribosomal entry sites (IRESs) on mRNA. The MIF4G domain of DAP5 directly interacts with the eukaryotic initiation factors eIF4A and eIF3 and enhances the translation of several viral and cellular IRESs. Here, the crystallization and preliminary X-ray diffraction analysis of the MIF4G domain of DAP5 is presented

  20. Three-dimensional grain mapping by x-ray diffraction contrast tomography and the use of Friedel pairs in diffraction data analysis

    DEFF Research Database (Denmark)

    Ludwig, W.; Reischig, P.; King, A.

    2009-01-01

    X-ray diffraction contrast tomography (DCT) is a technique for mapping grain shape and orientation in plastically undeformed polycrystals. In this paper, we describe a modified DCT data acquisition strategy which permits the incorporation of an innovative Friedel pair method for analyzing...

  1. Crystallization and X-ray diffraction analysis of dihydropyrimidinase from Saccharomyces kluyveri

    International Nuclear Information System (INIS)

    Dobritzsch, Doreen; Andersen, Birgit; Piškur, Jure

    2005-01-01

    Dihydropyrimidinase from the yeast S. kluyveri was crystallized by vapour diffusion. The crystals belong to space group P2 1 (unit-cell parameters a = 91.0, b = 73.0, c = 161.4 Å, β = 91.4°) and diffracted to 2.6 Å resolution. Dihydropyrimidinase (EC 3.5.2.2) catalyzes the second step in the reductive pathway of pyrimidine degradation, the hydrolysis of 5,6-dihydrouracil and 5,6-dihydrothymine to the corresponding N-carbamylated β-amino acids. Crystals of the recombinant enzyme from the yeast Saccharomyces kluyveri diffracting to 2.6 Å at a synchrotron-radiation source have been obtained by the hanging-drop vapour-diffusion method. They belong to space group P2 1 (unit-cell parameters a = 91.0, b = 73.0, c = 161.4 Å, β = 91.4°), with one homotetramer per asymmetric unit

  2. Crystallization and preliminary X-ray diffraction analysis of maize aldose reductase

    Energy Technology Data Exchange (ETDEWEB)

    Kiyota, Eduardo [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil); Centro de Biologia Molecular e Engenharia Genética, Universidade Estadual de Campinas, Campinas-SP (Brazil); Sousa, Sylvia Morais de [Centro de Biologia Molecular e Engenharia Genética, Universidade Estadual de Campinas, Campinas-SP (Brazil); Santos, Marcelo Leite dos; Costa Lima, Aline da [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil); Menossi, Marcelo [Departamento de Genética e Evolução, Instituto de Biologia, Universidade Estadual de Campinas, Campinas-SP (Brazil); Yunes, José Andrés [Laboratório de Biologia Molecular, Centro Infantil Boldrini, Campinas-SP (Brazil); Aparicio, Ricardo, E-mail: aparicio@iqm.unicamp.br [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil)

    2007-11-01

    Preliminary X-ray diffraction studies of apo maize aldose reductase at 2.0 Å resolution are reported. Maize aldose reductase (AR) is a member of the aldo-keto reductase superfamily. In contrast to human AR, maize AR seems to prefer the conversion of sorbitol into glucose. The apoenzyme was crystallized in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 47.2, b = 54.5, c = 100.6 Å and one molecule in the asymmetric unit. Synchrotron X-ray diffraction data were collected and a final resolution limit of 2.0 Å was obtained after data reduction. Phasing was carried out by an automated molecular-replacement procedure and structural refinement is currently in progress. The refined structure is expected to shed light on the functional/enzymatic mechanism and the unusual activities of maize AR.

  3. Crystallization and preliminary X-ray diffraction analysis of alanine racemase from Pseudomonas putida YZ-26

    International Nuclear Information System (INIS)

    Liu, Junlin; Feng, Lei; Shi, Yawei; Feng, Wei

    2012-01-01

    A recombinant alanine racemase from the Pseudomonas putida YZ-26, has been crystallized by the sitting-drop vapor-diffusion method and X-ray diffraction data were collected to 2.4 Å. A recombinant form of alanine racemase (Alr) from Pseudomonas putida YZ-26 has been crystallized by the sitting-drop vapour diffusion method. X-ray diffraction data were collected to 2.4 Å resolution. The crystals belong to the space group C222 1 , with unit-cell parameters a = 118.08, b = 141.86, c = 113.83 Å, and contain an Alr dimer in the asymmetric unit. The Matthews coefficient and the solvent content were calculated to be 2.8 Å 3 Da −1 and approximately 50%, respectively

  4. In-situ Indentation and Correlated Precession Electron Diffraction Analysis of a Polycrystalline Cu Thin Film

    Science.gov (United States)

    Guo, Qianying; Thompson, Gregory B.

    2018-04-01

    In-situ TEM nanoindentation of a polycrystalline Cu film was cross-correlated with precession electron diffraction (PED) to quantify the microstructural evolution. The use of PED is shown to clearly reveal features, such as grain size, that are easily masked by diffraction contrast created by the deformation. Using PED, the accompanying grain refinement and change in texture as well as the preservation of specific grain boundary structures, including a ∑3 boundary, under the indent impression were quantified. The nucleation of dislocations, evident in low-angle grain boundary formations, was also observed under the indent. PED quantification of texture gradients created by the indentation process linked well to bend contours observed in the bright-field images. Finally, PED enabled generating a local orientation spread map that gave an approximate estimation of the spatial distribution of strain created by the indentation impression.

  5. Crystallization and preliminary X-ray diffraction analysis of the fructofuranosidase from Xanthophyllomyces dendrorhous

    International Nuclear Information System (INIS)

    Polo, Aitana; Linde, Dolores; Estévez, Marta; Fernández-Lobato, María; Sanz-Aparicio, Julia

    2010-01-01

    The invertase from X. dendrorhous has been purified, deglycosylated and crystallized and diffraction data have been collected to 2.3 Å resolution. Xanthophyllomyces dendrorhous invertase is an extracellular enzyme that releases β-fructose from the nonreducing termini of various β-d-fructofuranoside substrates. Its ability to produce neokestose by transglycosylation makes this enzyme an interesting research target for applications in industrial biotechnology. The native enzyme, which is highly glycosylated, failed to crystallize. Therefore, it was submitted to EndoH deglycosylating treatment and crystals were grown by vapour-diffusion methods. The crystals belonged to space group P2 1 2 1 2, with unit-cell parameters a = 75.29, b = 204.93, c = 146.25 Å. Several diffraction data sets were collected using a synchrotron source. Self-rotation function and gel-filtration experiments suggested that the enzyme is a dimer with twofold symmetry

  6. Crystallization and diffraction analysis of β-N-acetylhexosaminidase from Aspergillus oryzae

    International Nuclear Information System (INIS)

    Vaněk, Ondřej; Brynda, Jiří; Hofbauerová, Kateřina; Kukačka, Zdeněk; Pachl, Petr; Bezouška, Karel; Řezáčová, Pavlína

    2011-01-01

    The fungal β-N-acetylhexosaminidase from A. oryzae was crystallized and diffraction data were collected from two crystal forms to 3.2 and 2.4 Å resolution, respectively. Fungal β-N-acetylhexosaminidases are enzymes that are used in the chemoenzymatic synthesis of biologically interesting oligosaccharides. The enzyme from Aspergillus oryzae was produced and purified from its natural source and crystallized using the hanging-drop vapour-diffusion method. Diffraction data from two crystal forms (primitive monoclinic and primitive tetragonal) were collected to resolutions of 3.2 and 2.4 Å, respectively. Electrophoretic and quantitative N-terminal protein-sequencing analyses confirmed that the crystals are formed by a complete biologically active enzyme consisting of a glycosylated catalytic unit and a noncovalently attached propeptide

  7. Analysis and Correction of Diffraction Effect on the B/A Measurement at High Frequencies

    Science.gov (United States)

    Zhang, Dong; Gong, Xiu-Fen; Liu, Xiao-Zhou; Kushibiki, Jun-ichi; Nishino, Hideo

    2004-01-01

    A numerical method is developed to analyse and to correct the diffraction effect in the measurement of acoustic nonlinearity parameter B/A at high frequencies. By using the KZK nonlinear equation and the superposition approach of Gaussian beams, an analytical model is derived to describe the second harmonic generation through multi-layer medium SiO2/liquid specimen/SiO2. Frequency dependence of the nonlinear characterization curve for water in 110-155 MHz is numerically and experimentally investigated. With the measured dip position and the new model, values of B/A for water are evaluated. The results show that the present method can effectively correct the diffraction effect in the measurement.

  8. Crystallization and preliminary X-ray diffraction analysis of maize aldose reductase

    International Nuclear Information System (INIS)

    Kiyota, Eduardo; Sousa, Sylvia Morais de; Santos, Marcelo Leite dos; Costa Lima, Aline da; Menossi, Marcelo; Yunes, José Andrés; Aparicio, Ricardo

    2007-01-01

    Preliminary X-ray diffraction studies of apo maize aldose reductase at 2.0 Å resolution are reported. Maize aldose reductase (AR) is a member of the aldo-keto reductase superfamily. In contrast to human AR, maize AR seems to prefer the conversion of sorbitol into glucose. The apoenzyme was crystallized in space group P2 1 2 1 2 1 , with unit-cell parameters a = 47.2, b = 54.5, c = 100.6 Å and one molecule in the asymmetric unit. Synchrotron X-ray diffraction data were collected and a final resolution limit of 2.0 Å was obtained after data reduction. Phasing was carried out by an automated molecular-replacement procedure and structural refinement is currently in progress. The refined structure is expected to shed light on the functional/enzymatic mechanism and the unusual activities of maize AR

  9. X-ray diffraction analysis of particles ingested by filter-feeding animals

    International Nuclear Information System (INIS)

    Merritt, R.W.; Gersabeck, E.F.; Ross, D.H.; Mortland, M.M.

    1978-01-01

    The size and relative abundance of mineral particles ingested by two filter-feeding aquatic insects, Simulium vittatum Zett. (Diptera: Simuliidae) and Aedes triseriatus (Say) (Diptera: Culicidae) were determined by X-ray diffraction methods. Different minerals representing different particle size categories were supplied larval black flies and mosquitoes. Since minerals possess characteristic diffraction properties, their presence and relative abundance can be determined. Early instars of the black fly ingested and retained particles of three different size ranges: however, more coarse particles relative to fine particles were retained by smaller instars as compared with the larger instars. With mosquito larvae, there was a proportional increase in coarser material ingested with increasing age and size of larvae. Other applications of this method are discussed. (Auth.)

  10. Expression, purification, crystallization and preliminary X-ray diffraction analysis of nurse shark β2-microglobulin

    OpenAIRE

    Lu, Shuangshuang; Yao, Shugang; Chen, Rong; Zhang, Nianzhi; Chen, Jianmin; Gao, Feng; Xia, Chun

    2012-01-01

    A crystal of nurse shark β2-microglobulin diffracted to 2.3 Å resolution and belonged to space group P3221, with unit-cell parameters a = b = 88.230, c = 67.146 Å and two molecules per asymmetric unit. The Matthews coefficient V M was calculated to be about 3.28 Å3 Da−1, corresponding to 62.5% solvent content.

  11. Quantitative analysis of calcined fertilizers by X-ray diffraction patterns

    International Nuclear Information System (INIS)

    Cekinski, E.

    1987-01-01

    An X-ray diffraction pattern method for quantitative analyses of phosphate fertilizers obtained by calcination of a misture of Anitapolis phosphate concentrate and sodium carbonate is described. The method consists in plotting a calibration curve, using spinel (MgAl 2 O 4 ) as internal standard, of the phases that were formed by calcination, sintetized in laboratory. The tests conducted in order to avail the method accuracy showed good correlation between the obtained data and the real values. (author) [pt

  12. SU-E-T-235: Monte Carlo Analysis of the Dose Enhancement in the Scalp of Patients Due to Titanium Plate Backscatter During Post-Operative Radiotherapy

    International Nuclear Information System (INIS)

    Hardin, M; Elson, H; Lamba, M; Wolf, E; Warnick, R

    2014-01-01

    Purpose: To quantify the clinically observed dose enhancement adjacent to cranial titanium fixation plates during post-operative radiotherapy. Methods: Irradiation of a titanium burr hole cover was simulated using Monte Carlo code MCNPX for a 6 MV photon spectrum to investigate backscatter dose enhancement due to increased production of secondary electrons within the titanium plate. The simulated plate was placed 3 mm deep in a water phantom, and dose deposition was tallied for 0.2 mm thick cells adjacent to the entrance and exit sides of the plate. These results were compared to a simulation excluding the presence of the titanium to calculate relative dose enhancement on the entrance and exit sides of the plate. To verify simulated results, two titanium burr hole covers (Synthes, Inc. and Biomet, Inc.) were irradiated with 6 MV photons in a solid water phantom containing GafChromic MD-55 film. The phantom was irradiated on a Varian 21EX linear accelerator at multiple gantry angles (0–180 degrees) to analyze the angular dependence of the backscattered radiation. Relative dose enhancement was quantified using computer software. Results: Monte Carlo simulations indicate a relative difference of 26.4% and 7.1% on the entrance and exit sides of the plate respectively. Film dosimetry results using a similar geometry indicate a relative difference of 13% and -10% on the entrance and exit sides of the plate respectively. Relative dose enhancement on the entrance side of the plate decreased with increasing gantry angle from 0 to 180 degrees. Conclusion: Film and simulation results demonstrate an increase in dose to structures immediately adjacent to cranial titanium fixation plates. Increased beam obliquity has shown to alleviate dose enhancement to some extent. These results are consistent with clinically observed effects

  13. Crystallization and diffraction analysis of the serpin IRS-2 from the hard tick Ixodes ricinus

    International Nuclear Information System (INIS)

    Kovářová, Zuzana; Chmelař, Jindřich; Šanda, Miloslav; Brynda, Jiří; Mareš, Michael; Řezáčová, Pavlína

    2010-01-01

    Cleavage of the serpin IRS-2 from the hard tick I. ricinus by contaminating proteolytic activity mimicked the specific processing of the serpin by its target protease and resulted in a more stable form of the serpin which produced crystals that diffracted to 1.8 Å resolution. IRS-2 from the hard tick Ixodes ricinus belongs to the serpin family of protease inhibitors. It is produced in the salivary glands of the tick and its anti-inflammatory activity suggests that it plays a role in parasite–host interaction. Recombinant IRS-2 prepared by heterologous expression in a bacterial system was crystallized using the hanging-drop vapour-diffusion method. The crystals belonged to the primitive tetragonal space group P4 3 and diffracted to 1.8 Å resolution. Mass-spectrometric and electrophoretic analyses revealed that IRS-2 was cleaved by contaminating proteases during crystallization. This processing of IRS-2 mimicked the specific cleavage of the serpin by its target protease and resulted in a more stable form (the so-called relaxed conformation), which produced well diffracting crystals. Activity profiling with specific substrates and inhibitors demonstrated traces of serine and cysteine proteases in the protein stock solution

  14. Analysis of synchrotron X-ray diffraction patterns from fluorotic enamel samples

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Ana P.G.; Braz, Delson, E-mail: anapaulagalmeida@gmail.co [Coordenacao dos Programas de Pos-graduacao de Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Lab. de Instrumentacao Nuclear; Colaco, Marcos V.; Barroso, Regina C., E-mail: cely@uerj.b [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Inst. de Fisica; Porto, Isabel M., E-mail: belporto@ig.com.b [Universidade Estadual de Campinas (UNICAMP), Piracicaba, SP (Brazil). Faculdade de Odontologia; Gerlach, Raquel F., E-mail: rfgerlach@forp.usp.b [Universidade de Sao Paulo (USP), Ribeirao Preto, SP (Brazil). Faculdade de Odontologia; Droppa Junior, Roosevelt, E-mail: rdroppa@lnls.b [Associacao Brasileira de Tecnologia de Luz Sincrotron (ABTLuS), Campinas, SP (Brazil)

    2009-07-01

    With the introduction of fluoride as the main anticaries agent used in preventive dentistry, and perhaps an increase in fluoride in our food chain, dental fluorosis has become an increasing world-wide problem. Visible signs of fluorosis begin to become obvious on the enamel surface as opacities, implying some porosity in the tissue. The mechanisms that conduct the formation of fluorotic enamel are unknown, but should involve modifications in the basics physical-chemistry reactions of demineralisation and remineralisation of the enamel of the teeth, which is the same reaction of formation of the enamel's hydroxyapatite (HAp) in the maturation phase. The increase of the amount of fluoride inside of the apatite will result in gradual increase of the lattice parameters. The hexagonal symmetry seems to work well with the powder diffraction data, and the crystal structure of HAp is usually described in space group P63/m. The aim of this work is to characterize the healthy and fluorotic enamel in human tooth using technique Synchrotron X-ray diffraction in order to determine the crystal structure and crystallinity of on fluoroapatite (FAp) crystal present in fluoritic enamel. All the scattering profile measurements was carried out at the X-ray diffraction beamline (XRD1) at the National Synchrotron Light Laboratory - LNLS, Campinas, Brazil. (author)

  15. Ab initio structure determination and quantitative disorder analysis on nanoparticles by electron diffraction tomography.

    Science.gov (United States)

    Krysiak, Yaşar; Barton, Bastian; Marler, Bernd; Neder, Reinhard B; Kolb, Ute

    2018-03-01

    Nanoscaled porous materials such as zeolites have attracted substantial attention in industry due to their catalytic activity, and their performance in sorption and separation processes. In order to understand the properties of such materials, current research focuses increasingly on the determination of structural features beyond the averaged crystal structure. Small particle sizes, various types of disorder and intergrown structures render the description of structures at atomic level by standard crystallographic methods difficult. This paper reports the characterization of a strongly disordered zeolite structure, using a combination of electron exit-wave reconstruction, automated diffraction tomography (ADT), crystal disorder modelling and electron diffraction simulations. Zeolite beta was chosen for a proof-of-principle study of the techniques, because it consists of two different intergrown polymorphs that are built from identical layer types but with different stacking sequences. Imaging of the projected inner Coulomb potential of zeolite beta crystals shows the intergrowth of the polymorphs BEA and BEB. The structures of BEA as well as BEB could be extracted from one single ADT data set using direct methods. A ratio for BEA/BEB = 48:52 was determined by comparison of the reconstructed reciprocal space based on ADT data with simulated electron diffraction data for virtual nanocrystals, built with different ratios of BEA/BEB. In this way, it is demonstrated that this smart interplay of the above-mentioned techniques allows the elaboration of the real structures of functional materials in detail - even if they possess a severely disordered structure.

  16. Neutron diffraction analysis of the structure of rod photoreceptor membranes in intact retinas

    Energy Technology Data Exchange (ETDEWEB)

    Yaeger, M; Schoenborn, B; Engelman, D; Moore, P; Stryer, L

    1980-01-01

    Neutron diffraction data have been collected from samples containing ten dark-adapted Rana catesbiana bullfrog retinas in 100, 80, 60, 40, and 30% D/sub 2/O Ringer's solution using a step-scanning Soller slit diffractometer. Diffraction was also recorded from retinas equilibrated in D/sub 2/O solutions with varying osmolarity. Rocking curve experiments demonstrated that the rods are disoriented in a cylindrically symmetrical fashion. Structure factor amplitudes were obtained using semi-automated curve-fitting procedures, and phases were obtained by interpreting the D/sub 2/O-H/sub 2/O and osmotic Patterson maps. In D/sub 2/O Ringer's solution the first four structure factors are -353 +- 25, 246 +- 19, 434 +- 13 and 383 +- 19. Neutron scattering density profiles were calculated to 75 A resolution using these structure factors. These neutron diffraction data are consistent with the view that the lipid bilayer is a major structural motif of the rod outer segment disc membrane. Neutron Fourier syntheses in different mixtures of D/sub 2/O and H/sub 2/O indicate that the intradisc and extradisc spaces are predominantly aqueous, consistent with the increase in the intradisc and extradisc volumes as the Ringer's solution is made more hypotomic. In isotonic Ringer's solution, the thicknesses of the intradisc and extradisc spaces are about 36 A and 160 A, respectively, and the center-to-center separation between the 50 A thick lipid bilayer is 88 A.

  17. Analysis of synchrotron X-ray diffraction patterns from fluorotic enamel samples

    International Nuclear Information System (INIS)

    Almeida, Ana P.G.; Braz, Delson

    2009-01-01

    With the introduction of fluoride as the main anticaries agent used in preventive dentistry, and perhaps an increase in fluoride in our food chain, dental fluorosis has become an increasing world-wide problem. Visible signs of fluorosis begin to become obvious on the enamel surface as opacities, implying some porosity in the tissue. The mechanisms that conduct the formation of fluorotic enamel are unknown, but should involve modifications in the basics physical-chemistry reactions of demineralisation and remineralisation of the enamel of the teeth, which is the same reaction of formation of the enamel's hydroxyapatite (HAp) in the maturation phase. The increase of the amount of fluoride inside of the apatite will result in gradual increase of the lattice parameters. The hexagonal symmetry seems to work well with the powder diffraction data, and the crystal structure of HAp is usually described in space group P63/m. The aim of this work is to characterize the healthy and fluorotic enamel in human tooth using technique Synchrotron X-ray diffraction in order to determine the crystal structure and crystallinity of on fluoroapatite (FAp) crystal present in fluoritic enamel. All the scattering profile measurements was carried out at the X-ray diffraction beamline (XRD1) at the National Synchrotron Light Laboratory - LNLS, Campinas, Brazil. (author)

  18. On the use of a composite moderator at the IBR-2 reactor: Advantages for the neutron-diffraction texture analysis of rocks

    Czech Academy of Sciences Publication Activity Database

    Bulavin, M. V.; Vasin, R.N.; Kulikov, S.A.; Lokajíček, Tomáš; Levin, D.M.

    2016-01-01

    Roč. 10, č. 4 (2016), s. 677-686 ISSN 1027-4510 Institutional support: RVO:67985831 Keywords : cold moderator * neutron-diffraction texture analysis * phase analysis * Rietveld method Subject RIV: DB - Geology ; Mineralogy

  19. Thermal and X-ray diffraction analysis studies during the decomposition of ammonium uranyl nitrate.

    Science.gov (United States)

    Kim, B H; Lee, Y B; Prelas, M A; Ghosh, T K

    Two types of ammonium uranyl nitrate (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O and NH 4 UO 2 (NO 3 ) 3 , were thermally decomposed and reduced in a TG-DTA unit in nitrogen, air, and hydrogen atmospheres. Various intermediate phases produced by the thermal decomposition and reduction process were investigated by an X-ray diffraction analysis and a TG/DTA analysis. Both (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O and NH 4 UO 2 (NO 3 ) 3 decomposed to amorphous UO 3 regardless of the atmosphere used. The amorphous UO 3 from (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O was crystallized to γ-UO 3 regardless of the atmosphere used without a change in weight. The amorphous UO 3 obtained from decomposition of NH 4 UO 2 (NO 3 ) 3 was crystallized to α-UO 3 under a nitrogen and air atmosphere, and to β-UO 3 under a hydrogen atmosphere without a change in weight. Under each atmosphere, the reaction paths of (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O and NH 4 UO 2 (NO 3 ) 3 were as follows: under a nitrogen atmosphere: (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4 ·H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4  → NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → γ-UO 3  → U 3 O 8 , NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → α-UO 3  → U 3 O 8 ; under an air atmosphere: (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4 ·H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4  → NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → γ-UO 3  → U 3 O 8 , NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → α-UO 3  → U 3 O 8 ; and under a hydrogen atmosphere: (NH 4 ) 2 UO 2 (NO 3 ) 4 ·2H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4 ·H 2 O → (NH 4 ) 2 UO 2 (NO 3 ) 4  → NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → γ-UO 3  → α-U 3 O 8  → UO 2 , NH 4 UO 2 (NO 3 ) 3  → A-UO 3  → β-UO 3  → α-U 3 O 8  → UO 2 .

  20. Direct detection of near-surface faults by migration of back-scattered surface waves

    KAUST Repository

    Yu, Han

    2014-08-05

    We show that diffraction stack migration can be used to estimate the distribution of near-surface faults. The assumption is that near-surface faults generate detectable back-scattered surface waves from impinging surface waves. The processing steps are to isolate the back-scattered surface waves, and then migrate them by diffraction migration using the surface wave velocity as the migration velocity. Instead of summing events along trial quasi-hyperbolas, surface wave migration sums events along trial quasi-linear trajectories that correspond to the moveout of back-scattered surface waves. A deconvolution filter derived from the data can be used to collapse a dispersive arrival into a non-dispersive event. Results with synthetic data and field records validate the feasibility of this method. Applying this method to USArray data or passively recorded exploration data might open new opportunities in mapping tectonic features over the extent of the array.

  1. Escherichia coli tRNAArg acceptor-stem isoacceptors: comparative crystallization and preliminary X-ray diffraction analysis

    International Nuclear Information System (INIS)

    Eichert, André; Schreiber, Angela; Fürste, Jens P.; Perbandt, Markus; Betzel, Christian; Erdmann, Volker A.; Förster, Charlotte

    2009-01-01

    Various E. coli tRNA Arg acceptor-stem microhelix isoacceptors have been crystallized and investigated by high-resolution X-ray diffraction analysis. The aminoacylation of tRNA is a crucial step in cellular protein biosynthesis. Recognition of the cognate tRNA by the correct aminoacyl-tRNA synthetase is ensured by tRNA identity elements. In tRNA Arg , the identity elements consist of the anticodon, parts of the D-loop and the discriminator base. The minor groove of the aminoacyl stem interacts with the arginyl-tRNA synthetase. As a consequence of the redundancy of the genetic code, six tRNA Arg isoacceptors exist. In the present work, three different Escherichia coli tRNA Arg acceptor-stem helices were crystallized. Two of them, the tRNA Arg microhelices RR-1660 and RR-1662, were examined by X-ray diffraction analysis and diffracted to 1.7 and 1.8 Å resolution, respectively. The tRNA Arg RR-1660 helix crystallized in space group P1, with unit-cell parameters a = 26.28, b = 28.92, c = 29.00 Å, α = 105.74, β = 99.01, γ = 97.44°, whereas the tRNA Arg RR-1662 helix crystallized in space group C2, with unit-cell parameters a = 33.18, b = 46.16, c = 26.04 Å, β = 101.50°

  2. Crystallization and preliminary X-ray diffraction analysis of l,l-diaminopimelate aminotransferase (DapL) from Chlamydomonas reinhardtii

    International Nuclear Information System (INIS)

    Hudson, André O.; Girón, Irma; Dobson, Renwick C. J.

    2010-01-01

    A variant of the diaminopimelate/lysine pathway has recently been defined following the discovery of the enzyme l,l-diaminopimelate aminotransferase (DapL). The cloning of the cDNA, recombinant expression, purification and preliminary diffraction analysis of DapL from the alga C. reinhardtii are presented. In the anabolic synthesis of diaminopimelate and lysine in plants and in some bacteria, the enzyme l,l-diaminopimelate aminotransferase (DapL; EC 2.6.1.83) catalyzes the conversion of tetrahydrodipicolinic acid (THDPA) to l,l-diaminopimelate, bypassing the DapD, DapC and DapE enzymatic steps in the bacterial acyl pathways. Here, the cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of DapL from the alga Chlamydomonas reinhardtii are presented. Protein crystals were grown in conditions containing 25%(w/v) PEG 3350 and 200 mM lithium sulfate and initially diffracted to ∼1.35 Å resolution. They belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 58.9, b = 91.8, c = 162.9 Å. The data were processed to 1.55 Å resolution with an R merge of 0.081, an R p.i.m. of 0.044, an R r.i.m of 0.093 and a V M of 2.28 Å 3 Da −1

  3. A structural investigation into the compaction behavior of pharmaceutical composites using powder X-ray diffraction and total scattering analysis.

    Science.gov (United States)

    Moore, Michael D; Steinbach, Alison M; Buckner, Ira S; Wildfong, Peter L D

    2009-11-01

    To use advanced powder X-ray diffraction (PXRD) to characterize the structure of anhydrous theophylline following compaction, alone, and as part of a binary mixture with either alpha-lactose monohydrate or microcrystalline cellulose. Compacts formed from (1) pure theophylline and (2) each type of binary mixture were analyzed intact using PXRD. A novel mathematical technique was used to accurately separate multi-component diffraction patterns. The pair distribution function (PDF) of isolated theophylline diffraction data was employed to assess structural differences induced by consolidation and evaluated by principal components analysis (PCA). Changes induced in PXRD patterns by increasing compaction pressure were amplified by the PDF. Simulated data suggest PDF dampening is attributable to molecular deviations from average crystalline position. Samples compacted at different pressures were identified and differentiated using PCA. Samples compacted at common pressures exhibited similar inter-atomic correlations, where excipient concentration factored in the analyses involving lactose. Practical real-space structural analysis of PXRD data by PDF was accomplished for intact, compacted crystalline drug with and without excipient. PCA was used to compare multiple PDFs and successfully differentiated pattern changes consistent with compaction-induced disordering of theophylline as a single component and in the presence of another material.

  4. The IPNS rietveld analysis software package for TOF [time-of-flight] powder diffraction data: Recent developments

    International Nuclear Information System (INIS)

    Rotella, F.J.; Richardson, J.W. Jr.

    1987-01-01

    A system of FORTRAN programs for the analysis of time-of-flight (TOF) neutron powder diffraction data via the Rietveld method at IPNS has been modified recently, making it possible to analyze data that exhibit diffraction maxima broadened due to anisotropic strain and that can be modeled by individual atomic anharmonic thermal vibrations. The observation of noncrystalline scattering in data from some powder samples has led to the development of software to fit such scattering by a function related to a radial distribution function through Fourier-filtering techniques. The ''user friendliness'' of the IPNS Rietveld package has been enhanced by the development of ''RIETVELD,'' a menu-based VAX/VMS command language routine for interactive file manipulation and program execution

  5. Subreflector extension for improved efficiencies in Cassegrain antennas - GTD/PO analysis. [Geometrical Theory of Diffraction/Physical Optics

    Science.gov (United States)

    Rahmat-Samii, Yahya

    1986-01-01

    Both offset and symmetric Cassegrain reflector antennas are used in satellite and ground communication systems. It is known that the subreflector diffraction can degrade the performance of these reflectors. A geometrical theory of diffraction/physical optics analysis technique is used to investigate the effects of the extended subreflector, beyond its optical rim, on the reflector efficiency and far-field patterns. Representative numerical results are shown for an offset Cassegrain reflector antenna with different feed illumination tapers and subreflector extensions. It is observed that for subreflector extensions as small as one wavelength, noticeable improvements in the overall efficiencies can be expected. Useful design data are generated for the efficiency curves and far-field patterns.

  6. Polarization phenomena on coherent particle backscattering by random media

    International Nuclear Information System (INIS)

    Gorodnichev, E.E.; Dudarev, S.L.; Rogozkin, D.B.

    1990-01-01

    An exact solution is found for the problem of coherent enhanced backscattering of spin 1/2 particles by random media with small-radius scatterers. The polarization features in the angular spectrum are analyzed for particles reflected by three- and two-dimensional disordered systems and by medium with Anderson disorder (periodic system of random scatterers). The analysis is carried out in the case of magnetic and spin-orbit interaction with the scattering centers. The effects predicted have not any analogues on coherent backscattering of light and scalar waves

  7. Detailed Analysis of Amplitude and Slope Diffraction Coefficients for knife-edge structure in S-UTD-CH Model

    Directory of Open Access Journals (Sweden)

    Eray Arik

    2017-03-01

    Full Text Available In urban, rural and indoor applications, diffraction mechanism is very important to predict the field strength and calculate the coverage accurately. The diffraction mechanism takes place on NLOS (non-line-of-sight cases like rooftop, vertex, corner, edge and sharp surfaces. S-UTD-CH model computes three type of electromagnetic wave incidence such as direct, reflected and diffracted waves, respectively. As obstacles in diffraction geometry are in the same or closer height, contribution of the diffraction mechanism is dominant. To predict the diffracted fields accurately, amplitude and slope diffraction coefficients and the derivative of these coefficients have to be taken correctly. In this paper, all the derivations about diffraction coefficients are made for knife edge type structures and extensive simulations are performed in order to analyze the amplitude and diffraction coefficients. In plane angle diffraction, contributions of amplitude and slope diffraction coefficient are maxima.

  8. Fibre Diffraction Analysis of Skin Offers a Very Early and Extremely Accurate Diagnostic Test for Prostate Cancer

    Energy Technology Data Exchange (ETDEWEB)

    James, Veronica J. [Research School of Chemistry, Australian National University, Canberra, ACT 0200, Australia; O’Malley Ford, Judith M. [Kedron 7 Day Medical Centre, Kedron, Brisbane, QLD 4005, Australia

    2014-01-01

    Double blind analysis of a batch of thirty skin tissue samples from potential prostate cancer sufferers correctly identified all “control” patients, patients with high and low grade prostate cancers, the presence of benign prostate hyperplasia (BPH), perineural invasions, and the one lymphatic invasion. Identification was by analysis of fibre diffraction patterns interpreted using a schema developed from observations in nine previous studies. The method, schema, and specific experiment results are reported in this paper, with some implications then drawn.

  9. Diffraction dissociation

    International Nuclear Information System (INIS)

    Abarbanel, H.

    1972-01-01

    An attempt is made to analyse the present theoretical situation in the field of diffraction scattering. Two not yet fully answered questions related with a typical diffraction process AB→CD, namely: what is the structure of the transition matrix elements, and what is the structure of the exchange mechanism responsible for the scattering, are formulated and various proposals for answers are reviewed. Interesting general statement that the products (-1)sup(J)P, where J and P are respectively spin and parity, is conserved at each vertex has been discussed. The exchange mechanism in diffractive scattering has been considered using the language of the complex J-plane as the most appropriate. The known facts about the exchange mechanism are recalled and several routs to way out are proposed. The idea to consider the moving pole and associated branch points as like a particle and the associated two and many particle unitarity cuts is described in more details. (S.B.)

  10. On the use of logarithmic scales for analysis of diffraction data.

    Science.gov (United States)

    Urzhumtsev, Alexandre; Afonine, Pavel V; Adams, Paul D

    2009-12-01

    Predictions of the possible model parameterization and of the values of model characteristics such as R factors are important for macromolecular refinement and validation protocols. One of the key parameters defining these and other values is the resolution of the experimentally measured diffraction data. The higher the resolution, the larger the number of diffraction data N(ref), the larger its ratio to the number N(at) of non-H atoms, the more parameters per atom can be used for modelling and the more precise and detailed a model can be obtained. The ratio N(ref)/N(at) was calculated for models deposited in the Protein Data Bank as a function of the resolution at which the structures were reported. The most frequent values for this distribution depend essentially linearly on resolution when the latter is expressed on a uniform logarithmic scale. This defines simple analytic formulae for the typical Matthews coefficient and for the typically allowed number of parameters per atom for crystals diffracting to a given resolution. This simple dependence makes it possible in many cases to estimate the expected resolution of the experimental data for a crystal with a given Matthews coefficient. When expressed using the same logarithmic scale, the most frequent values for R and R(free) factors and for their difference are also essentially linear across a large resolution range. The minimal R-factor values are practically constant at resolutions better than 3 A, below which they begin to grow sharply. This simple dependence on the resolution allows the prediction of expected R-factor values for unknown structures and may be used to guide model refinement and validation.

  11. X-ray diffraction microstructural analysis of bimodal size distribution MgO nano powder

    International Nuclear Information System (INIS)

    Suminar Pratapa; Budi Hartono

    2009-01-01

    Investigation on the characteristics of x-ray diffraction data for MgO powdered mixture of nano and sub-nano particles has been carried out to reveal the crystallite-size-related microstructural information. The MgO powders were prepared by co-precipitation method followed by heat treatment at 500 degree Celsius and 1200 degree Celsius for 1 hour, being the difference in the temperature was to obtain two powders with distinct crystallite size and size-distribution. The powders were then blended in air to give the presumably bimodal-size- distribution MgO nano powder. High-quality laboratory X-ray diffraction data for the powders were collected and then analysed using Rietveld-based MAUD software using the lognormal size distribution. Results show that the single-mode powders exhibit spherical crystallite size (R) of 20(1) nm and 160(1) nm for the 500 degree Celsius and 1200 degree Celsius data respectively with the nano metric powder displays narrower crystallite size distribution character, indicated by lognormal dispersion parameter of 0.21 as compared to 0.01 for the sub-nano metric powder. The mixture exhibits relatively more asymmetric peak broadening. Analysing the x-ray diffraction data for the latter specimen using single phase approach give unrealistic results. Introducing two phase models for the double-phase mixture to accommodate the bimodal-size-distribution characteristics give R = 100(6) and σ = 0.62 for the nano metric phase and R = 170(5) and σ= 0.12 for the σ sub-nano metric phase. (author)

  12. Instrument and method for X-ray diffraction, fluorescence, and crystal texture analysis without sample preparation

    Science.gov (United States)

    Gendreau, Keith (Inventor); Martins, Jose Vanderlei (Inventor); Arzoumanian, Zaven (Inventor)

    2010-01-01

    An X-ray diffraction and X-ray fluorescence instrument for analyzing samples having no sample preparation includes a X-ray source configured to output a collimated X-ray beam comprising a continuum spectrum of X-rays to a predetermined coordinate and a photon-counting X-ray imaging spectrometer disposed to receive X-rays output from an unprepared sample disposed at the predetermined coordinate upon exposure of the unprepared sample to the collimated X-ray beam. The X-ray source and the photon-counting X-ray imaging spectrometer are arranged in a reflection geometry relative to the predetermined coordinate.

  13. Diffractive axicons in oblique illumination: analysis and experiments and comparison with elliptical axicons.

    Science.gov (United States)

    Thaning, Anna; Jaroszewicz, Zbigniew; Friberg, Ari T

    2003-01-01

    Axicons in oblique illumination produce broadened focal lines, a problem, e.g., in scanning applications. A compact mathematical description of the focal segment is presented, for the first time, to our knowledge, and the results are compared with elliptical axicons in normal illumination. In both cases, analytical expressions in the form of asteroid curves are obtained from asymptotic wave theory and caustic surfaces. The results are confirmed by direct diffraction simulations and by experiments. In addition we show that at a fixed angle an elliptical axicon can be used to compensate for the adverse effects of oblique illumination.

  14. A semiclassical analysis of high energy electron diffraction by stacking faults: arrival at the classical limit

    International Nuclear Information System (INIS)

    Smith, A.E.; Chadderton, L.T.

    1978-01-01

    In a recent note the authors summarised results for an extension of Berry's theory to cover the one-dimensional problem of systematic reflections (planes) for a thin crystal sandwich consisting of two identical slabs of lattice parameter 'a' with a relative horizontal displacement 'f'. The diffraction amplitudes at the lower surface of the crystal were shown to depend on a double summation over the various transverse energy states in the upper and lower slab respectively, and on the transitions between them. In this report the authors demonstrate the arrival at the classical limit for the problem and, in particular, indicate briefly the nature of the topologically different classical paths. (Auth.)

  15. Texture of poled tetragonal PZT detected by synchrotron X-ray diffraction and micromechanics analysis

    International Nuclear Information System (INIS)

    Hall, D.A.; Steuwer, A.; Cherdhirunkorn, B.; Withers, P.J.; Mori, T.

    2005-01-01

    The texture and lattice elastic strain due to electrical poling of tetragonal PZT (lead zirconate titanate) ceramics have been measured using high energy synchrotron X-ray diffraction. It is shown that XRD peak intensity ratios associated with crystal planes of the form {002}, {112} and {202} exhibit a linear dependence on cos-bar 2 Ψ, where Ψ represents the orientation angle between the plane normal and the macroscopic poling axis. The observed dependence of texture and lattice strain on the grain orientation can be understood on the basis that the macroscopic strain due to poling is the average of the poling strains of all the individual grains

  16. Crystallization and preliminary X-ray diffraction analysis of PAT, an acetyltransferase from Sulfolobus solfataricus

    International Nuclear Information System (INIS)

    Cho, Ching-Chang; Luo, Ching-Wei; Hsu, Chun-Hua

    2008-01-01

    PAT, an acetyltransferase from the archaeon S. solfataricus that specifically acetylates the chromatin protein Alba, was expressed, purified and crystallized. PAT is an acetyltransferase from the archaeon Sulfolobus solfataricus that specifically acetylates the chromatin protein Alba. The enzyme was expressed, purified and subsequently crystallized using the sitting-drop vapour-diffusion technique. Native diffraction data were collected to 1.70 Å resolution on the BL13C1 beamline of NSRRC from a flash-frozen crystal at 100 K. The crystals belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 44.30, b = 46.59, c = 68.39 Å

  17. Diffraction attraction

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    Elastic scattering – when colliding particles 'bounce' off each other like billiard balls – has always had a special interest for high energy physicists. While its simplicity makes for deep analogies with classical ideas like diffraction, its jbtle details also test our understanding of the intricate inner mechanisms which drive particle interactions. With a new stock of elastic scattering data now available thanks to experiments at the CERN proton-antiproton Collider, and with studies at higher energies imminent or planned, some seventy physicists gathered in the magnificent chateau at Blois, France, for a 'Workshop on Elastic and Diffractive Scattering at the Collider and Beyond'

  18. Diffractive scattering

    CERN Document Server

    De Wolf, E.A.

    2002-01-01

    We discuss basic concepts and properties of diffractive phenomena in soft hadron collisions and in deep-inelastic scattering at low Bjorken-x. The paper is not a review of the rapidly developing field but presents an attempt to show in simple terms the close inter-relationship between the dynamics of high-energy hadronic and deep-inelastic diffraction. Using the saturation model of Golec-Biernat and Wusthoff as an example, a simple explanation of geometrical scaling is presented. The relation between the QCD anomalous multiplicity dimension and the Pomeron intercept is discussed.

  19. Diffractive Scattering

    International Nuclear Information System (INIS)

    Wolf, E.A. de

    2002-01-01

    We discuss basic concepts and properties of diffractive phenomena in soft hadron collisions and in deep-inelastic scattering at low Bjorken - x. The paper is not a review of the rapidly developing field but presents an attempt to show in simple terms the close inter-relationship between the dynamics of high-energy hadronic and deep-inelastic diffraction. Using the saturation model of Golec-Biernat and Wuesthoff as an example, a simple explanation of geometrical scaling is presented. The relation between the QCD anomalous multiplicity dimension and the Pomeron intercept is discussed. (author)

  20. Diffraction attraction

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1986-03-15

    Elastic scattering – when colliding particles 'bounce' off each other like billiard balls – has always had a special interest for high energy physicists. While its simplicity makes for deep analogies with classical ideas like diffraction, its jbtle details also test our understanding of the intricate inner mechanisms which drive particle interactions. With a new stock of elastic scattering data now available thanks to experiments at the CERN proton-antiproton Collider, and with studies at higher energies imminent or planned, some seventy physicists gathered in the magnificent chateau at Blois, France, for a 'Workshop on Elastic and Diffractive Scattering at the Collider and Beyond'.

  1. Purification, crystallization and preliminary X-ray diffraction analysis of the HMG domain of Sox17 in complex with DNA

    International Nuclear Information System (INIS)

    Ng, Calista Keow Leng; Palasingam, Paaventhan; Venkatachalam, Rajakannan; Baburajendran, Nithya; Cheng, Jason; Jauch, Ralf; Kolatkar, Prasanna R.

    2008-01-01

    Crystals of the Sox17 HMG domain bound to LAMA1 enhancer DNA-element crystals that diffracted to 2.75 Å resolution were obtained. Sox17 is a member of the SRY-related high-mobility group (HMG) of transcription factors that have been shown to direct endodermal differentiation in early mammalian development. The LAMA1 gene encoding the α-chain of laminin-1 has been reported to be directly bound and regulated by Sox17. This paper describes the details of initial crystallization attempts with the HMG domain of mouse Sox17 (mSox17-HMG) with a 16-mer DNA element derived from the LAMA1 enhancer and optimization strategies to obtain a better diffracting crystal. The best diffracting crystal was obtained in a condition containing 0.1 M Tris–HCl pH 7.4, 0.2 M MgCl 2 , 30% PEG 3350 using the hanging-drop vapour-diffusion method. A highly redundant in-house data set was collected to 2.75 Å resolution with 99% completeness. The presence of the mSox17-HMG–DNA complex within the crystals was confirmed and Matthews analysis indicated the presence of one complex per asymmetric unit

  2. Crystallization and preliminary X-ray diffraction analysis of the lytic transglycosylase MltE from Escherichia coli

    International Nuclear Information System (INIS)

    Artola-Recolons, Cecilia; Llarrull, Leticia I.; Lastochkin, Elena; Mobashery, Shahriar; Hermoso, Juan A.

    2010-01-01

    Crystals of the lytic transglycosylase MltE from E. coli were grown using the microbatch method and diffracted to a resolution of 2.1 Å. MltE from Escherichia coli (193 amino acids, 21 380 Da) is a lytic transglycosylase that initiates the first step of cell-wall recycling. This enzyme is responsible for the cleavage of the cell-wall peptidoglycan at the β-1,4-glycosidic bond between the N-acetylglucosamine and N-acetylmuramic acid units. At the end this reaction generates a disaccharide that is internalized and initiates the recycling process. To obtain insights into the biological functions of MltE, crystallization trials were performed and crystals of MltE protein that were suitable for X-ray diffraction analysis were obtained. The MltE protein of E. coli was crystallized using the hanging-drop vapour-diffusion method at 291 K. Crystals grew from a mixture consisting of 28% polyethylene glycol 4000, 0.1 M Tris pH 8.4 and 0.2 M magnesium chloride. Further optimization was performed using the microbatch technique. Single crystals were obtained that belonged to the orthorhombic space group C222 1 , with unit-cell parameters a = 123.32, b = 183.93, c = 35.29 Å, and diffracted to a resolution of 2.1 Å

  3. Crystallization and preliminary X-ray diffraction analysis of a specific VHH domain against mouse prion protein

    International Nuclear Information System (INIS)

    Abskharon, Romany N. N.; Soror, Sameh H.; Pardon, Els; El Hassan, Hassan; Legname, Giuseppe; Steyaert, Jan; Wohlkonig, Alexandre

    2010-01-01

    The crystallization of a specific nanobody against mouse PrP C and preliminary diffraction analysis of a crystal that diffracted to 1.23 Å resolution are presented. Prion disorders are infectious diseases that are characterized by the conversion of the cellular prion protein PrP C into the pathogenic isoform PrP Sc . Specific antibodies that interact with the cellular prion protein have been shown to inhibit this transition. Recombinant VHHs (variable domain of dromedary heavy-chain antibodies) or nanobodies are single-domain antibodies, making them the smallest antigen-binding fragments. A specific nanobody (Nb-PrP-01) was raised against mouse PrP C . A crystallization condition for this recombinant nanobody was identified using high-throughput screening. The crystals were optimized using streak-seeding and the hanging-drop method. The crystals belonged to the orthorhombic space group P2 1 2 1 2 1 , with unit-cell parameters a = 30.04, b = 37.15, c = 83.00 Å, and diffracted to 1.23 Å resolution using synchrotron radiation. The crystal structure of this specific nanobody against PrP C together with the known PrP C structure may help in understanding the PrP C /PrP Sc transition mechanism

  4. Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of the regulator AcrR from Escherichia coli

    International Nuclear Information System (INIS)

    Li, Ming; Qiu, Xi; Su, Chih-Chia; Long, Feng; Gu, Ruoyu; McDermott, Gerry; Yu, Edward W.

    2006-01-01

    The transcriptional regulator AcrR from Escherichia coli has been cloned, overexpressed, purified and crystallized and X-ray diffraction data have been collected to a resolution of 2.5 Å. This paper describes the cloning, expression, purification and preliminary X-ray data analysis of the AcrR regulatory protein. The Escherichia coli AcrR is a member of the TetR family of transcriptional regulators. It regulates the expression of the AcrAB multidrug transporter. Recombinant AcrR with a 6×His tag at the C-terminus was expressed in E. coli and purified by metal-affinity chromatography. The protein was crystallized using hanging-drop vapor diffusion. X-ray diffraction data were collected from cryocooled crystals at a synchrotron light source. The best crystal diffracted to 2.5 Å. The space group was determined to be P3 2 , with unit-cell parameters a = b = 46.61, c = 166.16 Å

  5. Fundamentals and applications of neutron diffraction. Applications 7. Crystal structure analysis of fuel cell materials by means of neutron diffractometry

    International Nuclear Information System (INIS)

    Itoh, Takanori

    2010-01-01

    Perovskite oxides, which have 'A' atoms of an alkaline earth metal and/or a rare earth metal and 'B' atoms of a transition metal, have considerable potential for use in electrochemical devices such as cathodes of solid oxide fuel cells (SOFC), oxygen pumps, oxygen sensors, catalysts, and other devices such as oxygen separation membranes. The oxygen ion behavior is studied with relation performance of electrochemical devices. I have analyzed the crystal structure of SOFC materials by neutron diffraction. Using the Rietveld refinement technique, I showed that the O1(4c) and O2(8d) sites in a perovskite oxide of SOFC cathode material has different oxygen site occupancies. Furthermore, oxygen diffusion behavior is associated with temperature dependence of oxygen anisotropic atomic displacement parameters. The maximum entropy method (MEM) analysis of neutron diffraction measurements revealed nuclear scattering length distribution at high temperature by three-dimensional images in detail, therefore 1 found oxygen diffusion pass and new proton site in SOFC materials. From these results, neutron diffraction is confirmed to be very useful tool for the study of light element behavior in fuel cell materials. (author)

  6. Crystallization and preliminary X-ray diffraction analysis of the peptidylprolyl isomerase Par27 of Bordetella pertussis

    International Nuclear Information System (INIS)

    Wohlkönig, Alexandre; Hodak, Hélène; Clantin, Bernard; Sénéchal, Magalie; Bompard, Coralie; Jacob-Dubuisson, Françoise; Villeret, Vincent

    2008-01-01

    Par27 from B. pertussis, the prototype of a new group of parvulins has been crystallized in two different crystal forms. Proteins with both peptidylprolyl isomerase (PPIase) and chaperone activities play a crucial role in protein folding in the periplasm of Gram-negative bacteria. Few such proteins have been structurally characterized and to date only the crystal structure of SurA from Escherichia coli has been reported. Par27, the prototype of a new group of parvulins, has recently been identified. Par27 exhibits both chaperone and PPIase activities in vitro and is the first identified parvulin protein that forms dimers in solution. Par27 has been expressed in E. coli. The protein was purified using affinity and gel-filtration chromatographic techniques and crystallized in two different crystal forms. Form A, which belongs to space group P2 (unit-cell parameters a = 42.2, b = 142.8, c = 56.0 Å, β = 95.1°), diffracts to 2.8 Å resolution, while form B, which belongs to space group C222 (unit-cell parameters a = 54.6, b = 214.1, c = 57.8 Å), diffracts to 2.2 Å resolution. Preliminary diffraction data analysis agreed with the presence of one monomer in the asymmetric unit of the orthorhombic crystal form and two in the monoclinic form

  7. Crystallization and preliminary X-ray diffraction analysis of recombinant hepatitis E virus-like particle

    International Nuclear Information System (INIS)

    Wang, Che-Yen; Miyazaki, Naoyuki; Yamashita, Tetsuo; Higashiura, Akifumi; Nakagawa, Atsushi; Li, Tian-Cheng; Takeda, Naokazu; Xing, Li; Hjalmarsson, Erik; Friberg, Claes; Liou, Der-Ming; Sung, Yen-Jen; Tsukihara, Tomitake; Matsuura, Yoshiharu; Miyamura, Tatsuo; Cheng, R. Holland

    2008-01-01

    A recombinant virus-like particle that is a potential oral hepatitis E vaccine was crystallized. Diffraction data were collected to 8.3 Å resolution and the X-ray structure was phased with the aid of a low-resolution density map determined using cryo-electron microscopy data. Hepatitis E virus (HEV) accounts for the majority of enterically transmitted hepatitis infections worldwide. Currently, there is no specific treatment for or vaccine against HEV. The major structural protein is derived from open reading frame (ORF) 2 of the viral genome. A potential oral vaccine is provided by the virus-like particles formed by a protein construct of partial ORF3 protein (residue 70–123) fused to the N-terminus of the ORF2 protein (residues 112–608). Single crystals obtained by the hanging-drop vapour-diffusion method at 293 K diffract X-rays to 8.3 Å resolution. The crystals belong to space group P2 1 2 1 2 1 , with unit-cell parameters a = 337, b = 343, c = 346 Å, α = β = γ = 90°, and contain one particle per asymmetric unit

  8. Purification, crystallization and preliminary X-ray diffraction analysis of human Gadd45γ

    International Nuclear Information System (INIS)

    Zhang, Wenzheng; Zhao, Mingzhuo; Li, Jianhui; Li, Xuemei; Zeng, ZongHao; Rao, Zihe

    2008-01-01

    The human Gadd45γ protein has been crystallized as a prelude towards determination of its three-dimensional structure by X-ray crystallography. Gadd45, MyD118 and CR6 (also termed Gadd45α, Gadd45β and Gadd45γ, respectively) comprise a family of proteins that play important roles in negative growth control, maintenance of genomic stability, DNA repair, cell-cycle control and apoptosis. Recombinant human Gadd45γ and its selenomethionine derivative were expressed in an Escherichia coli expression system and purified; they were then crystallized using the hanging-drop vapour-diffusion method. Diffraction-quality crystals were grown at 291 K using PEG 3350 as precipitant. Using synchrotron radiation, the best diffraction data were collected to 2.3 Å resolution for native crystals at 100 K; selenomethionyl derivative data were collected to 3.3 Å resolution. All the crystals belonged to space group I2 1 3, with approximate unit-cell parameters a = b = c = 126 Å

  9. High resolution x-ray diffraction analysis of annealed low-temperature gallium arsenide

    Science.gov (United States)

    Matyi, R. J.; Melloch, M. R.; Woodall, J. M.

    1992-05-01

    High resolution x-ray diffraction methods have been used to characterize GaAs grown at low substrate temperatures by molecular beam epitaxy and to examine the effects of post-growth annealing on the structure of the layers. Double crystal rocking curves from the as-deposited epitaxial layer show well-defined interference fringes, indicating a high level of structural perfection despite the presence of excess arsenic. Annealing at temperatures from 700 to 900 °C resulted in a decrease in the perpendicular lattice mismatch between the GaAs grown at low temperature and the substrate from 0.133% to 0.016% and a decrease (but not total elimination) of the visibility of the interference fringes. Triple-crystal diffraction scans around the 004 point in reciprocal space exhibited an increase in the apparent mosaic spread of the epitaxial layer with increasing anneal temperature. The observations are explained in terms of the growth of arsenic precipitates in the epitaxial layer.

  10. Expression, purification, crystallization and preliminary X-ray diffraction analysis of nurse shark β2-microglobulin

    International Nuclear Information System (INIS)

    Lu, Shuangshuang; Yao, Shugang; Chen, Rong; Zhang, Nianzhi; Chen, Jianmin; Gao, Feng; Xia, Chun

    2012-01-01

    A crystal of nurse shark β 2 -microglobulin diffracted to 2.3 Å resolution and belonged to space group P3 2 21, with unit-cell parameters a = b = 88.230, c = 67.146 Å and two molecules per asymmetric unit. The Matthews coefficient V M was calculated to be about 3.28 Å 3 Da −1 , corresponding to 62.5% solvent content. β 2 -Microglobulin (β 2 m) is an essential subunit of the major histocompatibility complex (MHC) class I molecule that helps to stabilize the structure of peptide–MHC I (pMHC I). It is also one of the typical immunoglobulin superfamily (IgSF) molecules in the adaptive immune system (AIS). Sharks belong to the cartilaginous fish, which are the oldest jawed vertebrate ancestors with an AIS to exist in the world. Thus, the study of cartilaginous fish β 2 m would help in understanding the evolution of IgSF molecules. In order to demonstrate this, β 2 m from a cartilaginous fish, nurse shark (Ginglymostoma cirratum), was expressed, refolded, purified and crystallized. Diffraction data were collected to a resolution of 2.3 Å. The crystal belonged to space group P3 2 21, with unit-cell parameters a = b = 88.230, c = 67.146 Å. The crystal structure contained two molecules in the asymmetric unit. The results will provide structural information for study of the evolution of β 2 m and IgSF in the AIS

  11. Crystallization and preliminary X-ray diffraction analysis of Nsp15 from SARS coronavirus

    International Nuclear Information System (INIS)

    Ricagno, Stéfano; Coutard, Bruno; Grisel, Sacha; Brémond, Nicolas; Dalle, Karen; Tocque, Fabienne; Campanacci, Valérie; Lichière, Julie; Lantez, Violaine; Debarnot, Claire; Cambillau, Christian; Canard, Bruno; Egloff, Marie-Pierre

    2006-01-01

    Crystals of Nsp15 from the aetiological agent of SARS have been grown at room temperature. Crystals have cubic symmetry and diffract to a maximum resolution of 2.7 Å. The non-structural protein Nsp15 from the aetiological agent of SARS (severe acute respiratory syndrome) has recently been characterized as a uridine-specific endoribonuclease. This enzyme plays an essential role in viral replication and transcription since a mutation in the related H229E human coronavirus nsp15 gene can abolish viral RNA synthesis. SARS full-length Nsp15 (346 amino acids) has been cloned and expressed in Escherichia coli with an N-terminal hexahistidine tag and has been purified to homogeneity. The protein was subsequently crystallized using PEG 8000 or 10 000 as precipitants. Small cubic crystals of the apoenzyme were obtained from 100 nl nanodrops. They belong to space group P4 1 32 or P4 3 32, with unit-cell parameters a = b = c = 166.8 Å. Diffraction data were collected to a maximum resolution of 2.7 Å

  12. Analysis of Heuristic Uniform Theory of Diffraction Coefficients for Electromagnetic Scattering Prediction

    Directory of Open Access Journals (Sweden)

    Diego Tami

    2018-01-01

    Full Text Available We discuss three sets of heuristic coefficients used in uniform theory of diffraction (UTD to characterize the electromagnetic scattering in realistic urban scenarios and canonical examples of diffraction by lossy conducting wedges using the three sets of heuristic coefficients and the Malyuzhinets solution as reference model. We compare not only the results of the canonical models but also their implementation in real outdoor scenarios. To predict the coverage of mobile networks, we used propagation models for outdoor environments by using a 3D ray-tracing model based on a brute-force algorithm for ray launching and a propagation model based on image theory. To evaluate each set of coefficients, we analyzed the mean and standard deviation of the absolute error between estimates and measured data in Ottawa, Canada; Valencia, Spain; and Cali, Colombia. Finally, we discuss the path loss prediction for each set of heuristic UTD coefficients in outdoor environment, as well as the comparison with the canonical results.

  13. Crystallization and preliminary X-ray diffraction analysis of the fructofuranosidase from Schwanniomyces occidentalis

    International Nuclear Information System (INIS)

    Polo, Aitana; Álvaro-Benito, Miguel; Fernández-Lobato, María; Sanz-Aparicio, Julia

    2009-01-01

    The invertase from Schwanniomyces occidentalis has been expressed in Saccharomyces cerevisiae, purified and crystallized. The wild-type enzyme was also purified and crystallized and diffraction data were collected to 2.9 Å resolution. Schwanniomyces occidentalis invertase is an extracellular enzyme that releases β-fructose from the nonreducing termini of various β-d-fructofuranoside substrates. Its ability to produce 6-kestose by transglycosylation makes this enzyme an interesting research target for applications in industrial biotechnology. The enzyme has been expressed in Saccharomyces cerevisiae. Recombinant and wild-type forms, which showed different glycosylation patterns, were crystallized by vapour-diffusion methods. Although crystallization trials were conducted on both forms of the protein, crystals suitable for X-ray crystallographic analyses were only obtained from the wild-type enzyme. The crystals belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 105.78, b = 119.49, c = 137.68 Å. A diffraction data set was collected using a synchrotron source. Self-rotation function and sedimentation-velocity experiments suggested that the enzyme was dimeric with twofold symmetry

  14. Texture analysis of a friction stir processed 6061-T6 aluminum alloy using neutron diffraction

    International Nuclear Information System (INIS)

    Woo, W.; Choo, H.; Brown, D.W.; Vogel, S.C.; Liaw, P.K.; Feng, Z.

    2006-01-01

    Time-of-flight neutron diffraction was used to investigate the texture changes in friction stir-processed (FSP) 6061-T6 aluminum alloy plates. Two different specimens were prepared with the purpose of separating the effects of frictional heating and severe plastic deformation on the changes of the preferred orientation in the as-received rolled plates: a plate processed with both stirring pin and tool shoulder, i.e., a regular FSP plate subjected to both severe plastic deformation and frictional heating (Case 1); and a plate processed only with the tool shoulder, i.e., subjected mainly to frictional heating (Case 2). The diffraction peak intensities provide insights into the texture variations at various locations across the centerline and through the thickness of the FSP plates. Comparison of the texture variations between Cases 1 and 2 clearly shows that the severe plastic deformation from the stirring pin affects the preferred orientation during the FSP, while heating alone from the tool shoulder has little effect

  15. Crystallization and preliminary X-ray diffraction analysis of human endoplasmic reticulum aminopeptidase 2

    International Nuclear Information System (INIS)

    Ascher, David B.; Polekhina, Galina; Parker, Michael W.

    2012-01-01

    The luminal domain of human endoplasmic reticulum aminopeptidase 2 has been expressed, purified and crystallized. The crystals belonged to the orthorhombic space group P2 1 2 1 2 and diffracted anisotropically to 3.3 Å resolution in the best direction on an in-house source. Endoplasmic reticulum aminopeptidase 2 (ERAP2) is a critical enzyme involved in the final processing of MHC class I antigens. Peptide trimming by ERAP2 and the other members of the oxytocinase subfamily is essential to customize longer precursor peptides in order to fit them to the correct length required for presentation on major histocompatibility complex class I molecules. While recent structures of ERAP1 have provided an understanding of the ‘molecular-ruler’ mechanism of substrate selection, little is known about the complementary activities of its homologue ERAP2 despite their sharing 49% sequence identity. In order to gain insights into the structure–function relationship of the oxytocinase subfamily, and in particular ERAP2, the luminal region of human ERAP2 has been crystallized in the presence of the inhibitor bestatin. The crystals belonged to an orthorhombic space group and diffracted anisotropically to 3.3 Å resolution in the best direction on an in-house X-ray source. A molecular-replacement solution suggested that the enzyme has adopted the closed state as has been observed in other inhibitor-bound aminopeptidase structures

  16. Crystallization and preliminary X-ray diffraction analysis of Nsp15 from SARS coronavirus

    Energy Technology Data Exchange (ETDEWEB)

    Ricagno, Stéfano; Coutard, Bruno; Grisel, Sacha; Brémond, Nicolas; Dalle, Karen; Tocque, Fabienne; Campanacci, Valérie; Lichière, Julie; Lantez, Violaine; Debarnot, Claire; Cambillau, Christian; Canard, Bruno; Egloff, Marie-Pierre, E-mail: marie-pierre.egloff@afmb.univ-mrs.fr [Centre National de la Recherche Scientifique and Universités d’Aix-Marseille I et II, UMR 6098, Architecture et Fonction des Macromolécules Biologiques, Ecole Supérieure d’Ingénieurs de Luminy-Case 925, 163 Avenue de Luminy, 13288 Marseille CEDEX 9 (France)

    2006-04-01

    Crystals of Nsp15 from the aetiological agent of SARS have been grown at room temperature. Crystals have cubic symmetry and diffract to a maximum resolution of 2.7 Å. The non-structural protein Nsp15 from the aetiological agent of SARS (severe acute respiratory syndrome) has recently been characterized as a uridine-specific endoribonuclease. This enzyme plays an essential role in viral replication and transcription since a mutation in the related H229E human coronavirus nsp15 gene can abolish viral RNA synthesis. SARS full-length Nsp15 (346 amino acids) has been cloned and expressed in Escherichia coli with an N-terminal hexahistidine tag and has been purified to homogeneity. The protein was subsequently crystallized using PEG 8000 or 10 000 as precipitants. Small cubic crystals of the apoenzyme were obtained from 100 nl nanodrops. They belong to space group P4{sub 1}32 or P4{sub 3}32, with unit-cell parameters a = b = c = 166.8 Å. Diffraction data were collected to a maximum resolution of 2.7 Å.

  17. Diffraction. Powder, amorphous, liquid

    International Nuclear Information System (INIS)

    Sosnowska, I.M.

    1999-01-01

    Neutron powder diffraction is a unique tool to observe all possible diffraction effects appearing in crystal. High-resolution neutron diffractometers have to be used in this study. Analysis of the magnetic structure of polycrystalline materials requires the use of high-resolution neutron diffraction in the range of large interplanar distances. As distinguished from the double axis diffractometers (DAS), which show high resolution only at small interplanar distances, TOF (time-of-flight) diffractometry offers the best resolution at large interplanar distances. (K.A.)

  18. On the use of logarithmic scales for analysis of diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Urzhumtsev, Alexandre, E-mail: sacha@igbmc.fr [IGBMC, CNRS-INSERM-UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Physics Department, University of Nancy, BP 239, Faculté des Sciences et des Technologies, 54506 Vandoeuvre-lès-Nancy (France); Afonine, Pavel V. [Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States); Department of Bioengineering, University of California Berkeley, Berkeley, CA 94720 (United States); IGBMC, CNRS-INSERM-UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France)

    2009-12-01

    Conventional and free R factors and their difference, as well as the ratio of the number of measured reflections to the number of atoms in the crystal, were studied as functions of the resolution at which the structures were reported. When the resolution was taken uniformly on a logarithmic scale, the most frequent values of these functions were quasi-linear over a large resolution range. Predictions of the possible model parameterization and of the values of model characteristics such as R factors are important for macromolecular refinement and validation protocols. One of the key parameters defining these and other values is the resolution of the experimentally measured diffraction data. The higher the resolution, the larger the number of diffraction data N{sub ref}, the larger its ratio to the number N{sub at} of non-H atoms, the more parameters per atom can be used for modelling and the more precise and detailed a model can be obtained. The ratio N{sub ref}/N{sub at} was calculated for models deposited in the Protein Data Bank as a function of the resolution at which the structures were reported. The most frequent values for this distribution depend essentially linearly on resolution when the latter is expressed on a uniform logarithmic scale. This defines simple analytic formulae for the typical Matthews coefficient and for the typically allowed number of parameters per atom for crystals diffracting to a given resolution. This simple dependence makes it possible in many cases to estimate the expected resolution of the experimental data for a crystal with a given Matthews coefficient. When expressed using the same logarithmic scale, the most frequent values for R and R{sub free} factors and for their difference are also essentially linear across a large resolution range. The minimal R-factor values are practically constant at resolutions better than 3 Å, below which they begin to grow sharply. This simple dependence on the resolution allows the prediction of

  19. Elements of seismic imaging and velocity analysis – Forward modeling and diffraction analysis of conventional seismic data from the North Sea

    DEFF Research Database (Denmark)

    Montazeri, Mahboubeh

    2018-01-01

    comprises important oil and gas reservoirs. By application of well-established conventional velocity analysis methods and high-quality diffraction imaging techniques, this study aims to increase the resolution and the image quality of the seismic data. In order to analyze seismic wave propagation......-outs and salt delineations, which can be extracted from the diffractions. The potential of diffraction imaging techniques was studied for 2D seismic stacked data from the North Sea. In this approach, the applied plane-wave destruction method was successful in order to suppress the reflections from the stacked....... This improved seismic imaging is demonstrated for a salt structure as well as for Overpressured Shale structures and the Top Chalk of the North Sea....

  20. Purification, crystallization and X-ray diffraction analysis of human dynamin-related protein 1 GTPase-GED fusion protein

    International Nuclear Information System (INIS)

    Klinglmayr, Eva; Wenger, Julia; Mayr, Sandra; Bossy-Wetzel, Ella; Puehringer, Sandra

    2012-01-01

    The crystallization and initial diffraction analysis of human Drp1 GTPase-GED fusion protein are reported. The mechano-enzyme dynamin-related protein 1 plays an important role in mitochondrial fission and is implicated in cell physiology. Dysregulation of Drp1 is associated with abnormal mitochondrial dynamics and neuronal damage. Drp1 shares structural and functional similarities with dynamin 1 with respect to domain organization, ability to self-assemble into spiral-like oligomers and GTP-cycle-dependent membrane scission. Structural studies of human dynamin-1 have greatly improved the understanding of this prototypical member of the dynamin superfamily. However, high-resolution structural information for full-length human Drp1 covering the GTPase domain, the middle domain and the GTPase effector domain (GED) is still lacking. In order to obtain mechanistic insights into the catalytic activity, a nucleotide-free GTPase-GED fusion protein of human Drp1 was expressed, purified and crystallized. Initial X-ray diffraction experiments yielded data to 2.67 Å resolution. The hexagonal-shaped crystals belonged to space group P2 1 2 1 2, with unit-cell parameters a = 53.59, b = 151.65, c = 43.53 Å, one molecule per asymmetric unit and a solvent content of 42%. Expression of selenomethionine-labelled protein is currently in progress. Here, the expression, purification, crystallization and X-ray diffraction analysis of the Drp1 GTPase-GED fusion protein are presented, which form a basis for more detailed structural and biophysical analysis

  1. Preliminary neutron diffraction analysis of challenging human manganese superoxide dismutase crystals.

    Science.gov (United States)

    Azadmanesh, Jahaun; Trickel, Scott R; Weiss, Kevin L; Coates, Leighton; Borgstahl, Gloria E O

    2017-04-01

    Superoxide dismutases (SODs) are enzymes that protect against oxidative stress by dismutation of superoxide into oxygen and hydrogen peroxide through cyclic reduction and oxidation of the active-site metal. The complete enzymatic mechanisms of SODs are unknown since data on the positions of hydrogen are limited. Here, methods are presented for large crystal growth and neutron data collection of human manganese SOD (MnSOD) using perdeuteration and the MaNDi beamline at Oak Ridge National Laboratory. The crystal from which the human MnSOD data set was obtained is the crystal with the largest unit-cell edge (240 Å) from which data have been collected via neutron diffraction to sufficient resolution (2.30 Å) where hydrogen positions can be observed.

  2. Analysis of macro and micro residual stresses in functionally graded materials by diffraction methods

    CERN Document Server

    Dantz, D; Reimers, W

    1999-01-01

    The residual stress state in microwave sintered metal-ceramic functionally graded materials (FGM) consisting of 8Y-ZrO/sub 2//Ni and 8Y-ZrO/sub 2//NiCr8020, respectively, was analysed by non- destructive diffraction methods. In $9 order to get knowledge of the complete residual stress state in the near surface region as well as in the interior of the material, complementary methods were applied. Whereas the surface was characterised by X-ray techniques using $9 conventional sources, the stresses within the bulk of the material were investigated by means of high energy synchrotron radiation. The stress state was found to obey the differences in the coefficients of thermal expansion $9 (micro-stresses) on the one hand and the inhomogeneous cooling conditions (macrostresses) on the other hand. (7 refs).

  3. Analysis of dislocation loops by means of large-angle convergent beam electron diffraction

    CERN Document Server

    Jäger, C; Morniroli, J P; Jäger, W

    2002-01-01

    Diffusion-induced dislocation loops in GaP and GaAs were analysed by means of large-angle convergent beam electron diffraction (LACBED) and conventional contrast methods of transmission electron microscopy. It is demonstrated that LACBED is perfectly suited for use in analysing dislocation loops. The method combines analyses of the dislocation-induced splitting of Bragg lines in a LACBED pattern for the determination of the Burgers vector with analyses of the loop contrast behaviour in transmission electron microscopy bright-field images during tilt experiments, from which the habit plane of the dislocation loop is determined. Perfect dislocation loops formed by condensation of interstitial atoms or vacancies were found, depending on the diffusion conditions. The loops possess left brace 110 right brace-habit planes and Burgers vectors parallel to (110). The LACBED method findings are compared with results of contrast analyses based on the so-called 'inside-outside' contrast of dislocation loops. Advantages o...

  4. Purification, crystallization and preliminary X-ray diffraction analysis of the glyoxalase II from Leishmania infantum

    International Nuclear Information System (INIS)

    Trincão, José; Sousa Silva, Marta; Barata, Lídia; Bonifácio, Cecília; Carvalho, Sandra; Tomás, Ana Maria; Ferreira, António E. N.; Cordeiro, Carlos; Ponces Freire, Ana; Romão, Maria João

    2006-01-01

    A glyoxalase II from L. infantum was cloned, purified and crystallized and its structure was solved by X-ray crystallography. In trypanosomatids, trypanothione replaces glutathione in all glutathione-dependent processes. Of the two enzymes involved in the glyoxalase pathway, glyoxalase I and glyoxalase II, the latter shows absolute specificity towards trypanothione thioester, making this enzyme an excellent model to understand the molecular basis of trypanothione binding. Cloned glyoxalase II from Leishmania infantum was overexpressed in Escherichia coli, purified and crystallized. Crystals belong to space group C222 1 (unit-cell parameters a = 65.6, b = 88.3, c = 85.2 Å) and diffract beyond 2.15 Å using synchrotron radiation. The structure was solved by molecular replacement using the human glyoxalase II structure as a search model. These results, together with future detailed kinetic characterization using lactoyltrypanothione, should shed light on the evolutionary selection of trypanothione instead of glutathione by trypano-somatids

  5. Neutron diffraction analysis of HRh[P(C6H5)3]4

    International Nuclear Information System (INIS)

    Bau, R.; Stevens, R.C.; McLean, M.; Koetzle, T.F.

    1987-01-01

    We have collected neutron diffraction data on a large single crystal of the title compound. The most surprising result is an extremely short Rh-H distance of 1.31(8) A, presumably caused by steric interactions involving the bulky triphenyl phosphine ligands. Crystallographic details: HRh[P(C 6 H 5 ) 3 ] 4 . 1 / 2 C 6 H 6 crystallizes in the space group Pa3, with a = b = c = 22.776(3) A, Z = 8. Data were collected at the Brookhaven High Flux Beam reactor at a temperature of -23 0 C, λ = 1.15882(7) A -1 . Least-squares refinement (in which the phenyl rings were treated as rigid groups) resulted in an R factor [based on data with f > 4σ(F)] of 0.12 for 914 reflections and 95 parameters. 10 refs

  6. X-ray powder diffraction analysis of liquid-phase-sintered silicon carbide ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Ortiz, A.L.; Sanchez-Bajo, F. [Universidad de Extremadura, Badajoz (Spain). Dept. de Electronica e Ingenieria Electromecanica; Cumbrera, F.L. [Universidad de Extremadura, Badajoz (Spain). Dept. de Fisica

    2002-07-01

    In an attempt to gain a comprehensive understanding of the microstructural evolution in liquid-phase-sintered silicon carbide ceramics, the effect of the starting {beta}-SiC powder has been studied. Pellets of two different {beta}-SiC starting powders were sintered with simultaneous additions of Al{sub 2}O{sub 3} and Y{sub 2}O{sub 3} at 1950 C for 1 hour in flowing argon atmosphere. Here we have used X-ray diffraction to obtain the relative abundance of the resulting SiC polytypes after sintering. The significant influence of the defects concentration on the {beta} to {alpha} transformation rate has been determined using the Rietveld method. (orig.)

  7. Thermal dehydration of potash alum studied by Raman spectroscopy and X-ray diffraction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Kishimura, Hiroaki, E-mail: kisimura@nda.ac.jp; Imasu, Yuhta; Matsumoto, Hitoshi

    2015-01-15

    The thermal dehydrations of potash alum caused by heating at various temperatures for at least 2 h were investigated by ex situ Raman spectroscopy and X-ray diffraction (XRD) analyses in air. With increasing the heating temperature, all Raman peaks were observed to broaden, while an additional broad peak appeared at approximately 1030 cm{sup −1} and shifted toward higher wavenumbers. In addition, the Raman band assigned to the O–H stretching mode weakened. The orientational disorder (OD) of the sulfate ions, as indicated by the intensity ratio of doublet peaks at 989 and 974 cm{sup −1}, was found to increase with increasing the heating temperature. The XRD patterns demonstrated that a structural phase transition from crystalline KAl(SO{sub 4}){sub 2}⋅12H{sub 2}O to amorphous phases began at around 75 °C, while broadening of the Raman peaks and an increase in OD also suggested the onset of an amorphous phase. Raman peaks corresponding to anhydrous KAl(SO{sub 4}){sub 2} appeared at approximately 180 °C. It was concluded that the elimination of water molecules was responsible for increase in the extent of OD, and this in turn induced the observed phase transitions. The formation of the amorphous phases observed in this work was similar to the pressure-induced amorphization of KAl(SO{sub 4}){sub 2}⋅12H{sub 2}O. - Highlights: • The thermal dehydration of potash alum proceeds through several steps. • Raman spectra and X-ray diffraction reveal the amorphization of the heated samples. • A transition from the amorphous phase to the KAl(SO{sub 4}){sub 2} crystal phase is observed in the sample heated at 180 °C.

  8. Phase identification and internal stress analysis of steamside oxides on superheater tubes by means of X-ray diffraction

    DEFF Research Database (Denmark)

    Pantleon, Karen; Montgomery, Melanie

    Steamside oxides formed on plant exposed superheated tubes were investigated using X-ray diffraction. Phase identification and stress analysis revealed that on ferritic X20CrMoV12-1 pure Hematite and pure Magnetite formed and both phases are under tensile stress. IN contrast, on austenitic TP347H...... Mn-, Cr- and/or Ni-containing oxides are observed, instead of pure Magnetite, underneath a pure Hematite surface layer. Oxides on the austenitic steel are under compressive stress or even stress-free....

  9. Non-invasive neutron diffraction analysis of marbles from the 'Edificio con Tre Esedre' in Villa Adriana

    International Nuclear Information System (INIS)

    Filabozzi, A.; Andreani, C.; Pietropaolo, A.; De Pascale, M.P.; Gorini, G.; Kockelmann, W.; Chapon, L.C.

    2006-01-01

    Roman marble fragments from the Villa Adriana at Tivoli (Rome) have been characterised by neutron diffraction. This study aimed at distinguishing between different marble types on the basis of the mineral phase compositions and the crystallographic textures. It is demonstrated that on a multi-detector time-offlight neutron diffractometer a quantitative bulk texture analysis can be performed on a stationary marble sample in a matter of minutes. This potentially allows investigating large sample series or bulky, intact marble objects in a completely nondestructive manner. The texture information, along with other structure details, can be used as characterising feature to address questions of attribution and restoration of archaeological marble objects

  10. Crystallization and preliminary X-ray diffraction analysis of HML, a lectin from the red marine alga Hypnea musciformis

    International Nuclear Information System (INIS)

    Nagano, Celso S.; Gallego del Sol, Francisca; Cavada, Benildo S.; Nascimento, Kyria Santiago Do; Nunes, Eudismar Vale; Sampaio, Alexandre H.; Calvete, Juan J.

    2005-01-01

    The crystallization and preliminary X-ray diffraction analysis of a red marine alga lectin isolated from H. musciformis is reported. HML, a lectin from the red marine alga Hypnea musciformis, defines a novel lectin family. Orthorhombic crystals of HML belonging to space group P2 1 2 1 2 1 grew within three weeks at 293 K using the hanging-drop vapour-diffusion method. A complete data set was collected at 2.4 Å resolution. HML is the first marine alga lectin to be crystallized

  11. A non-invasive analysis of 'proto-majolica' pottery from southern Italy by TOF neutron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Barilaro, D; Crupi, V; Majolino, D; Venuti, V [Dipartimento di Fisica, Universita di Messina, Contrada da Papardo, Salita Sperone 31, PO Box 55, 98166, Sant Agata, Messina (Italy); Barone, G [Dipartmento di Scienze Geologiche, Universita di Catania, Corso Italia 55, 95129 Catania (Italy); Tigano, G [Soprintendenza Beni Culturali ed Ambientali di Messina, Sezione Archeologica, Viale Boccetta 38, 98100 Messina (Italy); Imberti, S [Consiglio Nazionale delle Ricerche, Istituto Sistemi Complessi: Sezione di Firenze, Via Madonna del Piano 10, 50019 Sesto Fiorentino (Italy); Kockelmann, W [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom)], E-mail: vvenuti@unime.it

    2008-03-12

    The employment of time-of-flight (TOF) neutron diffraction allowed for the quantitative determination of mineral phase contents of the ceramic bulk of several pottery fragments coming from Milazzo and Messina (Sicily, southern Italy). From an historical-artistic point of view, all the samples were dated back to the 12th to 13th centuries AD and classified as belonging to the 'proto-majolica' ceramic class. The adopted procedure is absolutely non-destructive, so that measurements were performed on the entire fragments without any sampling. The information derived, by applying the Rietveld analysis method, allowed us to formulate hypotheses concerning the fabrication processes of the artefacts.

  12. Spot profile analysis and lifetime mapping in ultrafast electron diffraction: Lattice excitation of self-organized Ge nanostructures on Si(001

    Directory of Open Access Journals (Sweden)

    T. Frigge

    2015-05-01

    Full Text Available Ultrafast high energy electron diffraction in reflection geometry is employed to study the structural dynamics of self-organized Germanium hut-, dome-, and relaxed clusters on Si(001 upon femtosecond laser excitation. Utilizing the difference in size and strain state the response of hut- and dome clusters can be distinguished by a transient spot profile analysis. Surface diffraction from {105}-type facets provide exclusive information on hut clusters. A pixel-by-pixel analysis of the dynamics of the entire diffraction pattern gives time constants of 40, 160, and 390 ps, which are assigned to the cooling time constants for hut-, dome-, and relaxed clusters.

  13. A comparative analysis of extended water cloud model and backscatter modelling for above-ground biomass assessment in Corbett Tiger Reserve

    Science.gov (United States)

    Kumar, Yogesh; Singh, Sarnam; Chatterjee, R. S.; Trivedi, Mukul

    2016-04-01

    Forest biomass acts as a backbone in regulating the climate by storing carbon within itself. Thus the assessment of forest biomass is crucial in understanding the dynamics of the environment. Traditionally the destructive methods were adopted for the assessment of biomass which were further advanced to the non-destructive methods. The allometric equations developed by destructive methods were further used in non-destructive methods for the assessment, but they were mostly applied for woody/commercial timber species. However now days Remote Sensing data are primarily used for the biomass geospatial pattern assessment. The Optical Remote Sensing data (Landsat8, LISS III, etc.) are being used very successfully for the estimation of above ground biomass (AGB). However optical data is not suitable for all atmospheric/environmental conditions, because it can't penetrate through clouds and haze. Thus Radar data is one of the alternate possible ways to acquire data in all-weather conditions irrespective of weather and light. The paper examines the potential of ALOS PALSAR L-band dual polarisation data for the estimation of AGB in the Corbett Tiger Reserve (CTR) covering an area of 889 km2. The main focus of this study is to explore the accuracy of Polarimetric Scattering Model (Extended Water Cloud Model (EWCM) with respect to Backscatter model in the assessment of AGB. The parameters of the EWCM were estimated using the decomposition components (Raney Decomposition) and the plot level information. The above ground biomass in the CTR ranges from 9.6 t/ha to 322.6 t/ha.

  14. Relating multifrequency radar backscattering to forest biomass: Modeling and AIRSAR measurement

    Science.gov (United States)

    Sun, Guo-Qing; Ranson, K. Jon

    1992-01-01

    During the last several years, significant efforts in microwave remote sensing were devoted to relating forest parameters to radar backscattering coefficients. These and other studies showed that in most cases, the longer wavelength (i.e. P band) and cross-polarization (HV) backscattering had higher sensitivity and better correlation to forest biomass. This research examines this relationship in a northern forest area through both backscatter modeling and synthetic aperture radar (SAR) data analysis. The field measurements were used to estimate stand biomass from forest weight tables. The backscatter model described by Sun et al. was modified to simulate the backscattering coefficients with respect to stand biomass. The average number of trees per square meter or radar resolution cell, and the average tree height or diameter breast height (dbh) in the forest stand are the driving parameters of the model. The rest of the soil surface, orientation, and size distributions of leaves and branches, remain unchanged in the simulations.

  15. Diffraction at TOTEM

    CERN Document Server

    Antchev, G.; Avati, V.; Bagliesi, M.G.; Berardi, V.; Berretti, M.; Bottigli, U.; Bozzo, M.; Brucken, E.; Buzzo, A.; Cafagna, F.; Calicchio, M.; Catanesi, M.G.; Catastini, P.L.; Cecchi, R.; Ciocci, M.A.; Deile, M.; Dimovasili, E.; Eggert, K.; Eremin, V.; Ferro, F.; Garcia, F.; Giani, S.; Greco, V.; Heino, J.; Hilden, T.; Kaspar, J.; Kopal, J.; Kundrat, V.; Kurvinen, K.; Lami, S.; Latino, G.; Lauhakangas, R.; Lippmaa, E.; Lokajicek, M.; Lo Vetere, M.; Lucas Rodriguez, F.; Macri, M.; Magazzu, G.; Meucci, M.; Minutoli, S.; Niewiadomski, H.; Noschis, E.; Notarnicola, G.; Oliveri, E.; Oljemark, F.; Orava, R.; Oriunno, M.; Osterberg, K.; Palazzi, P.; Pedreschi, E.; Petajajarvi, J.; Quinto, M.; Radermacher, E.; Radicioni, E.; Ravotti, F.; Rella, G.; Robutti, E.; Ropelewski, L.; Ruggiero, G.; Rummel, A.; Saarikko, H.; Sanguinetti, G.; Santroni, A.; Scribano, A.; Sette, G.; Snoeys, W.; Spinella, F.; Squillacioti, P.; Ster, A.; Taylor, C.; Trummal, A.; Turini, N.; Whitmore, J.; Wu, J.

    2009-01-01

    The TOTEM experiment at the LHC measures the total proton-proton cross section with the luminosity-independent method and the elastic proton-proton cross-section over a wide |t|-range. It also performs a comprehensive study of diffraction, spanning from cross-section measurements of individual diffractive processes to the analysis of their event topologies. Hard diffraction will be studied in collaboration with CMS taking advantage of the large common rapidity coverage for charged and neutral particle detection and the large variety of trigger possibilities even at large luminosities. TOTEM will take data under all LHC beam conditions including standard high luminosity runs to maximize its physics reach. This contribution describes the main features of the TOTEM physics programme including measurements to be made in the early LHC runs. In addition, a novel scheme to extend the diffractive proton acceptance for high luminosity runs by installing proton detectors at IP3 is described.

  16. Diffraction at TOTEM

    CERN Document Server

    Giani, S; Antchev, G; Aspell, P; Avati, V; Bagliesi, M G; Berardi, V; Berretti, M; Besta, M; Bozzo, M; Brücken, E; Buzzo, A; Cafagna, F; Calicchio, M; Catanesi, M G; Cecchi, R; Ciocci, M A; Dadel, P; Deile, M; Dimovasili, E; Eggert, K; Eremin, V; Ferro, F; Fiergolski, A; García, F; Greco, V; Grzanka, L; Heino, J; Hildén, T; Kaspar, J; Kopal, J; Kundrát, V; Kurvinen, K; Lami, S; Latino, G; Lauhakangas, R; Leszko, R; Lippmaa, E; Lokajícek, M; Lo Vetere, M; Lucas Rodriguez, F; Macrí, M; Magazzù, G; Meucci, M; Minutoli, S; Notarnicola, G; Oliveri, E; Oljemark, F; Orava, R; Oriunno, M; Österberg, K; Pedreschi, E; Petäjäjärvi, J; Prochazka, J; Quinto, M; Radermacher, E; Radicioni, E; Ravotti, F; Rella, G; Robutti, E; Ropelewski, L; Rostkowski, M; Ruggiero, G; Rummel, A; Saarikko, H; Sanguinetti, G; Santroni, A; Scribano, A; Sette, G; Snoeys, W; Spinella, F; Ster, A; Taylor, C; Trummal, A; Turini, N; Whitmore, J; Wu, J; Zalewski, M

    2010-01-01

    The primary objective of the TOTEM experiment at the LHC is the measurement of the total proton-proton cross section with the luminosity-independent method and the study of elastic proton-proton cross-section over a wide |t|-range. In addition TOTEM also performs a comprehensive study of diffraction, spanning from cross-section measurements of individual diffractive processes to the analysis of their event topologies. Hard diffraction will be studied in collaboration with CMS taking advantage of the large common rapidity coverage for charged and neutral particle detection and the large variety of trigger possibilities even at large luminosities. TOTEM will take data under all LHC beam conditions including standard high luminosity runs to maximise its physics reach. This contribution describes the main features of the TOTEM diffractive physics programme including measurements to be made in the early LHC runs.

  17. Residual stress analysis in linear friction welded in-service Inconel 718 superalloy via neutron diffraction and contour method approaches

    Energy Technology Data Exchange (ETDEWEB)

    Smith, M. [University of British Columbia – Okanagan, School of Engineering, 3333 University Way, Kelowna, Canada V1V 1V7 (Canada); Levesque, J.-B. [Institut de recherche d' Hydro-Québec (IREQ), 1800 Lionel-Boulet Blvd., Varennes, Canada J3X 1S1 (Canada); Bichler, L., E-mail: lukas.bichler@ubc.ca [University of British Columbia – Okanagan, School of Engineering, 3333 University Way, Kelowna, Canada V1V 1V7 (Canada); Sediako, D. [Canadian Nuclear Laboratories, Building 459, Station 18, Chalk River, Canada K0J 1J0 (Canada); Gholipour, J.; Wanjara, P. [National Research Council of Canada, Aerospace 5145 Decelles Ave., Montreal, Canada H3T 2B2 (Canada)

    2017-04-13

    In this study, an analysis of elastic residual stress in Inconel{sup ®} 718 (IN 718) linear friction welds (LFWs) was carried out. In particular, the suitability of LFW for manufacturing and repair of aero engine components was emulated by joining virgin and in-service (extracted from a turbine disk) materials. The evolution in the residual strains and stresses in the heat-affected zone (HAZ), thermomechanically affected zone (TMAZ) and dynamically recrystallized zone (DRX) of the weld was characterized using the neutron diffraction and contour methods. The results provided insight into diverse challenges in quantitative analysis of residual stresses in welded IN 718 using diffraction techniques. Specifically, judicious selection of the beam width, height and stress-free lattice spacing were seen to be crucial to minimize measurement error and increase accuracy. Further, the contour method – a destructive technique relying on capturing the stress relaxation after electrical discharge machining – was used to characterize the residual stress distribution on two-dimensional plane sections of the welds. Both techniques suggested an increasing magnitude of residual stress originating from the base metal that reached a peak at the weld interface. Both methods indicated that the peak magnitude of residual stresses were below the yield stress of IN 718.

  18. Crystallization and preliminary X-ray diffraction analysis of three myotoxic phospholipases A2 from Bothrops brazili venom

    International Nuclear Information System (INIS)

    Fernandes, Carlos A. H.; Gartuzo, Elaine C. G.; Pagotto, Ivan; Comparetti, Edson J.; Huancahuire-Vega, Salomón; Ponce-Soto, Luis Alberto; Costa, Tássia R.; Marangoni, Sergio; Soares, Andreimar M.; Fontes, Marcos R. M.

    2012-01-01

    Two myotoxic and noncatalytic Lys49-phospholipases A 2 (braziliantoxin-II and MT-II) and a myotoxic and catalytic phospholipase A 2 (braziliantoxin-III) from B. brazili were crystallized. X-ray diffraction data sets were collected and molecular-replacement solutions were obtained. Two myotoxic and noncatalytic Lys49-phospholipases A 2 (braziliantoxin-II and MT-II) and a myotoxic and catalytic phospholipase A 2 (braziliantoxin-III) from the venom of the Amazonian snake Bothrops brazili were crystallized. The crystals diffracted to resolutions in the range 2.56–2.05 Å and belonged to space groups P3 1 21 (braziliantoxin-II), P6 5 22 (braziliantoxin-III) and P2 1 (MT-II). The structures were solved by molecular-replacement techniques. Both of the Lys49-phospholipases A 2 (braziliantoxin-II and MT-II) contained a dimer in the asymmetric unit, while the Asp49-phospholipase A 2 braziliantoxin-III contained a monomer in its asymmetric unit. Analysis of the quaternary assemblies of the braziliantoxin-II and MT-II structures using the PISA program indicated that both models have a dimeric conformation in solution. The same analysis of the braziliantoxin-III structure indicated that this protein does not dimerize in solution and probably acts as a monomer in vivo, similar to other snake-venom Asp49-phospholipases A 2

  19. Expression, purification, crystallization and preliminary X-ray diffraction analysis of nurse shark β2-microglobulin.

    Science.gov (United States)

    Lu, Shuangshuang; Yao, Shugang; Chen, Rong; Zhang, Nianzhi; Chen, Jianmin; Gao, Feng; Xia, Chun

    2012-04-01

    β(2)-Microglobulin (β(2)m) is an essential subunit of the major histocompatibility complex (MHC) class I molecule that helps to stabilize the structure of peptide-MHC I (pMHC I). It is also one of the typical immunoglobulin superfamily (IgSF) molecules in the adaptive immune system (AIS). Sharks belong to the cartilaginous fish, which are the oldest jawed vertebrate ancestors with an AIS to exist in the world. Thus, the study of cartilaginous fish β(2)m would help in understanding the evolution of IgSF molecules. In order to demonstrate this, β(2)m from a cartilaginous fish, nurse shark (Ginglymostoma cirratum), was expressed, refolded, purified and crystallized. Diffraction data were collected to a resolution of 2.3 Å. The crystal belonged to space group P3(2)21, with unit-cell parameters a = b = 88.230, c = 67.146 Å. The crystal structure contained two molecules in the asymmetric unit. The results will provide structural information for study of the evolution of β(2)m and IgSF in the AIS. © 2012 International Union of Crystallography. All rights reserved.

  20. Computer simulation tools for X-ray analysis scattering and diffraction methods

    CERN Document Server

    Morelhão, Sérgio Luiz

    2016-01-01

    The main goal of this book is to break down the huge barrier of difficulties faced by beginners from many fields (Engineering, Physics, Chemistry, Biology, Medicine, Material Science, etc.) in using X-rays as an analytical tool in their research. Besides fundamental concepts, MatLab routines are provided, showing how to test and implement the concepts. The major difficult in analyzing materials by X-ray techniques is that it strongly depends on simulation software. This book teaches the users on how to construct a library of routines to simulate scattering and diffraction by almost any kind of samples. It provides to a young student the knowledge that would take more than 20 years to acquire by working on X-rays and relying on the available textbooks. In this book, fundamental concepts in applied X-ray physics are demonstrated through available computer simulation tools. Using MatLab, more than eighty routines are developed for solving the proposed exercises, most of which can be directly used in experimental...

  1. Crystallization and preliminary X-ray diffraction analysis of rat protein tyrosine phosphatase η

    Energy Technology Data Exchange (ETDEWEB)

    Matozo, Huita C.; Nascimento, Alessandro S.; Santos, Maria A. M. [Instituto de Física de São Carlos, Departamento de Física e Informática, Universidade de São Paulo, Avenida Trabalhador São Carlense 400, CEP 13566-590 São Carlos, SP (Brazil); Iuliano, Rodolfo [Dipartimento di Medicina Sperimentale e Clinica, Facoltà di Medicina e Chirurgia, Università di Catanzaro, 88100 Catanzaro (Italy); Fusco, Alfredo [Dipartimento di Biologia e Patologia Cellulare e Molecolare, c/o Instituto di Endocrinologia ed Oncologia Sperimentale del CNR, Facolta di Medicina e Chirurgia, Università degli Studi di Napoli ‘Federico II’, Via Pansini 5, 80131 Naples (Italy); NOGEC (Naples Oncogenomocs Center)-CEINGE, Biotecnologie Avanzate, Via Comunale Margherita 482, 80145 Naples (Italy); Polikarpov, Igor, E-mail: ipolikarpov@if.sc.usp.br [Instituto de Física de São Carlos, Departamento de Física e Informática, Universidade de São Paulo, Avenida Trabalhador São Carlense 400, CEP 13566-590 São Carlos, SP (Brazil); Laboratório Nacional de Luz Síncrotron, Campinas, SP (Brazil)

    2006-09-01

    In this study, the catalytic domain of rat protein tyrosine phosphatase η was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. The rat protein tyrosine phosphatase η (rPTPη) is a cysteine-dependent phosphatase which hydrolyzes phosphoester bonds in proteins and other molecules. rPTPη and its human homologue DEP-1 are involved in neoplastic transformations. Thus, expression of the protein is reduced in all oncogene-transformed thyroid cell lines and is absent in highly malignant thyroid cells. Moreover, consistent with the suggested tumour suppression role of PTPη, inhibition of the tumorigenic process occurs after its exogenous reconstitution, suggesting that PTPη might be important for gene therapy of cancers. In this study, the catalytic domain of rPTPη was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. Diffraction data were collected to 1.87 Å resolution. The crystal belongs to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 46.46, b = 63.07, c = 111.64 Å, and contains one molecule per asymmetric unit.

  2. Crystallization and preliminary X-ray diffraction analysis of motif N from Saccharomyces cerevisiae Dbf4

    International Nuclear Information System (INIS)

    Matthews, Lindsay A.; Duong, Andrew; Prasad, Ajai A.; Duncker, Bernard P.; Guarné, Alba

    2009-01-01

    To understand the role of the Cdc7–Dbf4 complex in checkpoint responses, a fragment of Saccharomyces cerevisiae Dbf4 encompassing motif N was isolated, overproduced and crystallized. The Cdc7–Dbf4 complex plays an instrumental role in the initiation of DNA replication and is a target of replication-checkpoint responses in Saccharomyces cerevisiae. Cdc7 is a conserved serine/threonine kinase whose activity depends on association with its regulatory subunit, Dbf4. A conserved sequence near the N-terminus of Dbf4 (motif N) is necessary for the interaction of Cdc7–Dbf4 with the checkpoint kinase Rad53. To understand the role of the Cdc7–Dbf4 complex in checkpoint responses, a fragment of Saccharomyces cerevisiae Dbf4 encompassing motif N was isolated, overproduced and crystallized. A complete native data set was collected at 100 K from crystals that diffracted X-rays to 2.75 Å resolution and structure determination is currently under way

  3. Expression, purification, crystallization and preliminary X-ray diffraction analysis of grass carp β2-microglobulin

    International Nuclear Information System (INIS)

    Chen, Weihong; Chu, Fuliang; Peng, Hao; Zhang, Jianhua; Qi, Jianxun; Jiang, Fan; Xia, Chun; Gao, Feng

    2008-01-01

    Grass carp β 2 -microglobulin was expressed in E. coli, purified to homogeneity and crystallized using the hanging-drop vapour-diffusion method with PEG 2K as precipitant. The crystals obtained belong to the orthorhombic space group P2 1 2 1 2 1 , with unit-cell parameters a = 38.72, b = 40.65, c = 71.12 Å. β 2 -Microglobulin (β 2 m) is an essential subunit of MHC I molecules; it stabilizes the structure of MHC I and plays a pivotal role in coreceptor recognition. To date, structures of β 2 m have been solved for three different mammals: human, mouse and cattle. In order to illuminate the molecular evolutionary origin of β2m, an understanding of its structure in lower vertebrates becomes important. Here, grass carp (Ctenopharyngodon idellus) β 2 m (Ctid-β 2 m) was expressed, purified and crystallized. Diffraction data were collected to a resolution of 2.5 Å. The crystal belongs to space group P2 1 2 1 2 1 , with unit-cell parameters a = 38.72, b = 40.65, c = 71.12 Å. The Matthews coefficient and the solvent content were calculated to be 2.56 Å Da −1 and 52.07%, respectively, for one molecule per asymmetric unit. The structure has been solved by molecular replacement using monomeric human β 2 m as a model

  4. Electron diffraction analysis of an AB{sub 2}-type Laves phase for hydrogen battery applications

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Z.; Chumbley, S.; Laabs, F.C. [Iowa State Univ., Ames, IA (United States). Ames Lab.

    2000-11-16

    A multicomponent AB{sub 2} type nickel-metal hydride (Ni-MH) battery alloy prepared by high-pressure gas atomization (HPGA) was investigated by transmission electron microscopy (TEM) in both the as-atomized and heat treated condition. TEM examination showed a heavily faulted dendritic growth structure in as-atomized powder. Selected area diffraction (SAD) showed that this region consisted of both a cubic C15 structure with lattice constant a=7.03 A and an hexagonal C14 structure with lattice parameter a=4.97 A, c=8.11 A. The orientation relationship (OR) between the C14 and C15 structures was determined to be (111)[1 anti 10]{sub C15}//(0001)[11 anti 20]C{sub 14}. An interdendritic phase possessing the C14 structure was also seen. There was also a very fine grain region consisting of the C14 structure. Upon heat treatment, the faulted structure became more defined and appeared as intercalation layers within the grains. Spherical particles rich in Zr and Ni appeared scattered at the grain boundries instead of the C14 interdendritic phase. The polycrystalline region also changed to a mixture of C14 and C15 structures. The phase stability of the C15 and C14 structures based on a consideration of atomic size factor and the average electron concentration is discussed. (orig.)

  5. X-ray diffraction analysis of a severely plastically deformed aluminum alloy

    International Nuclear Information System (INIS)

    Ortiz, A.L.; Shaw, L.

    2004-01-01

    The crystallite size, lattice microstrain, lattice parameter, and formation of solid solutions of a nanocrystalline Al 93 Fe 3 Cr 2 Ti 2 alloy prepared via mechanical alloying (MA) starting from elemental powders have been investigated using the Rietveld method of X-ray diffraction (XRD) in conjunction with line-broadening analyses through the variance, Warren-Averbach, and Stokes and Wilson methods. Detailed analyses using transmission electron microscopy (TEM), scanning electron microscopy (SEM), and inductively coupled plasma-optical emission spectroscopy (ICP) have also been conducted in order to corroborate the formation of solid solutions and the grain size measurement determined from the XRD analyses. The results from the exhaustive XRD analyses are in excellent agreement with those derived from the investigation of TEM, SEM, and ICP. The lattice microstrains of the nanocrystalline Al solid solution determined from the XRD analyses are isotropic along different crystallographic directions and high, exhibiting the same order of magnitude as the ratio of the tensile strength to the elastic modulus of the Al crystal. Implications resulting from the comparison between the present study and the simplified XRD analyses are discussed

  6. Crystallization and diffraction analysis of the SARS coronavirus nsp10–nsp16 complex

    International Nuclear Information System (INIS)

    Debarnot, Claire; Imbert, Isabelle; Ferron, François; Gluais, Laure; Varlet, Isabelle; Papageorgiou, Nicolas; Bouvet, Mickaël; Lescar, Julien; Decroly, Etienne; Canard, Bruno

    2011-01-01

    The expression, purification and crystallization of the SARS coronavirus nsp16 RNA-cap AdoMet-dependent (nucleoside-2′O)-methyltransferase in complex with its activating factor nsp10 are reported. To date, the SARS coronavirus is the only known highly pathogenic human coronavirus. In 2003, it was responsible for a large outbreak associated with a 10% fatality rate. This positive RNA virus encodes a large replicase polyprotein made up of 16 gene products (nsp1–16), amongst which two methyltransferases, nsp14 and nsp16, are involved in viral mRNA cap formation. The crystal structure of nsp16 is unknown. Nsp16 is an RNA-cap AdoMet-dependent (nucleoside-2′-O-)-methyltransferase that is only active in the presence of nsp10. In this paper, the expression, purification and crystallization of nsp10 in complex with nsp16 are reported. The crystals diffracted to a resolution of 1.9 Å resolution and crystal structure determination is in progress

  7. Crystal structure and charge density analysis of Li2NH by synchrotron X-ray diffraction

    International Nuclear Information System (INIS)

    Noritake, T.; Nozaki, H.; Aoki, M.; Towata, S.; Kitahara, G.; Nakamori, Y.; Orimo, S.

    2005-01-01

    Complex hydrides, such as lithium amide (LiNH 2 ) and lithium imide (Li 2 NH), have recently been noticed as one of the most promising materials for reversible hydrogen storage. In this paper, we reveal the bonding nature of hydrogen in Li 2 NH crystal by synchrotron powder X-ray diffraction measurement at room temperature. The crystal structure was refined by Rietveld method and the charge density distribution was analyzed by maximum entropy method (MEM). The Li 2 NH crystal is anti-fluorite type structure (space group Fm3-bar m) consisting of Li and NH. Hydrogen atom occupies randomly the 48h (Wyckoff notation) sites around N atom. The refined lattice constant is a=5.0742(2)A. The charge density distribution around NH anion in Li 2 NH is almost spherical. The number of electrons within the sphere around the Li and NH is estimated from the obtained charge density distribution. As the result, the ionic charge is expressed as [Li 0.99+ ] 2 [NH] 1.21- . Therefore, it is confirmed experimentally that Li 2 NH is ionically bonded

  8. X-ray diffraction analysis of cubic zincblende III-nitrides

    International Nuclear Information System (INIS)

    Frentrup, Martin; Lee, Lok Yi; Sahonta, Suman-Lata; Kappers, Menno J; Massabuau, Fabien; Gupta, Priti; Oliver, Rachel A; Humphreys, Colin J; Wallis, David J

    2017-01-01

    Solving the green gap problem is a key challenge for the development of future LED-based light systems. A promising approach to achieve higher LED efficiencies in the green spectral region is the growth of III-nitrides in the cubic zincblende phase. However, the metastability of zincblende GaN along with the crystal growth process often lead to a phase mixture with the wurtzite phase, high mosaicity, high densities of extended defects and point defects, and strain, which can all impair the performance of light emitting devices. X-ray diffraction (XRD) is the main characterization technique to analyze these device-relevant structural properties, as it is very cheap in comparison to other techniques and enables fast feedback times. In this review, we will describe and apply various XRD techniques to identify the phase purity in predominantly zincblende GaN thin films, to analyze their mosaicity, strain state, and wafer curvature. The different techniques will be illustrated on samples grown by metalorganic vapor phase epitaxy on pieces of 4″ SiC/Si wafers. We will discuss possible issues, which may arise during experimentation, and provide a critical view on the common theories. (topical review)

  9. Morphometric analysis of erythrocytes from patients with thalassemia using tomographic diffractive microscopy

    Science.gov (United States)

    Lin, Yang-Hsien; Huang, Shin-Shyang; Wu, Shang-Ju; Sung, Kung-Bin

    2017-11-01

    Complete blood count is the most common test to detect anemia, but it is unable to obtain the abnormal shape of erythrocytes, which highly correlates with the hematologic function. Tomographic diffractive microscopy (TDM) is an emerging technique capable of quantifying three-dimensional (3-D) refractive index (RI) distributions of erythrocytes without labeling. TDM was used to characterize optical and morphological properties of 172 erythrocytes from healthy volunteers and 419 erythrocytes from thalassemic patients. To efficiently extract and analyze the properties of erythrocytes, we developed an adaptive region-growing method for automatically delineating erythrocytes from 3-D RI maps. The thalassemic erythrocytes not only contained lower hemoglobin content but also showed doughnut shape and significantly lower volume, surface area, effective radius, and average thickness. A multi-indices prediction model achieved perfect accuracy of diagnosing thalassemia using four features, including the optical volume, surface-area-to-volume ratio, sphericity index, and surface area. The results demonstrate the ability of TDM to provide quantitative, hematologic measurements and to assess morphological features of erythrocytes to distinguish healthy and thalassemic erythrocytes.

  10. Crystallization and preliminary X-ray diffraction analysis of rat protein tyrosine phosphatase η

    International Nuclear Information System (INIS)

    Matozo, Huita C.; Nascimento, Alessandro S.; Santos, Maria A. M.; Iuliano, Rodolfo; Fusco, Alfredo; Polikarpov, Igor

    2006-01-01

    In this study, the catalytic domain of rat protein tyrosine phosphatase η was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. The rat protein tyrosine phosphatase η (rPTPη) is a cysteine-dependent phosphatase which hydrolyzes phosphoester bonds in proteins and other molecules. rPTPη and its human homologue DEP-1 are involved in neoplastic transformations. Thus, expression of the protein is reduced in all oncogene-transformed thyroid cell lines and is absent in highly malignant thyroid cells. Moreover, consistent with the suggested tumour suppression role of PTPη, inhibition of the tumorigenic process occurs after its exogenous reconstitution, suggesting that PTPη might be important for gene therapy of cancers. In this study, the catalytic domain of rPTPη was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. Diffraction data were collected to 1.87 Å resolution. The crystal belongs to space group P2 1 2 1 2 1 , with unit-cell parameters a = 46.46, b = 63.07, c = 111.64 Å, and contains one molecule per asymmetric unit

  11. Neutron irradiated uranium silicides studied by neutron diffraction and Rietveld analysis

    International Nuclear Information System (INIS)

    Birtcher, R.C.; Mueller, M.H.; Richardson, J.W. Jr.; Faber, J. Jr.

    1989-11-01

    Uranium silicides have been considered for use as reactor fuels in both high power and low enrichment applications. However, U 3 Si was found to become amorphous under irradiation and to become mechanically unstable to rapid growth by plastic flow. U 2 Si 2 appears to be stable against amorphization at low displacement rates, but the extent of this stability is uncertain. Although the mechanisms responsible for plastic flow in U 3 Si and other amorphous systems are unknown, as is the importance of crystal structure for amorphization, it may not be surprising that these materials amorphize, in light of the fact that many radioactive nuclide - containing minerals are known to metaminctize (lose crystallinity) under irradiation. The present experiment follows the detailed changes in the crystal structures of U 3 Si and U 3 Si 2 introduced by neutron bombardment and subsequent uranium fission at room temperature. U-Si seems the ideal system for a neutron diffraction investigation since the crystallographic and amorphous forms can be studied simultaneously by combining conventional Rietveld refinement of the crystallographic phases with Fourier-filtering of the non-crystalline scattering component

  12. Quantitative phase analysis of alumina/calcium-hexaluminate composites using neutron diffraction data and the Rietveld method

    International Nuclear Information System (INIS)

    Asmi, D.; Low, I.M.; O'Connor, B.H.; Kennedy, S.J.

    2000-01-01

    Full text: The Al 2 O 3 -CaO system is the basis of an important class of high-temperature refractories in the steel industry. It contains a number of stable intermediate compounds which include C 3 A, C 12 A 7 , CA, CA 2 , and CA 6 . These calcium aluminates are also important constituents of high alumina cement and have been used to produce high-strength and high-toughness ceramic-polymer composite materials. More recently, alumina composites containing 30 wt% CA 6 platelets have been developed by An et al which show characteristics of self-reinforcement and enhanced toughening through crack-bridging. In this paper, we describe the use of high-temperature neutron diffraction to monitor the in-situ phase formation and abundances of calcium aluminates (CA, CA 2 , and CA 6 ) in alumina composites containing 5-50 wt % CA 6 .at temperatures in the range 1000 - 1600 deg C. These composites were produced using reaction sintering of alumina and calcium oxide. For comparison purposes, control samples of pure α-alumina and CA 6 were also produced. Determination of relative phase abundances in these materials has been performed using the standardless Rietveld refinement method. Results show that the relative phase abundance of calcium aluminates in the composites increased with temperature and in proportion with the amount of calcium oxide present. The formation temperatures of CA, CA 2 , and CA 6 have been observed to occur at 1000 deg , 1200 deg, and ∼1350 deg C respectively, which agree well with results obtained from x-ray diffraction, synchrotron radiation diffraction and differential thermal analysis

  13. Chemical and X-ray diffraction analysis on selected samples from the TMI-2 reactor core

    International Nuclear Information System (INIS)

    Kleykamp, H.; Pejsa, R.

    1991-05-01

    Selected samples from different positions of the damaged TMI-2 reactor core were investigated by X-ray microanalysis and X-ray diffraction. The measurements yield the following resolidified phases after cooling: Cd and In depleted Ag absorber material, intermetallic Zr-steel compounds, fully oxidized Zircaloy, UO 2 -ZrO 2 solid solutions and their decomposed phases, and Fe-Al-Cr-Zr spinels. The composition of the phases and their lattice parameters as well as the eutectic and monotectic character can serve as indicators of local temperatures of the core. The reaction sequences are estimated from the heterogeneous equilibria of these phases. The main conclusions are: (1) Liquefaction onset is locally possible by Inconel-Zircaloy and steel-Zircaloy reactions of spacers and absorber guide tubes at 930deg C. However, increased rates of dissolution occur above 1200deg C. (2) UO 2 dissolution in the Inconel-steel-Zircaloy melt starts at 1300deg C with increased rates above 1900deg C. (3) Fuel temperatures in the core centre are increased above 2550deg C, liquid (U,Zr)O 2 is generated. (4) Square UO 2 particles are reprecipitated from the Incoloy-steel-Zircaloy-UO 2 melt during cooling, the remaining metallic melt is oxygen poor; two types of intermetallic phases are formed. (5) Oxidized Fe and Zr and Al 2 O 3 from burnable absorber react to spinels which form a low melting eutectic with the fuel at 1500deg C. The spinel acts as lubricant for fuel transport to the lower reactor plenum above 1500deg C. (6) Ruthenium (Ru-106) is dissolved in the steel phase, antimony (Sb-125) in the α-Ag absorber during liquefaction. (7) Oxidation of the Zircaloy-steel phases takes place mainly in the reflood stage 3 of the accident scenario. (orig.) [de

  14. Analysis of Arbitrary Reflector Antennas Applying the Geometrical Theory of Diffraction Together with the Master Points Technique

    Directory of Open Access Journals (Sweden)

    María Jesús Algar

    2013-01-01

    Full Text Available An efficient approach for the analysis of surface conformed reflector antennas fed arbitrarily is presented. The near field in a large number of sampling points in the aperture of the reflector is obtained applying the Geometrical Theory of Diffraction (GTD. A new technique named Master Points has been developed to reduce the complexity of the ray-tracing computations. The combination of both GTD and Master Points reduces the time requirements of this kind of analysis. To validate the new approach, several reflectors and the effects on the radiation pattern caused by shifting the feed and introducing different obstacles have been considered concerning both simple and complex geometries. The results of these analyses have been compared with the Method of Moments (MoM results.

  15. A X-ray diffraction analysis on constituent distribution of heavy rust layer formed on weathering steel using synchrotron radiation

    International Nuclear Information System (INIS)

    Hara, Shuichi

    2008-01-01

    A local structural analysis of heavy rust layers with large swelling and laminated layers formed on weathering steel bridges using synchrotron radiation X-ray diffraction (SR-XRD) in SPring-8 have been performed. The main constituent in average composition of the whole layer was spinel-type iron oxide [mainly Magnetite (Fe 3 O 4 )] and the mass ratio was 30-40 mass%. In contrast the mass ratio of spinel in its local parts, i.e., outer layer, inter-layer and inner layer position was not higher in common but the mass ratio of β-FeOOH was higher. Therefore it indicates that these heavy rust layers have been composed of many layers of spinel poor, rich and poor - cell (SPRaP-cell). Thus SR-XRD is useful for the analysis of the constituent distribution in the rust layer. (author)

  16. Time-resolved x-ray diffraction analysis of the experimental dehydration of serpentine at high pressure

    International Nuclear Information System (INIS)

    Inoue, Toru; Yoshimi, Isamu; Yamada, Akihiro; Kikegawa, Takumi

    2009-01-01

    Time-resolved, in situ X-ray diffraction analysis was used to determine the dehydration rate and kinetics of serpentine during experimental dehydration at high pressures. The capsule used comprises a diamond sleeve fitted with Au or Pt lids in order to provide high-quality, time-resolved X-ray diffraction data. Antigorite quickly dehydrated to enstatite + forsterite + fluid within 2 h at 650degC below ∼6 GPa. Avrami modeling of the results and SEM observations of the partially dehydrated sample revealed that the nucleation rate was quite high for enstatite but low for forsterite, showing incubation periods of ∼10 min before appearing. The crystallization of these minerals is controlled largely by the composition of the fluid generated from serpentine dehydration. The dehydration boundary determined below 6 GPa in the present study is consistent with the results of previous phase equilibrium studies. This study indicates that serpentine in a subducting slab dehydrates rapidly below 6 GPa when the slab intersects the dehydration boundary conditions. (author)

  17. Crystallization and preliminary X-ray diffraction analysis of a glutathione S-transferase from Xylella fastidiosa

    International Nuclear Information System (INIS)

    Garcia, Wanius; Travensolo, Regiane F.; Rodrigues, Nathalia C.; Muniz, João R. C.; Caruso, Célia S.; Lemos, Eliana G. M.; Araujo, Ana Paula U.; Carrilho, Emanuel

    2008-01-01

    Glutathione S-transferase from X. fastidiosa (xfGST) has been overexpressed in E. coli, purified and crystallized. Diffraction data were collected to 2.23 Å. Glutathione S-transferases (GSTs) form a group of multifunctional isoenzymes that catalyze the glutathione-dependent conjugation and reduction reactions involved in the cellular detoxification of xenobiotic and endobiotic compounds. GST from Xylella fastidiosa (xfGST) was overexpressed in Escherichia coli and purified by conventional affinity chromatography. In this study, the crystallization and preliminary X-ray analysis of xfGST is described. The purified protein was crystallized by the vapour-diffusion method, producing crystals that belonged to the triclinic space group P1. The unit-cell parameters were a = 47.73, b = 87.73, c = 90.74 Å, α = 63.45, β = 80.66, γ = 94.55°. xfGST crystals diffracted to 2.23 Å resolution on a rotating-anode X-ray source

  18. Crystallization and preliminary X-ray diffraction analysis of L,L-diaminopimelate aminotransferase (DapL) from Chlamydomonas reinhardtii.

    Science.gov (United States)

    Hudson, André O; Girón, Irma; Dobson, Renwick C J

    2011-01-01

    In the anabolic synthesis of diaminopimelate and lysine in plants and in some bacteria, the enzyme L,L-diaminopimelate aminotransferase (DapL; EC 2.6.1.83) catalyzes the conversion of tetrahydrodipicolinic acid (THDPA) to L,L-diaminopimelate, bypassing the DapD, DapC and DapE enzymatic steps in the bacterial acyl pathways. Here, the cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of DapL from the alga Chlamydomonas reinhardtii are presented. Protein crystals were grown in conditions containing 25% (w/v) PEG 3350 and 200 mM lithium sulfate and initially diffracted to ∼1.35 Å resolution. They belonged to space group P2(1)2(1)2(1), with unit-cell parameters a=58.9, b=91.8, c=162.9 Å. The data were processed to 1.55 Å resolution with an Rmerge of 0.081, an Rp.i.m. of 0.044, an Rr.i.m of 0.093 and a VM of 2.28 Å3 Da(-1).

  19. Crystal structure analysis of LaMnO_3 with x-ray diffraction technique using the Rietveld method

    International Nuclear Information System (INIS)

    Engkir Sukirman; Wisnu Ari Adi; Yustinus Purwamargapratala

    2010-01-01

    Crystal structure analysis of LaMnO_3 using the Rietveld method has been carried out. The LaMnO_3 sample was synthesized with high energy mechanical milling from the raw materials of La_2O_3 and MnO_2 with the appropriate mol ratio. Milling were performed for 10 hours, pelletized and hereinafter sintered at 1350 °C for 6 hours. The sample characterizations covered the crystal structure and electric-magnetic properties of the materials by X-ray diffraction technique using the Rietveld method and the four point probe, respectively. The Rietveld refinement results based on the X-rays diffraction data indicate that the sample of LaMnO_3 is single phase with the crystal system: orthorhombic, the space group: Pnma No. 62 and the lattice parameters: a = 55.4405(9) Å; b = 7.717(1) Å dan c = 5.537(1) Å. The material owns Magnetic Resonance (MR) respond of 7 %, the mean value of crystallite size, D = 17 nm and lattice strain, e = - 0.5 %. So, the material go through a compressive strain, and according to the Nanda's strain model, it becomes a type G antiferromagnetic insulator. Because the insulator properties of the material does not change although being hit by the external magnetic field, hence the MR respond is only caused by the order of electron spin. Therefore at room temperature, LaMnO_3_._0 just exhibits a small MR respond. (author)

  20. Crystallization and preliminary X-ray diffraction analysis of a glutathione S-transferase from Xylella fastidiosa

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, Wanius, E-mail: wanius@if.sc.usp.br [Laboratório de Biofísica Molecular ‘Sérgio Mascarenhas’, Instituto de Física de São Carlos, Universidade de São Paulo (USP), São Carlos (Brazil); Travensolo, Regiane F. [Grupo de Bioanalítica, Microfabricação e Separações, Instituto de Química de São Carlos, Universidade de São Paulo (USP), São Carlos (Brazil); Rodrigues, Nathalia C.; Muniz, João R. C. [Laboratório de Biofísica Molecular ‘Sérgio Mascarenhas’, Instituto de Física de São Carlos, Universidade de São Paulo (USP), São Carlos (Brazil); Caruso, Célia S. [Grupo de Bioanalítica, Microfabricação e Separações, Instituto de Química de São Carlos, Universidade de São Paulo (USP), São Carlos (Brazil); Lemos, Eliana G. M. [Laboratório de Bioquímica de Microrganismos e de Plantas, Departamento de Tecnologia, UNESP, Jaboticabal (Brazil); Araujo, Ana Paula U. [Laboratório de Biofísica Molecular ‘Sérgio Mascarenhas’, Instituto de Física de São Carlos, Universidade de São Paulo (USP), São Carlos (Brazil); Carrilho, Emanuel, E-mail: wanius@if.sc.usp.br [Grupo de Bioanalítica, Microfabricação e Separações, Instituto de Química de São Carlos, Universidade de São Paulo (USP), São Carlos (Brazil); Laboratório de Biofísica Molecular ‘Sérgio Mascarenhas’, Instituto de Física de São Carlos, Universidade de São Paulo (USP), São Carlos (Brazil)

    2008-02-01

    Glutathione S-transferase from X. fastidiosa (xfGST) has been overexpressed in E. coli, purified and crystallized. Diffraction data were collected to 2.23 Å. Glutathione S-transferases (GSTs) form a group of multifunctional isoenzymes that catalyze the glutathione-dependent conjugation and reduction reactions involved in the cellular detoxification of xenobiotic and endobiotic compounds. GST from Xylella fastidiosa (xfGST) was overexpressed in Escherichia coli and purified by conventional affinity chromatography. In this study, the crystallization and preliminary X-ray analysis of xfGST is described. The purified protein was crystallized by the vapour-diffusion method, producing crystals that belonged to the triclinic space group P1. The unit-cell parameters were a = 47.73, b = 87.73, c = 90.74 Å, α = 63.45, β = 80.66, γ = 94.55°. xfGST crystals diffracted to 2.23 Å resolution on a rotating-anode X-ray source.

  1. X-Ray Diffraction Profile Analysis for Characterizing Isothermal Aging Behavior of M250 Grade Maraging Steel

    Science.gov (United States)

    Mahadevan, S.; Jayakumar, T.; Rao, B. P. C.; Kumar, Anish; Rajkumar, K. V.; Raj, Baldev

    2008-08-01

    X-ray diffraction (XRD) studies were carried out to characterize aging behavior of M250 grade maraging steel samples subjected to isothermal aging at 755 K for varying durations of 0.25, 1, 3, 10, 40, 70, and 100 hours. Earlier studies had shown typical features of precipitation hardening, wherein the hardness increased to a peak value due to precipitation of intermetallics and decreased upon further aging (overaging) due to reversion of martensite to austenite. Intermetallic precipitates, while coherent, are expected to increase the microstrain in the matrix. Hence, an attempt has been made in the present study to understand the microstructural changes in these samples using XRD line profile analysis. The anisotropic broadening with diffraction angle observed in the simple Williamson Hall (WH) plot has been addressed using the modified WH (mWH) approach, which takes into account the contrast caused by dislocations on line profiles, leading to new scaling factors in the WH plot. The normalized mean square strain and crystallite size estimated from mWH have been used to infer early precipitation and to characterize aging behavior. The normalized mean square strain has been used to determine the Avrami exponent in the Johnson Mehl Avrami (JMA) equation, which deals with the kinetics of precipitation. The Avrami exponent thus determined has matched well with values found by other methods, as reported in literature.

  2. Microstructural analysis of the {delta} to {alpha}' phase transformation in plutonium alloys using X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Platteau, C; Ravat, B; Texier, G; Oudot, B; Delaunay, F, E-mail: brice.ravat@cea.fr [CEA Valduc 21120 Is sur Tille (France)

    2010-03-15

    The partial martensitic {delta}{yields}{alpha}' transformation in plutonium alloys is sensitive to chemical composition, sample thermal history, as well as crystalline defects. The present work investigates the {delta}-Pu phase microstructure before and after the martensitic transformation {delta}{yields}{delta}+{alpha}'. More precisely, microstructural modifications of the host {delta}-phase, resulting from the stress induced by a cell volume difference of 19% between the {delta} and {alpha}'-phases, were analysed. Microstructural information about crystallite size and microstrain of a highly homogenized Pu-Ga alloy was extracted from x-ray diffraction patterns using a three dimension crystallite size and microstrain model. This is available in Rietveld refinement software and consists in anisotropic broadening analysis of diffraction peaks. Crystallite size doesn't significantly change with the phase transformation contrary to microstrain that is multiplied, on average, by five. Furthermore, internal normal and shear microstress are multiplied, respectively, by 2 and 13 when {alpha}'-phase appears. Last, dislocation densities, calculated from crystallite size and microstrain, are compared to TEM results available in the literature.

  3. Analysis of neutron diffraction spectra acquired in situ during stress-induced transformations in superelastic NiTi

    International Nuclear Information System (INIS)

    Vaidyanathan, R.; Bourke, M.A.; Dunand, D.C.

    1999-01-01

    Neutron diffraction spectra were obtained during various stages of a reversible stress-induced austenite to martensite phase transformation in superelastic NiTi. This was accomplished by neutron diffraction measurements on bulk polycrystalline NiTi samples simultaneously subjected to mechanical loading. Analysis of the data was carried out using individual lattice plane (hkl) reflections as well as by Rietveld refinement. In the Rietveld procedure, strains in austenite were described in terms of an isotropic (hkl independent) and an anisotropic (hkl dependent) component. At higher stresses, austenite lattice plane reflections exhibited nonlinear and dissimilar elastic responses which may be attributed to the transformation. The texture evolution is significant in both austenite and martensite phases during the transformation and two approaches were used to describe this evolving texture, i.e., an ellipsoidal model due to March - Dollase and a generalized spherical-harmonic approach. The respective predictions of the phase fraction evolution as a function of applied stress were compared. A methodology is thus established to quantify the discrete phase strains, phase volume fractions, and texture during such transformations. copyright 1999 American Institute of Physics

  4. X-ray diffraction analysis of aluminium containing Al8Fe2Si processed by equal channel angular pressing

    International Nuclear Information System (INIS)

    Korchef, Atef; Champion, Yannick; Njah, Nabil

    2007-01-01

    A 99.1% aluminium with initial grain size of ∼85 μm was deformed by equal channel angular (ECA) pressing. The sample undergoes an effective strain of 1.07 N by N passes through the die. The material contains a low volume fraction of Al 8 Fe 2 Si precipitates located essentially at the grain boundaries. The analysis of the X-ray diffraction peaks showed a significant broadening, which was related to grain refinement and lattice distortions. The crystallite size, calculated using the Halder-Wagner method, reached 225 nm after two passes and did not subsequently change. A decrease of the lattice parameter was also observed after ECA pressing. This is due to a partial dissolution of the precipitates. The microstructure was stable up an annealing of 200 deg. C due to the precipitates which delay the diffusion process. The annealing of the ECA pressed samples up to 400 deg. C leads to a decrease in the X-ray diffraction peaks broadening and an increase of the lattice parameter. This is due to grain growth

  5. Diffraction gauging

    International Nuclear Information System (INIS)

    Wilkens, P.H.

    1978-01-01

    This system of gauging is now being designed to fit on an Excello NC lathe to measure the form, accuracy, and size of external contoured surfaces as they approach the finish machined size. A template profile of the finished workpiece, but 0.003 in. bigger on radius, will be aligned with the workpiece using a reference diameter and face on the machining fixture to leave a gap between the profile of the template and workpiece. A helium--neon laser beam will be projected through this gap using a rotating retroreflector and a fixed laser. The resulting diffraction pattern produced by the laser beam passing through the template to workpiece gap will be reflected and focused on a fixed diode array via a second retroreflector which moves and remains in optical alignment with the first. These retroreflectors will be rotated about a center that will enable the laser beam, which is shaped in a long slit, to scan the template workpiece gap from the pole to the equator of the workpiece. The characteristic diffraction pattern will be detected by the fixed diode array, and the signal levels from this array will be processed in a mini-computer programmed to produce a best fit through the two minima of the diode signals. The separation of the two minima will yield the size of the workpiece to template gap and this information will be presented to the machine tool operator

  6. BOOK REVIEW: Analysis of Residual Stress by Diffraction Using Neutron and Synchrotron Radiation

    Science.gov (United States)

    Fitzpatrick, ed M. E.; Lodini, A.

    2003-09-01

    The presence of residual stresses within engineering components is often a key feature in determining their usable lifetimes and failure characteristics. Residual surface compression can, for example, restrict the propagation of surface cracks through the bulk. As a consequence, it is essential to characterize the magnitude and spatial distribution of residual stresses and, at least for non-destructive testing, this is most widely achieved using diffraction of neutron and high energy synchrotron radiations. This book aims to provide a detailed description of the methodology used to determine residual stresses. The major emphasis is placed on the neutron method, this being the more widely established approach at present. It contains 20 chapters contributed by 23 authors, divided into five major parts. The overall layout is very logical, with the first part giving a general introduction to the use of neutrons and x-rays for materials research and summarizing the methods used for their production. Part 2 considers the more specific aspects of extracting the residual stress distribution within a bulk sample and includes some valuable comments on a number of potential experimental problems, such as the determination of the stress-free lattice parameter and the effects of broadening of the Bragg peaks. The experimental facilities currently available or under development are described in part 3, with the remaining two parts devoted to general and specific applications of the residual stress measurement technique. As expected with such a large number of different authors, there is some variation in style and quality. However, the text is generally easy to follow and, more importantly, it is largely free of the problems of inconsistent notation and dupication of material that can afflict multi-authored texts. My only negative comment concerns the latter portion of the book devoted to specific applications of the technique, which is illustrative rather than comprehensive. In

  7. Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Masahiko, E-mail: masahiko@spring8.or.jp; Katsuya, Yoshio, E-mail: katsuya@spring8.or.jp; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

    2016-07-27

    Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe{sub 2}O{sub 4} (inverse spinel structure) using X-rays near Fe K absorption edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe{sub 2}O{sub 4} crystal structure.

  8. Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

    International Nuclear Information System (INIS)

    Tanaka, Masahiko; Katsuya, Yoshio; Sakata, Osami

    2016-01-01

    Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe_2O_4 (inverse spinel structure) using X-rays near Fe K absorption edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe_2O_4 crystal structure.

  9. An analytical model for light backscattering by coccoliths and coccospheres of Emiliania huxleyi.

    Science.gov (United States)

    Fournier, Georges; Neukermans, Griet

    2017-06-26

    We present an analytical model for light backscattering by coccoliths and coccolithophores of the marine calcifying phytoplankter Emiliania huxleyi. The model is based on the separation of the effects of diffraction, refraction, and reflection on scattering, a valid assumption for particle sizes typical of coccoliths and coccolithophores. Our model results match closely with results from an exact scattering code that uses complex particle geometry and our model also mimics well abrupt transitions in scattering magnitude. Finally, we apply our model to predict changes in the spectral backscattering coefficient during an Emiliania huxleyi bloom with results that closely match in situ measurements. Because our model captures the key features that control the light backscattering process, it can be generalized to coccoliths and coccolithophores of different morphologies which can be obtained from size-calibrated electron microphotographs. Matlab codes of this model are provided as supplementary material.

  10. Ion backscattering techniques applied in materials science research

    International Nuclear Information System (INIS)

    Sood, D.K.

    1978-01-01

    The applications of Ion Backscattering Technique (IBT) to material analysis have expanded rapidly during the last decade. It is now regarded as an analysis tool indispensable for a versatile materials research program. The technique consists of simply shooting a beam of monoenergetic ions (usually 4 He + ions at about 2 MeV) onto a target, and measuring their energy distribution after backscattering at a fixed angle. Simple Rutherford scattering analysis of the backscattered ion spectrum yields information on the mass, the absolute amount and the depth profile of elements present upto a few microns of the target surface. The technique is nondestructive, quick, quantitative and the only known method of analysis which gives quantitative results without recourse to calibration standards. Its major limitations are the inability to separate elements of similar mass and a complete absence of chemical-binding information. A typical experimental set up and spectrum analysis have been described. Examples, some of them based on the work at the Bhabha Atomic Research Centre, Bombay, have been given to illustrate the applications of this technique to semiconductor technology, thin film materials science and nuclear energy materials. Limitations of IBT have been illustrated and a few remedies to partly overcome these limitations are presented. (auth.)

  11. The microstructure of mechanically alloyed Al-Mg determined by X-ray diffraction peak profile analysis

    Energy Technology Data Exchange (ETDEWEB)

    Gubicza, J.; Kassem, M.; Ribarik, G.; Ungar, T

    2004-05-15

    The effect of the nominal Mg content and the milling time on the microstructure and the hardness of mechanically alloyed Al-rich Al-Mg solid solutions is studied. The crystallite size distribution and the dislocation structure are characterized by X-ray diffraction (XRD) peak profile analysis and the hardness is obtained from depth-sensing indentation tests. Magnesium gradually goes into solid solution during ball milling and after 3 h an almost complete solid solution is attained. With increasing milling time, the Mg concentration in solid solution, the dislocation density and the hardness increase, whereas the crystallite size decreases. A similar tendency of these parameters is observed at a particular duration of ball milling with increasing nominal Mg content. After 3 h milling there are no changes in both the microstructure and the hardness.

  12. Homogeneity characterisation of (U,Gd)O2 sintered pellets by X-ray diffraction powder analysis applying Rietveld method

    International Nuclear Information System (INIS)

    Leyva, Ana G.; Vega, Daniel R.; Trimarco, Veronica G.; Marchi, Daniel E.

    1999-01-01

    The (U,Gd)O 2 sintered pellets are fabricated by different methods. The homogeneity characterisation of Gd content seems to be necessary as a production control to qualify the process and the final product. The micrographic technique is the most common method used to analyse the homogeneity of these samples, this method requires time and expertise to obtain good results. In this paper, we propose an analysis of the X-ray diffraction powder patterns through the Rietveld method, in which the differences between the experimental data and the calculated from a crystalline structure model proposed are evaluated. This result allows to determine the cell parameters, that can be correlated with the Gd concentration, and the existence of other phases with different Gd ratio. (author)

  13. High pressure single-crystal micro X-ray diffraction analysis with GSE_ADA/RSV software

    Science.gov (United States)

    Dera, Przemyslaw; Zhuravlev, Kirill; Prakapenka, Vitali; Rivers, Mark L.; Finkelstein, Gregory J.; Grubor-Urosevic, Ognjen; Tschauner, Oliver; Clark, Simon M.; Downs, Robert T.

    2013-08-01

    GSE_ADA/RSV is a free software package for custom analysis of single-crystal micro X-ray diffraction (SCμXRD) data, developed with particular emphasis on data from samples enclosed in diamond anvil cells and subject to high pressure conditions. The package has been in extensive use at the high pressure beamlines of Advanced Photon Source (APS), Argonne National Laboratory and Advanced Light Source (ALS), Lawrence Berkeley National Laboratory. The software is optimized for processing of wide-rotation images and includes a variety of peak intensity corrections and peak filtering features, which are custom-designed to make processing of high pressure SCμXRD easier and more reliable.

  14. Grazing incidence x-ray diffraction analysis of zeolite NaA membranes on porous alumina tubes.

    Science.gov (United States)

    Kyotani, Tomohiro

    2006-07-01

    Zeolite NaA-type membranes hydrothermally synthesized on porous alumina tubes, for dehydration process, were characterized by grazing incidence 2 theta scan X-ray diffraction analysis (GIXRD). The fine structure of the membrane was studied fractionally for surface layer and for materials embedded in the porous alumina tube. The thickness of the surface layer on the porous alumina tube in the membranes used in this study was approximately 2-3 microm as determined from transmission electron microscopy with focused ion beam thin-layer specimen preparation technique (FIB-TEM). To discuss the effects of the membrane surface morphology on the GIXRD measurements, CaA-type membrane prepared by ion exchange from the NaA-type membrane and surface-damaged NaA-type membrane prepared by water leaching were also studied. For the original NaA-type membrane, 2 theta scan GIXRD patterns could be clearly measured at X-ray incidence angles (alpha) ranging from 0.1 to 2.0 deg in increments of 0.1 deg. The surface layers of the 2 - 3 microm on the porous alumina tube correspond to the alpha values up to ca. 0.2 deg. For the CaA-type and the surface-damaged NaA-type membranes, however, diffraction patterns from the surface layer could not be successfully detected and the others were somewhat broad. For all the three samples, diffraction intensities of both zeolite and alumina increased with depth (X-ray incidence angle, alpha) in the porous alumina tube region. The depth profile analysis of the membranes based on the GIXRD first revealed that amount of zeolite crystal embedded in the porous alumina tube is much larger than that in the surface layer. Thus, the 2 theta scan GIXRD is a useful method to study zeolite crystal growth mechanism around (both inside and outside) the porous alumina support during hydrothermal synthesis and to study water permeation behavior in the dehydration process.

  15. Anisotropy of the apparent frequency dependence of backscatter in formalin fixed human myocardium.

    Science.gov (United States)

    Hall, C S; Verdonk, E D; Wickline, S A; Perez, J E; Miller, J G

    1997-01-01

    Measurements of the frequency dependence of ultrasonic backscatter are presented for specific angles of insonification for regions of infarcted and noninfarcted human myocardium. A 5-MHz transducer was used to insonify cylindrical cores taken from 7 noninfarcted regions and 12 infarcted regions of the left ventricular free wall of 6 formalin-fixed human hearts explanted because of ischemic cardiomyopathy. The dependence of apparent (uncompensated for diffraction effects and attenuation) backscatter on frequency was approximated by a power-law dependence, magnitude of B(f)2 = afn. Under ideal conditions in a lossless medium, the effect of not compensating for the effects of diffraction and attenuation leads to the value of n to be 2.0 for Rayleigh scatterers while the frequency dependence of the fully compensated backscatter coefficient would be f4. The value of n was determined over the frequency range, 3-7 MHz. Both nonifarcted and infarcted myocardium exhibited anisotropy of the frequency dependence of backscatter, with maxima occurring at angles that were perpendicular to the predominant myofiber direction and minima when parallel to the fibers. Perpendicular insonification yielded results for n of 1.8 +/- 0.1 for noninfarcted myocardium and 1.2 +/- 0.1 for infarcted myocardium while parallel insonification yielded results of 0.4 +/- 0.1 for noninfarcted and 0.0 +/- 0.1 for infarcted myocardium. The functional form of the angle-dependent backscatter is similar for both noninfarcted and infarcted myocardium, although the frequency dependence is clearly different for both tissue states for all angles of insonification. The results of this study indicate that the anisotropy of the frequency dependence of backscatter may play a significant role in ultrasonic imaging and is an important consideration for ultrasonic tissue characterization in myocardium.

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

    Czech Academy of Sciences Publication Activity Database

    Smrcok, L.; Petrik, I.; Langer, V.; Filinchuk, Y.; Beran, Přemysl

    2010-01-01

    Roč. 45, č. 10 (2010), s. 1025-1031 ISSN 0232-1300 Institutional research plan: CEZ:AV0Z10480505 Keywords : archaeometry * Roman helmet * phase analysis Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.946, year: 2010

  17. X-ray diffraction line profile analysis for defect study in Zr–2⋅5% Nb ...

    Indian Academy of Sciences (India)

    Unknown

    The microstructure characterization by X-ray line profile analysis is possible for determination of ... breadth method also gives the coherent domain size, dislocation density and micro-strain present in .... currently used for pressure tubes, has replaced Zircaloy-2 ..... the data on σ0, σNb, m, α, G, and b available in the litera-.

  18. ray diffraction

    African Journals Online (AJOL)

    Mgina

    Chemistry Department, University of Dar es Salaam,. P.O. Box 35061 ... XRD analysis. XRD analysis identified kaolinite, illite and montmorillonite ..... Skoog DA and West DM 1980 Principles of. Instrumental Analysis 2nd Edn, Holt –. Saunders ...

  19. Stimulated Raman backscattering at high laser intensities

    Energy Technology Data Exchange (ETDEWEB)

    Skoric, M M [Vinca Inst. of Nuclear Sciences, Belgrade (Yugoslavia); Tajima, Toshiki; Sasaki, Akira; Maluckov, A; Jovanovic, M

    1998-03-01

    Signatures of Stimulated Raman backscattering of a short-pulse high-intensity laser interacting with an underdense plasma are discussed. We introduce a nonlinear three-wave interaction model that accounts for laser pump depletion and relativistic detuning. A mechanism is revealed based on a generic route to chaos, that predicts a progressive increase of the backscatter complexity with a growing laser intensity. Importance of kinetic effects is outlined and demonstrated in fluid-hybrid and particle simulations. As an application, we show that spectral anomalies of the backscatter, predicted by the above model, are consistent with recent sub-picosecond, high-intensity laser gas-target measurements at Livermore and elsewhere. Finally, a recently proposed scheme for generation of ultra-short, low-prepulse laser pulses by Raman backscattering in a thin foil target, is shown. (author)

  20. Semiquantitative analysis of corrosion products in iron channel by the X-ray diffraction technique

    International Nuclear Information System (INIS)

    Bueno, C.R.E.; Varela, J.A.

    1995-01-01

    The corrosion in the us very important in the slag line region, but in others regions over and above this line there is a corrosion process still important. We have made a detailed mapping of phases present in seven different regions in the iron channel in three distinct positions. After the phases identifications, it was made a deconvolution of the diffractograms using Gaussian functions. The analysis of the relative intensity of each phase gave an idea for a semi-quantitative analysis and we have proposed a mechanism of the refractory corrosion. It was observed that the calcium oxide migrates by diffusion to different regions originating low melting point products like pseudo-wolastonite, anorthite and guelenite. (author)

  1. Non-destructive micro-X-ray diffraction analysis of painted artefacts: Determination of detection limits for the chromium oxide-zinc oxide matrix

    International Nuclear Information System (INIS)

    Nel, P.; Lau, D.; Hay, D.; Wright, N.

    2006-01-01

    The development of micro-X-ray diffraction (micro-XRD) enables non-destructive, in situ analysis of crystalline pigments on artworks and archaeological objects. Pigments with X-ray diffraction patterns with large peak intensities may complicate the identification of other components with lower absorption coefficients, especially if present in low concentrations in the paint sample. Investigation of this issue involved: (1) micro-XRD examination and analysis of the amorphous and crystalline phases of fifteen pigment films and (2) micro-XRD examination and semi-quantitative analysis of various chromium oxide-zinc oxide mixtures, which established detection limits as low as 5 ± 2%

  2. Method for total automation of many-dimensionl diffraction spectra analysis

    International Nuclear Information System (INIS)

    Zlokazov, V.B.

    1985-01-01

    A method meant for automatic analysis of amplitude many-dimensional spectra is described. At the first stage peak search including the procedures of smoothing, identification of peak vertices and their sorting is realized. The method is used in the FIND 2 and DOMUS FORTRAN programs that can operate both on the ES-1040 and CDC-6500 type large computers and SM-3 and SM-4 type small computers

  3. Dynamics from diffraction

    International Nuclear Information System (INIS)

    Goodwin, Andrew L.; Tucker, Matthew G.; Cope, Elizabeth R.; Dove, Martin T.; Keen, David A.

    2006-01-01

    We explore the possibility that detailed dynamical information might be extracted from powder diffraction data. Our focus is a recently reported technique that employs statistical analysis of atomistic configurations to calculate dynamical properties from neutron total scattering data. We show that it is possible to access the phonon dispersion of low-frequency modes using such an approach, without constraining the results in terms of some pre-defined dynamical model. The high-frequency regions of the phonon spectrum are found to be less well preserved in the diffraction data

  4. Phase identification and internal stress analysis of steamside oxides on superheater tubes by means of X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Pantleon, Karen; Montgomery, Melanie [Technical Univ. of Denmark, Lyngby (Denmark). Inst. of Manufacturing Engineering and Management

    2005-05-01

    For superheater tubes, the adherence of the inner steamside oxide is especially important as spallation of this oxide results in a) blockage of loops which cause insufficient steam flow through the superheaters and subsequently overheating and tube failure and b) spalled oxide can cause erosion of turbine blades. Oxide spallation is a serious problem for austenitic steels where the significant differences of the thermal expansion coefficients of steel and oxide cause relatively high thermal stresses. Usually, various oxides layered within the scale are suggested from microscopical observations of the morphology and/or topography of the oxide scale accompanied by the analysis of chemical elements present. Reports about the application of X-ray diffraction on the study of steamside oxide formation are very scarce in literature. If applied at all, XRD-studies are restricted to ideally flat samples oxidized under laboratory conditions, but relation to real operating conditions and the effect of the real sample geometry is missing. Within the frame of the project, steamside oxides on plant exposed components of ferritic/ martensitic X20CrMoV12-1 as well as fine- and coarse-grained austenitic TP347H were studied by means of X-ray diffraction. Depth dependent phase analysis on sample segments cut from the tubes was carried out by means of grazing incidence diffraction and, in order to obtain information from a larger depth, conventional XRD was combination with stepwise mechanical removal of the steamside oxides. After each removal step phase analysis was performed both on the segments and on the removed powders. Phase specific stress analysis was carried out on rings cut from the tube. Results show that steamside oxides on X20CrMoV12-1 consist of pure Hematite at the surface followed by a relatively thick layer of pure Magnetite. Both phases are under relatively high tensile stresses. While the phase composition of the Hematite layer appears to be the same for all

  5. Conformational analysis of phloroglucinols from hypericum Brasiliense by using x-ray diffraction and molecular modeling

    Energy Technology Data Exchange (ETDEWEB)

    Leal, Katia Z.; Lindgren, Eric B.; Correa, Arthur L., E-mail: kzleal@uol.com.b [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Inst. de Quimica. Dept. de Fisico-Quimica; Yoneda, Julliane D. [Universidade Federal Fluminense (UFF), Volta Redonda, RJ (Brazil). Polo Universitario de Volta Redonda; Pinheiro, Carlos B. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Fisica; Franca, Hildegardo S. [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Faculdade de Farmacia. Dept. de Tecnologia Farmaceutica

    2010-07-01

    In this work we intend to verify the applicability of a computational methodology to predict structural features of organic compounds with biological activity. We selected three phloroglucinols and compared their calculated conformational data with their X-ray crystallographic structure. The results showed that conformations obtained by conformational analysis with the AM1 method followed by geometry optimization by using the DFT B3LYP/6-31 G(d,p) basis set are in very good agreement with X-ray data, indicating that the methodology employed here seems to be a very useful tool in order to predict the conformational preference for this class of compounds. (author)

  6. Diffraction. Single crystal, magnetic

    International Nuclear Information System (INIS)

    Heger, G.

    1999-01-01

    The analysis of crystal structure and magnetic ordering is usually based on diffraction phenomena caused by the interaction of matter with X-rays, neutrons, or electrons. Complementary information is achieved due to the different character of X-rays, neutrons and electrons, and hence their different interactions with matter and further practical aspects. 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. (K.A.)

  7. Expression, purification, crystallization and preliminary X-ray diffraction analysis of the aspartate transcarbamoylase domain of human CAD

    International Nuclear Information System (INIS)

    Ruiz-Ramos, Alba; Lallous, Nada; Grande-García, Araceli; Ramón-Maiques, Santiago

    2013-01-01

    The recombinant aspartate transcarbamoylase domain of human CAD was expressed in E. coli, purified and crystallized in the presence and absence of the inhibitor PALA. X-ray diffraction data sets were collected for both crystal forms at 2.1 Å resolution. Aspartate transcarbamoylase (ATCase) catalyzes the synthesis of N-carbamoyl-l-aspartate from carbamoyl phosphate and aspartate in the second step of the de novo biosynthesis of pyrimidines. In prokaryotes, the first three activities of the pathway, namely carbamoyl phosphate synthetase (CPSase), ATCase and dihydroorotase (DHOase), are encoded as distinct proteins that function independently or in noncovalent association. In animals, CPSase, ATCase and DHOase are part of a 243 kDa multifunctional polypeptide named CAD. Up-regulation of CAD is essential for normal and tumour cell proliferation. Although the structures of numerous prokaryotic ATCases have been determined, there is no structural information about any eukaryotic ATCase. In fact, the only detailed structural information about CAD is that it self-assembles into hexamers and trimers through interactions of the ATCase domains. Here, the expression, purification and crystallization of the ATCase domain of human CAD is reported. The recombinant protein, which was expressed in bacteria and purified with good yield, formed homotrimers in solution. Crystallization experiments both in the absence and in the presence of the inhibitor PALA yielded small crystals that diffracted X-rays to 2.1 Å resolution using synchrotron radiation. The crystals appeared to belong to the hexagonal space group P6 3 22, and Matthews coefficient calculation indicated the presence of one ATCase subunit per asymmetric unit, with a solvent content of 48%. However, analysis of the intensity statistics suggests a special case of the P2 1 lattice with pseudo-symmetry and possibly twinning

  8. Operando X-ray diffraction analysis for a glyme-based Li-O_2 battery

    International Nuclear Information System (INIS)

    Yogi, C.; Takao, N.; Kubobuchi, K.; Matsumoto, M.; Mogi, M.; Imai, H.; Watanabe, T.

    2016-01-01

    We investigated the effect of the carbon species in the air (oxygen) electrode, electrolyte concentration, and humidity in the supplied O_2 gas on the Li-O_2 reactions by using the operando XRD analysis. Regarding carbon species, we found that the over-potentials in the galvanostatic discharge-charge process were suppressed when using the KB carbon in the air electrode. The results of operando XRD measurements revealed that the Li_2O_2 formed on the KB had the smaller crystalline or more amorphous like structures, which could be one reason for faster reaction kinetics of Li_2O_2 dissolution. The discharge-charge curves of the cells with different concentration of LiTFSI/(G4)_n electrolyte showed the slight difference but less differences in the Li_2O_2 formation and dissolution behaviors. In addition to the nature of Li_2O_2 products, reaction of Li-salts would also have ineligible effects. We also found that the higher humidity in oxygen produced more the LiOH and promoted the Li_2O_2 dissolution, which indicate that the LiOH formation could affect the Li_2O_2 morphologies or surface chemistries. Our present results demonstrated that the operando XRD measurement are useful for analyzing the reaction mechanism of Li-O_2 battery.

  9. Analysis of magnetic correlations in layered or multiferroic transition element oxides using neutron diffraction

    International Nuclear Information System (INIS)

    Finger, Thomas

    2013-01-01

    Due to a great variety of physical phenomena the material class of transition metal oxides offers a large field of work for researchers, the more so as many underlying mechanisms are not understood yet. Of these materials a set of systems closely related to the manganates is investigated in this thesis via neutron scattering, emphasizing the analysis of magnetic correlations. It is shown, that for doping concentrations 0 ≤ x ≤ 0.5 the Co 2+ -ions in the layered cobaltates always exhibit a high-spin state with S = (3)/(2), whereas existing Co 3+ -ions adopt a low-spin state with S = 0 and stay non-magnetic. Furthermore, the magnetic correlations of three chiral multiferroics are investigated: Firstly, in MnWO 4 a memory effect is described; the crystal remembers its preceding chiral state even in the paramagnetic phase. In TbMnO 3 chiral fluctuations slightly above the multiferroic transition are investigated; it is possible to switch them by an applied external E-field. Finally, in DyMnO 3 the magnetic excitations are examined for the first time; they are comparable to those in TbMnO 3 .

  10. Grain size analysis of sediments from the northern Andaman Sea: Comparison of laser diffraction and sieve-pipette techniques

    Digital Repository Service at National Institute of Oceanography (India)

    Ramaswamy, V.; Rao, P.S.

    measured with laser diffraction show that 99% of the particles have an upper size range between 4.8 and 7.7 mu m. A calibration relationship between pipette and laser diffraction techniques has been developed for the northern Andaman Sea. A clay particle...

  11. Non-Destructive Quantification of Plastic Deformation in Steel: Employing X-Ray Diffraction Peak Broadening Analysis

    Science.gov (United States)

    2013-09-01

    justifier l’élaboration d’une nouvelle analyse des pics de DRX dans les installations de RDDC Atlantique. Résultats : Plusieurs auteurs se sont penchés...2 3 X-Ray Diffraction Theory ...3 X-Ray Diffraction Theory The manifestation of desirable physical and chemical material properties may be readily discerned through investigation

  12. Validation of automated supervised segmentation of multibeam backscatter data from the Chatham Rise, New Zealand

    Science.gov (United States)

    Hillman, Jess I. T.; Lamarche, Geoffroy; Pallentin, Arne; Pecher, Ingo A.; Gorman, Andrew R.; Schneider von Deimling, Jens

    2018-06-01

    Using automated supervised segmentation of multibeam backscatter data to delineate seafloor substrates is a relatively novel technique. Low-frequency multibeam echosounders (MBES), such as the 12-kHz EM120, present particular difficulties since the signal can penetrate several metres into the seafloor, depending on substrate type. We present a case study illustrating how a non-targeted dataset may be used to derive information from multibeam backscatter data regarding distribution of substrate types. The results allow us to assess limitations associated with low frequency MBES where sub-bottom layering is present, and test the accuracy of automated supervised segmentation performed using SonarScope® software. This is done through comparison of predicted and observed substrate from backscatter facies-derived classes and substrate data, reinforced using quantitative statistical analysis based on a confusion matrix. We use sediment samples, video transects and sub-bottom profiles acquired on the Chatham Rise, east of New Zealand. Inferences on the substrate types are made using the Generic Seafloor Acoustic Backscatter (GSAB) model, and the extents of the backscatter classes are delineated by automated supervised segmentation. Correlating substrate data to backscatter classes revealed that backscatter amplitude may correspond to lithologies up to 4 m below the seafloor. Our results emphasise several issues related to substrate characterisation using backscatter classification, primarily because the GSAB model does not only relate to grain size and roughness properties of substrate, but also accounts for other parameters that influence backscatter. Better understanding these limitations allows us to derive first-order interpretations of sediment properties from automated supervised segmentation.

  13. Transition to turbulence via spatiotemporal intermittency in stimulated Raman backscattering

    International Nuclear Information System (INIS)

    Skoric, M.M.; Jovanovic, M.S.; Rajkovic, M.R.

    1996-01-01

    The spatiotemporal evolution of stimulated Raman backscattering in a bounded, uniform, weakly dissipative plasma is studied. The nonlinear model of a three-wave interaction involves a quadratic coupling of slowly varying complex amplitudes of the laser pump, the backscattered and the electron plasma wave. The corresponding set of coupled partial differential equations with nonlinear phase detuning that is taken into account is solved numerically in space time with fixed nonzero source boundary conditions. The study of the above open, convective, weakly confined system reveals a quasiperiodic transition to spatiotemporal chaos via spatiotemporal intermittency. In the analysis of transitions a dual scheme borrowed from fields of nonlinear dynamics and statistical physics is applied. An introduction of a nonlinear three-wave interaction to a growing family of paradigmatic equations which exhibit a route to turbulence via spatiotemporal intermittency is outlined in this work. copyright 1996 The American Physical Society

  14. Validation Test of Geant4 Simulation of Electron Backscattering

    CERN Document Server

    Kim, Sung Hun; Basaglia, Tullio; Han, Min Cheol; Hoff, Gabriela; Kim, Chan Hyeong; Saracco, Paolo

    2015-01-01

    Backscattering is a sensitive probe of the accuracy of electron scattering algorithms implemented in Monte Carlo codes. The capability of the Geant4 toolkit to describe realistically the fraction of electrons backscattered from a target volume is extensively and quantitatively evaluated in comparison with experimental data retrieved from the literature. The validation test covers the energy range between approximately 100 eV and 20 MeV, and concerns a wide set of target elements. Multiple and single electron scattering models implemented in Geant4, as well as preassembled selections of physics models distributed within Geant4, are analyzed with statistical methods. The evaluations concern Geant4 versions from 9.1 to 10.1. Significant evolutions are observed over the range of Geant4 versions, not always in the direction of better compatibility with experiment. Goodness-of-fit tests complemented by categorical analysis tests identify a configuration based on Geant4 Urban multiple scattering model in Geant4 vers...

  15. Determination of the absolute configuration of (+)-neopentyl-1-d alcohol by neutron and x-ray diffraction analysis.

    Science.gov (United States)

    Yuan, H S; Stevens, R C; Bau, R; Mosher, H S; Koetzle, T F

    1994-12-20

    The absolute configuration of (+)-neopentyl-1-d alcohol, prepared by the reduction of 2,2-dimethylpropanal-1-d by actively fermenting yeast, has been determined to be S by neutron diffraction. The neutron study was carried out on the phthalate half ester of neopentyl-1-d alcohol, crystallized as its strychnine salt. The absolute configuration of the (-)-strychninium cation was first determined by an x-ray anomalous dispersion study of its iodide salt. The chiral skeleton of strychnine then served as a reference from which the absolute configuration of the -O-CHD-C(CH3)3 group of neopentyl phthalate was determined. Difference Fourier maps calculated from the neutron data showed unambiguously that the -O-CHD-C(CH3)3 groups of both independent molecules in the unit cell had the S configuration. This work proves conclusively that the yeast system reduces aldehydes by delivering hydrogen to the re face of the carbonyl group. Crystallographic details: (-)-strychninium (+)-neopentyl-1-d phthalate, space group P2(1) (monoclinic), a = 18.564(6) A, b = 7.713(2) A, c = 23.361(8) A, beta = 94.18(4) degrees, V = 3336.0(5) A3, Z = 2 (T = 100 K). Final agreement factors are R(F) = 0.073 for 2768 reflections collected at room temperature (x-ray analysis) and R(F) = 0.144 for 960 reflections collected at 100 K (neutron analysis).

  16. Structural and microstructural analysis of the U-Gd-O system using X-Ray diffraction data

    International Nuclear Information System (INIS)

    Darin, Gaspar; Imakuma, Kengo; Martinez, Luis G.; Turrrilas, Xabier M.; Ichikawa, Rodrigo U.; Silva, André S.B.; Durazzo, Michelangelo; Riella, Humberto G.; Urano, Elita

    2017-01-01

    Gadolinium is one of the best neutron absorber materials and its usage can be considered as a burnable poison for Light Water Reactors (LWR) and as a sacrificial material in Sodium Fast Reactor (SFR). Most of the experiments in the literature focus on nuclear fuel with up to 12 wt% Gd 2 O 3 . Recently, the phase diagram and melting point has been investigated for high contents of Gd 2 O 3 in the U-Gd-O system, that means a solid solution of the composition (U 1-x , Gd x )O 2 for 0analysis of the U-Gd-O system for high contents of Gd 2 O 3 using X-ray diffraction data. Rietveld analysis was applied to obtain cell parameters, atomic positions and atomic displacement factors and compared with literature available. Also, the quantification of phases was performed for the different contents of Gd 2 O 3 in the system. Finally, mean crystallite sizes were determined and correlated with the weight fraction of the phases. (author)

  17. Structural and microstructural analysis of the U-Gd-O system using X-Ray diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Darin, Gaspar; Imakuma, Kengo; Martinez, Luis G.; Turrrilas, Xabier M.; Ichikawa, Rodrigo U.; Silva, André S.B.; Durazzo, Michelangelo; Riella, Humberto G.; Urano, Elita, E-mail: gaspardarin@gmail.com, E-mail: kimakuma@ipen.br, E-mail: lgallego@ipen.br, E-mail: ichikawa@usp.br, E-mail: andre.santos.silva@ipen.br, E-mail: mdurazzo@ipen.br, E-mail: riella@enq.ufsc.br, E-mail: elitaucf@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Combustíveis Nuclear; Institute of Material Science of Barcelona (ICMAB) Barcelona (Spain)

    2017-11-01

    Gadolinium is one of the best neutron absorber materials and its usage can be considered as a burnable poison for Light Water Reactors (LWR) and as a sacrificial material in Sodium Fast Reactor (SFR). Most of the experiments in the literature focus on nuclear fuel with up to 12 wt% Gd{sub 2}O{sub 3}. Recently, the phase diagram and melting point has been investigated for high contents of Gd{sub 2}O{sub 3} in the U-Gd-O system, that means a solid solution of the composition (U{sub 1-x}, Gd{sub x})O{sub 2} for 0analysis of the U-Gd-O system for high contents of Gd{sub 2}O{sub 3} using X-ray diffraction data. Rietveld analysis was applied to obtain cell parameters, atomic positions and atomic displacement factors and compared with literature available. Also, the quantification of phases was performed for the different contents of Gd{sub 2}O{sub 3} in the system. Finally, mean crystallite sizes were determined and correlated with the weight fraction of the phases. (author)

  18. Synthetic hydroxyapatites doped with Zn(II) studied by X-ray diffraction, infrared, Raman and thermal analysis

    Science.gov (United States)

    Guerra-López, José R.; Echeverría, Gustavo A.; Güida, Jorge A.; Viña, Raúl; Punte, Graciela

    2015-06-01

    Calcium hydroxyapatite (CaHap) formation when different amounts of Zn(II) are present in the mother solution has been investigated by atomic absorption, infrared and Raman spectroscopies, X-ray diffraction and thermal analysis (DTA and TG). The studied samples have been synthesized at T=95 °C and pH 9 in air. The analysis of the results have shown that the pure CaHap sample crystallizes in the monoclinic form P21/b. Concentrations up to 20% of Zn(II) in the mother solution, equivalent to smaller concentrations in solid (up to 9.1% in wt), favor the formation of the hexagonal apatite, P63/m, while Zn(II) concentrations higher than 20% in solution help an amorphous phase development where vibrational spectra indicated coexistence of two phases: an apatite and ZnNH4PO4·H2O. Infrared data of thermal treated samples endorse that HPO42- ion had not been incorporated in Zn(II) doped samples during the synthesis process. Present results also allow to conclude that Zn(II) cation exhibits a preference to occupy the Ca2 site of the apatite structure and induces water adsorption and a small quantity of CO32- cation incorporation, leading to formation of a less crystalline Ca deficient apatite.

  19. Analysis of HgI2 and PbI2 crystals and detectors by particle-induced x-ray emission (PIXE) and ion backscattering spectroscopy (IBS)

    International Nuclear Information System (INIS)

    Bench, G.S.; Heikkinen, D.W.; Antolak, A.J.; Morse, D.H.; Pontau, A.E.; James, R.B.; David, D.C.; Burger, A.; Van Den Berg, L.

    1993-03-01

    The Ion Micro-Analysis Group (IMAG) in Livermore conducts quantitative trace elemental analysis with PIXE and depth profiling with IBS using an MeV ion microbeam. The system has the capability to produce two-dimensional trace element and IBS images. PIXE analyses have been conducted on HgI 2 and PbI 2 crystals and detector materials in order to identify and quantify near surface trace contaminants. IBS measurements have been conducted to investigate elemental depth distributions in various materials. The results of measurements on several different samples are reported and a discussion of factors affecting quantitative in vacuo microanalysis of these materials is presented

  20. Preparation and characterization of a new set of IAEA reference air filters using instrumental neutron activation analysis, proton-induced X-ray emission and Rutherford backscattering

    Czech Academy of Sciences Publication Activity Database

    Kučera, Jan; Havránek, Vladimír; Krausová, Ivana

    2009-01-01

    Roč. 281, č. 1 (2009), s. 123-129 ISSN 0236-5731. [9th International Conference on Nuclear Analytical Methods in the Life Sciences. Lisbon, 07.09.2008-12.09.2008] Institutional research plan: CEZ:AV0Z10480505 Keywords : Reference air filters * instrumental neutron activation analysis * Proton induced X-ray emission Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.631, year: 2009

  1. Non-destructive analysis of micro texture and grain boundary character from X-ray diffraction contrast tomography

    DEFF Research Database (Denmark)

    King, A.; Herbig, M.; Ludwig, W.

    2010-01-01

    Recent advances in synchrotron based X-ray imaging and diffraction techniques offer interesting new possibilities for mapping 3D grain shapes and crystallographic orientations in different classes of polycrystalline materials. X-ray diffraction contrast tomography (DCT) is a monochromatic beam...... imaging technique combining the principles of X-ray micro-tomography and three-dimensional X-ray diffraction microscopy (3DXRD). DCT provides simultaneous access to 3D grain shape, crystallographic orientation and attenuation coefficient distribution at the micrometer length scale. The microtexture...

  2. Fluorescent and X-ray diffraction analysis for industrial wastes of the Comandante Pedro Soto Alba plant

    International Nuclear Information System (INIS)

    Herrera, V.

    1980-05-01

    It is presented a qualitative X-ray elemental fluorescence and diffraction analysis of the low-nickel portion (deands) of Cuban lateritic ores from Moa and Nicaro, the tailings of the Cuba nickel plant Comandante Pedro Soto Alba (in Moa) and its magnetic concentrated fractions (results of enrichment test in magnetizing roasting and wet magnetic separation). In all samples as main phase hematite (α-Fe 2 O 3 ) is observed. In all deands samples there were also high concentrations of goethite (α-FeOOH) and aluminium hydroxide (Al(OH) 3 ). In the Nicaro deands, in addition to name above phases, a modification of delta-iron hydroxide, with Ni and/or Co substitutions in the forms delta-(Fesub(0,67)Nisub(0,33))OOH, delta-(Fesub(0,67)Cosub(0,33))OOH or delta-(Fesub(0,67)Nisub(x)Cosub(0,33-x))OOH seems possible. In Moa tailings besides the hematite, the more abundant phases are a basic hydrated aluminium sulphate and gypsum. The magnetic enriched fractions are practically by a spinel of the maghemite type, and chromium seems to be included into the spinel lattice. (author)

  3. Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of chlorite dismutase: a detoxifying enzyme producing molecular oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Geus, Daniël C. de, E-mail: d.de.geus@chem.leidenuniv.nl; Thomassen, Ellen A. J.; Feltz, Clarisse L. van der; Abrahams, Jan Pieter [Biophysical Structural Chemistry, Leiden University, Einsteinweg 55, 2333 CC Leiden (Netherlands)

    2008-08-01

    Preliminary X-ray data collection and analysis for crystals of chlorite dismutase, a haem-based enzyme that very effectively reduces chlorite to chloride while producing molecular oxygen, is reported to 2.1 Å resolution. Chlorite dismutase, a homotetrameric haem-based protein, is one of the key enzymes of (per)chlorate-reducing bacteria. It is highly active (< 2 kU mg{sup −1}) in reducing the toxic compound chlorite to the innocuous chloride anion and molecular oxygen. Chlorite itself is produced as the intermediate product of (per)chlorate reduction. The chlorite dismutase gene in Azospira oryzae strain GR-1 employing degenerate primers has been identified and the active enzyme was subsequently overexpressed in Escherichia coli. Chlorite dismutase was purified, proven to be active and crystallized using sitting drops with PEG 2000 MME, KSCN and ammonium sulfate as precipitants. The crystals belonged to space group P2{sub 1}2{sub 1}2 and were most likely to contain six subunits in the asymmetric unit. The refined unit-cell parameters were a = 164.46, b = 169.34, c = 60.79 Å. The crystals diffracted X-rays to 2.1 Å resolution on a synchrotron-radiation source and a three-wavelength MAD data set has been collected. Determination of the chlorite dismutase structure will provide insights into the active site of the enzyme, for which no structures are currently available.

  4. Rietveld profile analysis of calcined AlPO/sub 4/-11 using pulsed neutron powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Richardson, J.W. Jr.; Pluth, J.J.; Smith, J.V.

    1988-08-01

    Aluminium phosphate, AlPO/sub 4/, M/sub r/=121.95, orthorhombic, Icmm (disordered Al, P), Icm2 (ordered Al, P), a=13.5333(8), b=18.4845(10), c=8.3703(4) A, V=2094 A/sup 3/, Z=20, D/sub x/=1.93 g cm/sup -3/, T approx. = 295 K, R/sub wp/=0.031, R/sub F//sup 2/=0.109 (Icmm) and R/sub wp/=0.027, R/sub F//sup 2/=0.058 (Icm2) for 1017 independent reflections. Sample calcined at 873 K and dehydrated at 573 K. Time-of-flight neutron powder diffraction data were taken on the GPPD diffractometer at the Argonne National Laboratory Intense Pulsed Neutron Source. The structure was refined by Rietveld profile analysis in the range d=0.86-3.91 A in two space groups: Icmm assuming no ordering of Al and P, and Icm2 assuming strict alternation of Al and P on tetrahedral nodes. (orig./BHo).

  5. Burgers Vector Analysis of Vertical Dislocations in Ge Crystals by Large-Angle Convergent Beam Electron Diffraction.

    Science.gov (United States)

    Groiss, Heiko; Glaser, Martin; Marzegalli, Anna; Isa, Fabio; Isella, Giovanni; Miglio, Leo; Schäffler, Friedrich

    2015-06-01

    By transmission electron microscopy with extended Burgers vector analyses, we demonstrate the edge and screw character of vertical dislocations (VDs) in novel SiGe heterostructures. The investigated pillar-shaped Ge epilayers on prepatterned Si(001) substrates are an attempt to avoid the high defect densities of lattice mismatched heteroepitaxy. The Ge pillars are almost completely strain-relaxed and essentially defect-free, except for the rather unexpected VDs. We investigated both pillar-shaped and unstructured Ge epilayers grown either by molecular beam epitaxy or by chemical vapor deposition to derive a general picture of the underlying dislocation mechanisms. For the Burgers vector analysis we used a combination of dark field imaging and large-angle convergent beam electron diffraction (LACBED). With LACBED simulations we identify ideally suited zeroth and second order Laue zone Bragg lines for an unambiguous determination of the three-dimensional Burgers vectors. By analyzing dislocation reactions we confirm the origin of the observed types of VDs, which can be efficiently distinguished by LACBED. The screw type VDs are formed by a reaction of perfect 60° dislocations, whereas the edge types are sessile dislocations that can be formed by cross-slips and climbing processes. The understanding of these origins allows us to suggest strategies to avoid VDs.

  6. Effect of powder sample granularity on fluorescent intensity and on thermal parameters in x-ray diffraction Rietveld analysis

    International Nuclear Information System (INIS)

    Sparks, C.J.; Specht, E.D.; Ice, G.E.; Kumar, R.; Zschack, P.; Shiraishi, T.; Hisatsune, K.

    1991-01-01

    The effect of sample granularity on diffracted x-ray intensity was evaluated by measuring the 2θ dependence of x-ray fluorescence from various samples. Measurements were made in the symmetric geometry on samples ranging from single crystals to highly absorbing coarse powders. A characteristic shape for the absorption correction was observed. A demonstration of the sensitivity of Rietveld refined site occupation parameters is made on CuAu and Cu 50 Au 44 Ni 6 alloys refined with and without granularity corrections. These alloys provide a good example of the effect of granularity due to their large linear x-ray absorption coefficients. Sample granularity and refined thermal parameters obtained from the Rietveld analysis were found to be correlated. Without a granularity correction, the refined thermal parameters are too low and can actually become negative in an attempt to compensate for granularity. A general shape for granularity correction can be included in refinement procedures. If no granularity correction is included, data should be restricted to above 30 degrees 2θ, and thermal parameters should be ignored unless extreme precautions are taken to produce >5 μm particles and high packing densities

  7. Expression, purification, crystallization and preliminary X-ray diffraction analysis of rhesus macaque CD8αα homodimer

    International Nuclear Information System (INIS)

    Zong, Lili; Chen, Yong; Yan, Jinghua; Zhang, Jianhua

    2010-01-01

    CD8α exodomain protein, a crucial immune-system factor in rhesus macaque (M. mulatta), one of the best animal models for vaccine design, was assembled and crystallized. The full structure data will contribute to future studies of immune responses in rhesus macaques. As a T-cell co-receptor, CD8 binds to MHC class I molecules and plays a pivotal role in the activation of cytotoxic T lymphocytes. To date, structures of CD8 have been solved for two different mammals: human and mouse. The infection of rhesus macaques (Macaca mulatta) by simian immunodeficiency virus (SIV) is the best animal model for studying HIV. In this study, the rhesus macaque CD8 (rCD8) αα homodimer was obtained and rCD8α exodomain protein crystals were successfully obtained for further structural analysis. Diffraction data were collected to a resolution of 2.4 Å. The crystal belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 46.52, b = 56.28, c = 82.40 Å. These data will facilitate further studies on the structural differences between these CD8 structures and the cellular immune responses of rhesus macaque

  8. X-ray diffraction phase analysis of crystalline copper corrosion products after treatment in different chloride solutions

    International Nuclear Information System (INIS)

    Chmielova, M.; Seidlerova, J.; Weiss, Z.

    2003-01-01

    The corrosion products Cu 2 (OH) 3 Cl, Cu 2 O, and CuCl 2 were identified on the surface of copper plates after their four days treating in three different sodium chloride, sodium/magnesium, and sodium/calcium chloride solutions using X-ray diffraction powder analysis. However, the quantitative proportions of individual corrosion products differ and depend on the type of chloride solution used. Treating of copper plates only in the sodium chloride solution produced the mixture of corrosion products where Cu 2 O is prevailing over the Cu 2 (OH) 3 Cl and CuCl 2 was not identified. The sample developed after treating of the cooper surface in the sodium/magnesium chloride solution contains Cu 2 (OH) 3 Cl and CuCl 2 prevailing over the Cu 2 O, while the sample developed after treatment of copper in sodium/calcium chloride solution contains Cu 2 (OH) 3 Cl prevailing over CuCl 2 and Cu 2 O was not identified

  9. Purification, crystallization and preliminary X-ray diffraction analysis of the human mismatch repair protein MutSβ

    International Nuclear Information System (INIS)

    Tseng, Quincy; Orans, Jillian; Hast, Michael A.; Iyer, Ravi R.; Changela, Anita; Modrich, Paul L.; Beese, Lorena S.

    2011-01-01

    Human MutSβ is a 232 kDa heterodimer (MSH2–MSH3) involved in the lesion-recognition step of mismatch repair. Here, the overexpression, purification, biochemical characterization and cocrystallization of MutSβ with a duplex DNA substrate are reported. MutSβ is a eukaryotic mismatch repair protein that preferentially targets extrahelical unpaired nucleotides and shares partial functional redundancy with MutSα (MSH2–MSH6). Although mismatch recognition by MutSα has been shown to involve a conserved Phe-X-Glu motif, little is known about the lesion-binding mechanism of MutSβ. Combined MSH3/MSH6 deficiency triggers a strong predisposition to cancer in mice and defects in msh2 and msh6 account for roughly half of hereditary nonpolyposis colorectal cancer mutations. These three MutS homologs are also believed to play a role in trinucleotide repeat instability, which is a hallmark of many neurodegenerative disorders. The baculovirus overexpression and purification of recombinant human MutSβ and three truncation mutants are presented here. Binding assays with heteroduplex DNA were carried out for biochemical characterization. Crystallization and preliminary X-ray diffraction analysis of the protein bound to a heteroduplex DNA substrate are also reported

  10. Contribution to the X-ray diffraction analysis method of the micro-structural and mechanical state of heterogenous materials

    International Nuclear Information System (INIS)

    Ji, V.

    2003-09-01

    The analysis of internal stresses through X-ray diffraction (DRX) has been used to study the micro-structure of various heterogenous materials: two-phase materials, composite materials, coated materials and alloys such as Ti-Al, Inconel-600 and 20CDV5-08 steel. In the case of the Ti-Al alloy we have achieved for the first time the experimental assessment of the compliance constant, of the level of internal stresses, and of the behaviour law of each phase as a function of the changes in duplex micro-structures. Local, direct and accurate information given by DRX have been used to feed micro-mechanical simulations and the results of the simulation are consistent with macroscopic mechanical testing. Accurate DRX analyses on CMC (ceramic matrix composite) have allowed us to confirm the thermal origin of internal stresses. As for thick copper layers made through thermal projection, DRX method combined to in-situ tensile testing has permitted us to measure the elasticity modulus and the distribution of macroscopic stresses inside the coating and the substrate. We have also determined the elastic limit of a TiN layer on a steel substrate. (A.C.)

  11. Study by X-ray diffraction and mechanical analysis of the residual stress generation during thermal spraying

    International Nuclear Information System (INIS)

    Pina, J.; Dias, A.; Lebrun, J.L.

    2003-01-01

    Thermally sprayed coatings are formed by the deposition of molten or partially molten particles, propelled onto a substrate where they impact, spread and solidify rapidly. Residual stresses are expected within the sprayed deposit as a consequence of the release of thermal and kinetic energies. A wide range of materials and two spraying techniques are considered in this study, namely atmospheric plasma spraying (APS) and high-velocity oxygen fuel. Stresses were determined by the X-ray diffraction (XRD) method. The results were compared with those calculated by mechanical analysis of stress relief in coatings detached from the substrate. Comparison of the results for adherent and free-standing coatings shows that the residual stress state can be resolved in terms of the components suggested by models that propose two stages of stress generation: quenching stresses and secondary-cooling stresses. The in-depth distribution of residual stresses, through the coating thickness, is discussed in terms of the nature of the coating system

  12. Operation manual for EDXRDDA - a software package for Bragg peak analysis of energy dispersive powder X-ray diffraction data

    International Nuclear Information System (INIS)

    Jayaswal, Balhans; Vijaykumar, V.; Momin, S.N.; Sikka, S.K.

    1992-01-01

    EDXRDDA is a software package for analysis of raw data for energy dispersive x-ray diffraction from powder samples. It resolves the spectra into individual peaks by a constrained non-linear least squares method (Hughes and Sexton, 1988). The profile function adopted is the Gaussian/Lorentzian product with the mixing ratio refinable in the program. The program is implemented on an IBM PC and is highly interactive with extensive plotting facilities. This report is a user's guide for running the program. In the first step after inputting the spectra, the full spectra is plotted on the screen. The user then chooses a portion of this for peak resolution. The initial guess for the peak intensity, peak position are input with the help of a cursor or a mouse. Upto twenty peaks can be fitted at a time in an interval of 500 channels. For overlapping peaks, various constraints can be applied. Bragg peaks and fluorescence peaks with different half widths can be handled simultaneously. The program on execution produces a look up table which contains the refined values of the peak position, half width, peak intensity, integrated intensity, and their error estimates of each peak. The program is very general and can also be used for curve fitting of data from many other experiments. (author). 2 refs., 7 figs., 2 appendices

  13. X-Ray diffraction analysis of thermally evaporated copper tin selenide thin films at different annealing temperature

    International Nuclear Information System (INIS)

    Mohd Amirul Syafiq Mohd Yunos; Zainal Abidin Talib; Wan Mahmood Mat Yunus; Josephine Liew Ying Chyi; Wilfred Sylvester Paulus

    2010-01-01

    Semiconductor thin films Copper Tin Selenide, Cu 2 SnSe 3 , a potential compound for semiconductor radiation detector or solar cell applications were prepared by thermal evaporation method onto well-cleaned glass substrates. The as-deposited films were annealed in flowing purified nitrogen, N 2 , for 2 hours in the temperature range from 100 to 500 degree Celsius. The structure of as-deposited and annealed films has been studied by X-ray diffraction technique. The semi-quantitative analysis indicated from the Reitveld refinement show that the samples composed of Cu 2 SnSe 3 and SnSe. These studies revealed that the films were structured in mixed phase between cubic space group F-43 m (no. 216) and orthorhombic space group P n m a (no. 62). The crystallite size and lattice strain were determined from Scherrer calculation method. The results show that increasing in annealing temperature resulted in direct increase in crystallite size and decrease in lattice strain. (author)

  14. Full aperture backscatter diagnostic for the NIF laser facility (abstract)

    International Nuclear Information System (INIS)

    Sewall, Noel; Lewis, Izzy; Kirkwood, Robert; Moody, John; Celeste, John

    2001-01-01

    The current schemes for achieving ignition on the National Ignition Facility require efficient coupling of energy from 192 laser beams to the deuterium--tritium fuel capsule. Each laser beam must propagate through a long scalelength plasma region before being converted to x rays (indirect drive) or being absorbed on the capsule (direct drive). Laser-plasma instabilities such as stimulated Brillouin and stimulated Raman scattering (SBS and SRS) will scatter a fraction of the incident laser energy out of the target leading to an overall reduction in the coupling efficiency. It is important to measure the character of this scattered light in order to understand it and to develop methods for reducing it to acceptable levels. We are designing a system called the full aperature backscatter diagnostic with the capability to measure the time-dependent amplitude and spectral content of the light which is backscattered through the incident beam focusing optic. The backscattered light will be collected over about 85% of the full beam aperture and separated into the SBS wavelength band (348--354 nm) and the SRS wavelength band (400--700 nm). Spectrometers coupled to streak cameras will provide time-resolved spectra for both scattered light components. The scattered light amplitude will be measured with fast and slow diodes. The entire system will be routinely calibrated. Analysis of the data will provide important information for reducing scattered power, achieving power balance, and finally achieving ignition

  15. Conformational analysis of an acyclic tetrapeptide: ab-initio structure determination from X-ray powder diffraction, Hirshfeld surface analysis and electronic structure.

    Science.gov (United States)

    Das, Uday; Naskar, Jishu; Mukherjee, Alok Kumar

    2015-12-01

    A terminally protected acyclic tetrapeptide has been synthesized, and the crystal structure of its hydrated form, Boc-Tyr-Aib-Tyr-Ile-OMe·2H2O (1), has been determined directly from powder X-ray diffraction data. The backbone conformation of tetrapeptide (1) exhibiting two consecutive β-turns is stabilized by two 4 → 1 intramolecular N-H · · · O hydrogen bonds. In the crystalline state, the tetrapeptide molecules are assembled through water-mediated O-H · · · O hydrogen bonds to form two-dimensional molecular sheets, which are further linked by intermolecular C-H · · · O hydrogen bonds into a three-dimensional supramolecular framework. The molecular electrostatic potential (MEP) surface of (1) has been used to supplement the crystallographic observations. The nature of intermolecular interactions in (1) has been analyzed quantitatively through the Hirshfeld surface and two-dimensional fingerprint plot. The DFT optimized molecular geometry of (1) agrees closely with that obtained from the X-ray structure analysis. The present structure analysis of Boc-Tyr-Aib-Tyr-Ile-OMe·2H2 O (1) represents a case where ab-initio crystal structure of an acyclic tetrapeptide with considerable molecular flexibility has been accomplished from laboratory X-ray powder diffraction data. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

  16. Thermal analysis, X-ray powder diffraction and electron microscopy data related with the production of 1:1 Caffeine:Glutaric Acid cocrystals

    Directory of Open Access Journals (Sweden)

    Íris Duarte

    2016-09-01

    Full Text Available The data presented in this article are related to the production of 1:1 Caffeine:Glutaric Acid cocrystals as part of the research article entitled “Green production of cocrystals using a new solvent-free approach by spray congealing” (Duarte et al., 2016 [1]. More specifically, here we present the thermal analysis and the X-ray powder diffraction data for pure Glutaric Acid, used as a raw material in [1]. We also include the X-ray powder diffraction and electron microscopy data obtained for the 1:1 Caffeine:Glutaric Acid cocrystal (form II produced using the cooling crystallization method reported in “Operating Regions in Cooling Cocrystallization of Caffeine and Glutaric Acid in Acetonitrile” (Yu et al., 2010 [2]. Lastly, we show the X-ray powder diffraction data obtained for assessing the purity of the 1:1 Caffeine:Glutaric cocrystals produced in [1].

  17. Crystallization and preliminary X-ray diffraction analysis of the sialic acid-binding domain (VP8*) of porcine rotavirus strain CRW-8

    International Nuclear Information System (INIS)

    Scott, Stacy A.; Holloway, Gavan; Coulson, Barbara S.; Szyczew, Alex J.; Kiefel, Milton J.; Itzstein, Mark von; Blanchard, Helen

    2005-01-01

    The sialic acid-binding domain (VP8*) component of the porcine CRW-8 rotavirus spike protein has been overexpressed in E. coli, purified and co-crystallized with an N-acetylneuraminic acid derivative. X-ray diffraction data have been collected to 2.3 Å, which has enabled determination of the structure by molecular replacement. Rotavirus recognition and attachment to host cells involves interaction with the spike protein VP4 that projects outwards from the surface of the virus particle. An integral component of these spikes is the VP8* domain, which is implicated in the direct recognition and binding of sialic acid-containing cell-surface carbohydrates and facilitates subsequent invasion by the virus. The expression, purification, crystallization and preliminary X-ray diffraction analysis of VP8* from porcine CRW-8 rotavirus is reported. Diffraction data have been collected to 2.3 Å resolution, enabling the determination of the VP8* structure by molecular replacement

  18. Crystallization and preliminary X-ray diffraction analysis of the sialic acid-binding domain (VP8*) of porcine rotavirus strain CRW-8

    Energy Technology Data Exchange (ETDEWEB)

    Scott, Stacy A. [Institute for Glycomics, Griffith University (Gold Coast Campus) PMB 50, Gold Coast Mail Centre, Queensland 9726 (Australia); Holloway, Gavan; Coulson, Barbara S. [Department of Microbiology and Immunology, The University of Melbourne, Victoria 3010 (Australia); Szyczew, Alex J.; Kiefel, Milton J.; Itzstein, Mark von; Blanchard, Helen, E-mail: h.blanchard@griffith.edu.au [Institute for Glycomics, Griffith University (Gold Coast Campus) PMB 50, Gold Coast Mail Centre, Queensland 9726 (Australia)

    2005-06-01

    The sialic acid-binding domain (VP8*) component of the porcine CRW-8 rotavirus spike protein has been overexpressed in E. coli, purified and co-crystallized with an N-acetylneuraminic acid derivative. X-ray diffraction data have been collected to 2.3 Å, which has enabled determination of the structure by molecular replacement. Rotavirus recognition and attachment to host cells involves interaction with the spike protein VP4 that projects outwards from the surface of the virus particle. An integral component of these spikes is the VP8* domain, which is implicated in the direct recognition and binding of sialic acid-containing cell-surface carbohydrates and facilitates subsequent invasion by the virus. The expression, purification, crystallization and preliminary X-ray diffraction analysis of VP8* from porcine CRW-8 rotavirus is reported. Diffraction data have been collected to 2.3 Å resolution, enabling the determination of the VP8* structure by molecular replacement.

  19. Near-surface fault detection by migrating back-scattered surface waves with and without velocity profiles

    KAUST Repository

    Yu, Han

    2016-04-26

    We demonstrate that diffraction stack migration can be used to discover the distribution of near-surface faults. The methodology is based on the assumption that near-surface faults generate detectable back-scattered surface waves from impinging surface waves. We first isolate the back-scattered surface waves by muting or FK filtering, and then migrate them by diffraction migration using the surface wave velocity as the migration velocity. Instead of summing events along trial quasi-hyperbolas, surface wave migration sums events along trial quasi-linear trajectories that correspond to the moveout of back-scattered surface waves. We have also proposed a natural migration method that utilizes the intrinsic traveltime property of the direct and the back-scattered waves at faults. For the synthetic data sets and the land data collected in Aqaba, where surface wave velocity has unexpected perturbations, we migrate the back-scattered surface waves with both predicted velocity profiles and natural Green\\'s function without velocity information. Because the latter approach avoids the need for an accurate velocity model in event summation, both the prestack and stacked migration images show competitive quality. Results with both synthetic data and field records validate the feasibility of this method. We believe applying this method to global or passive seismic data can open new opportunities in unveiling tectonic features.

  20. Determination of the absolute configuration of (+)-neopentyl-1-d alcohol by neutron and x-ray diffraction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, H.S.H.; Stevens, R.C.; Bau, R. (Univ. of Southern California, Los Angeles, CA (United States)); Mosher, H.S. (Stanford Univ., CA (United States)); Koetzle, T.F. (Brookhaven National Lab., Upton, NY (United States))

    1994-12-20

    The absolute configuration of (+)-neopentyl-1-d alcohol, prepared by the reduction of 2,2-dimethylpropanol-1-d by actively fermenting yeast, has been determined to be S by neutron diffraction. The neutron study was carried out on the phthalate half ester of neopentyl-1-d alcohol, crystallized as its strychnine salt. The absolute configuration of the (-)-strychninium cation was first determined by an x-ray anomalous dispersion study of its iodide salt. The chiral skeleton of strychnine then served as a reference from which the absolute configuration of the -O-CHD-C(CH[sub 3])[sub 3] group of neopentyl phthalate was determined. Difference Fourier maps calculated from the neutron data showed unambiguously that the -O-CHD-C(CH[sub 3])[sub 3] groups of both independent molecules in the unit cell had the S configuration. This work proves conclusively that the yeast system reduces aldehydes by delivering hydrogen to the re face of the carbonyl group. Crystallographic details: (-)-strychninium (+)-neopentyl-1-d phthalate, space group P2[sub 1] (monoclinic), a = 18.564(6) [angstrom], b = 7.713(2) [angstrom], c = 23.361(8) [angstrom], [beta] = 94.18(4)[degrees], V = 3336.0(5) [angstrom][sup 3], Z = 2 (T = 100 K). Final agreement factors are R(F) = 0.073 for 2768 reflections collected at room temperature (x-ray analysis) and R(F) = 0.144 for 960 reflections collected at 100 K (neutron analysis). 49 refs., 7 figs., 2 tabs.