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Sample records for scattering x-ray diffraction

  1. Detectors for X-ray diffraction and scattering: a user's overview

    International Nuclear Information System (INIS)

    Bruegemann, Lutz; Gerndt, E.K.E.

    2004-01-01

    An overview of the applications of X-ray detectors to material research is given. Four experimental techniques and their specific detector requirements are described. Detector types are classified and critical parameters described in the framework of X-ray diffraction and X-ray scattering experiments. The article aims at building a bridge between detector end-users and detector developers. It gives limits of critical detector parameters, like angular resolution, energy resolution, dynamic range, and active area

  2. Grazing Incidence X-ray Scattering and Diffraction

    Indian Academy of Sciences (India)

    IAS Admin

    several materials as a function of angle of incidence, αi with X-rays of wavelength ..... are several advantages of using this formulation for the description of surface ..... print of the surface (as shown at the botton of Figure. 5). A Soller collimator ...

  3. Degradation of periodic multilayers as seen by small-angle x-ray scattering and x-ray diffraction

    CERN Document Server

    Rafaja, D; Simek, D; Zdeborova, L; Valvoda, V

    2002-01-01

    The capabilities of small-angle x-ray scattering (SAXS) and wide-angle x-ray diffraction (XRD) to recognize structural changes in periodic multilayers were compared on Fe/Au multilayers with different degrees of structural degradation. Experimental results have shown that both methods are equally sensitive to the multilayer degradation, i.e., to the occurrence of non-continuous interfaces, to short-circuits in the multilayer structure and to the multilayer precipitation. XRD yielded additional information on the multilayer crystallinity, whilst SAXS could better recognize fragments of a long-range periodicity (remnants of the original multilayer structure). Changes in the multilayer structure were initiated by successive annealing at 200 and 300 deg. C. Experimental data were complemented by numerical simulations performed using a combination of optical theory and the distorted wave Born approximation for SAXS or the kinematical Born approximation for XRD.

  4. X-ray diffraction

    International Nuclear Information System (INIS)

    Vries, J.L. de.

    1976-01-01

    The seventh edition of Philips' Review of literature on X-ray diffraction begins with a list of conference proceedings on the subject, organised by the Philips' organisation at regular intervals in various European countries. This is followed by a list of bulletins. The bibliography is divided according to the equipment (cameras, diffractometers, monochromators) and its applications. The applications are subdivided into sections for high/low temperature and pressure, effects due to the equipment, small angle scattering and a part for stress, texture and phase analyses of metals and quantitative analysis of minerals

  5. Measurement and Interpretation of Diffuse Scattering in X-Ray Diffraction for Macromolecular Crystallography

    Energy Technology Data Exchange (ETDEWEB)

    Wall, Michael E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-10-16

    X-ray diffraction from macromolecular crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering reflects the mean electron density in the unit cells of the crystal. The diffuse scattering arises from correlations in the variations of electron density that may occur from one unit cell to another, and therefore contains information about collective motions in proteins.

  6. Detectors for X-ray diffraction and scattering: current technology and future challenges

    International Nuclear Information System (INIS)

    Bahr, D.; Brugemann, L.; Gerndt, E.

    2003-01-01

    Full text: Detectors are crucial devices determining the quality, the reliability and the throughput of x-ray diffraction (XRD) and scattering investigations. This is of utmost importance in an industrial environment where in many cases untrained personnel or even without human intervention the experiments and data evaluations are running. The currently used technology of 0-dimensional to 2-dim XRD detectors is presented using selected examples. The application specific requirements on e.g. energy range and resolution, count rate limit, background and dynamic range, and size versus price are discussed. Due to the fact that x-ray diffraction investigations are becoming increasingly attractive in science, research and industry the advance in detector technology is pushed beyond existing limits. The discussion of the resultant market opportunities versus the cost of ownership and market entrance barrier is the final section of the presentation

  7. Innovative diffraction gratings for high-resolution resonant inelastic soft x-ray scattering spectroscopy

    International Nuclear Information System (INIS)

    Voronov, D.L.; Warwick, T.; Gullikson, E. M.; Salmassi, F.; Padmore, H. A.

    2016-01-01

    High-resolution Resonant Inelastic X-ray Scattering (RIXS) requires diffraction gratings with very exacting characteristics. The gratings should provide both very high dispersion and high efficiency which are conflicting requirements and extremely challenging to satisfy in the soft x-ray region for a traditional grazing incidence geometry. To achieve high dispersion one should increase the groove density of a grating; this however results in a diffraction angle beyond the critical angle range and results in drastic efficiency loss. The problem can be solved by use of multilayer coated blazed gratings (MBG). In this work we have investigated the diffraction characteristics of MBGs via numerical simulations and have developed a procedure for optimization of grating design for a multiplexed high resolution imaging spectrometer for RIXS spectroscopy to be built in sector 6 at the Advanced Light Source (ALS). We found that highest diffraction efficiency can be achieved for gratings optimized for 4"t"h or 5"t"h order operation. Fabrication of such gratings is an extremely challenging technological problem. We present a first experimental prototype of these gratings and report its performance. High order and high line density gratings have the potential to be a revolutionary new optical element that should have great impact in the area of soft x-ray RIXS.

  8. 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...

  9. X-ray diffraction

    International Nuclear Information System (INIS)

    Einstein, J.R.; Wei, C.H.

    1982-01-01

    We have been interested in structural elucidation by x-ray diffraction of compounds of biological interest. Understanding exactly how atoms are arranged in three-dimensional arrays as molecules can help explain the relationship between structure and functions. The species investigated may vary in size and shape; our recent studies included such diverse substances as antischistosomal drugs, a complex of cadmium with nucleic acid base, nitrate salts of adenine, and proteins

  10. Preliminary small-angle X-ray scattering and X-ray diffraction studies of the BTB domain of lola protein from Drosophila melanogaster

    Science.gov (United States)

    Boyko, K. M.; Nikolaeva, A. Yu.; Kachalova, G. S.; Bonchuk, A. N.; Dorovatovskii, P. V.; Popov, V. O.

    2017-11-01

    The Drosophila genome has several dozens of transcription factors (TTK group) containing BTB domains assembled into octamers. The LOLA protein belongs to this family. The purification, crystallization, and preliminary X-ray diffraction and small-angle X-ray scattering (SAXS) studies of the BTB domain of this protein are reported. The crystallization conditions were found by the vapor-diffusion technique. A very low diffraction resolution (8.7 Å resolution) of the crystals was insufficient for the determination of the threedimensional structure of the BTB domain. The SAXS study demonstrated that the BTB domain of the LOLA protein exists as an octamer in solution.

  11. Dichroism and resonant diffraction in x-ray scattering by complex materials

    International Nuclear Information System (INIS)

    Collins, S P; Lovesey, S W; Balcar, E

    2007-01-01

    We survey universal concepts that influence dichroism and resonant Bragg diffraction, aiming to reach across the range of scientific disciplines that benefit from x-ray techniques, namely, chemistry, physics, life-sciences, and the science of materials. To this end, we adopt a top down discussion of the aspects of symmetry and concomitant selection rules. Starting from selection rules that can be deduced from the global condition that an observable quantity is unchanged on reversing the directions of both space and time separately, to selection rules that flow from bulk symmetry properties of electrons imposed by elements of a point group or crystal class to, finally, atomic selection rules that emerge from the details of the electronic structure. As a motivation for the latter we discuss, with a new calculation of the x-ray scattering length, E 1-M 1 absorption and scattering events that particularly interest scientists studying the chirality of life. In the main text there is modest use of mathematics, with appropriate details relegated to a few appendices. (topical review)

  12. Application of focused-beam flat-sample method to synchrotron powder X-ray diffraction with anomalous scattering effect

    International Nuclear Information System (INIS)

    Tanaka, M; Katsuya, Y; Matsushita, Y

    2013-01-01

    The focused-beam flat-sample method (FFM), which is a method for high-resolution and rapid synchrotron X-ray powder diffraction measurements by combination of beam focusing optics, a flat shape sample and an area detector, was applied for diffraction experiments with anomalous scattering effect. The advantages of FFM for anomalous diffraction were absorption correction without approximation, rapid data collection by an area detector and good signal-to-noise ratio data by focusing optics. In the X-ray diffraction experiments of CoFe 2 O 4 and Fe 3 O 4 (By FFM) using X-rays near the Fe K absorption edge, the anomalous scattering effect between Fe/Co or Fe 2+ /Fe 3+ can be clearly detected, due to the change of diffraction intensity. The change of observed diffraction intensity as the incident X-ray energy was consistent with the calculation. The FFM is expected to be a method for anomalous powder diffraction.

  13. Disappearance of the laue spots of the downward X-ray diffraction and huge recoil Thomson scattering in solid helium as some prominent peculiarities of a quantum crystal

    Energy Technology Data Exchange (ETDEWEB)

    Nakajima, Tetsuo

    1996-02-01

    In topographs of the downward X-ray diffraction, no Laue spots could be observed using a horizontally thin line-focussed beam. The disappearance of the Laue spots by the downward X-ray diffraction could be explained by two main factors besides a synergistic effect of the smallness of the atomic-scattering factors, the absorption coefficients, the densities etc. One is that the downward X-ray diffraction is completely inelastic scattering, and, as a result, diffracted X-ray beams may become entirely diffuse scattering. The other is that the great difference in the linear scatterer density between the forward and downward directions resulted from the fact that the irradiation of a line-focussed X-ray beam to take section topographs weakens the downward X-ray diffraction. The main reason is not due to the zero-point vibration. (J.P.N.).

  14. Disappearance of the laue spots of the downward X-ray diffraction and huge recoil Thomson scattering in solid helium as some prominent peculiarities of a quantum crystal

    International Nuclear Information System (INIS)

    Nakajima, Tetsuo.

    1996-02-01

    In topographs of the downward X-ray diffraction, no Laue spots could be observed using a horizontally thin line-focussed beam. The disappearance of the Laue spots by the downward X-ray diffraction could be explained by two main factors besides a synergistic effect of the smallness of the atomic-scattering factors, the absorption coefficients, the densities etc. One is that the downward X-ray diffraction is completely inelastic scattering, and, as a result, diffracted X-ray beams may become entirely diffuse scattering. The other is that the great difference in the linear scatterer density between the forward and downward directions resulted from the fact that the irradiation of a line-focussed X-ray beam to take section topographs weakens the downward X-ray diffraction. The main reason is not due to the zero-point vibration. (J.P.N.)

  15. The high-energy x-ray diffraction and scattering beamline at the Canadian Light Source

    Science.gov (United States)

    Gomez, A.; Dina, G.; Kycia, S.

    2018-06-01

    The optical design for the high-energy x-ray diffraction and scattering beamline of the Brockhouse sector at the Canadian Light Source is described. The design is based on a single side-bounce silicon focusing monochromator that steers the central part of a high-field permanent magnet wiggler beam into the experimental station. Two different configurations are proposed: a higher energy resolution with vertical focusing and a lower energy resolution with horizontal and vertical focusing. The monochromator will have the possibility of mounting three crystals: one crystal optimized for 35 keV that focuses in the horizontal and vertical directions using reflection (1,1,1) and two other crystals both covering the energies above 40 keV: one with only vertical focusing and another one with horizontal and vertical focusing. The geometry of the last two monochromator crystals was optimized to use reflections (4,2,2) and (5,3,3) to cover the broad energy range from 40 to 95 keV.

  16. Purification, crystallization, small-angle X-ray scattering and preliminary X-ray diffraction analysis of the SH2 domain of the Csk-homologous kinase

    International Nuclear Information System (INIS)

    Gunn, Natalie J.; Gorman, Michael A.; Dobson, Renwick C. J.; Parker, Michael W.; Mulhern, Terrence D.

    2011-01-01

    The Src-homology 2 (SH2) domain of Csk-family protein tyrosine kinases acts as a conformational switch to regulate their catalytic activity, which in turn promotes the inhibition of their proto-oncogenic targets, the Src-family kinases. Here, the expression, purification, small-angle X-ray scattering and preliminary diffraction analysis of the SH2 domain of the Csk-homologous kinase is reported. The C-terminal Src kinase (Csk) and Csk-homologous kinase (CHK) are endogenous inhibitors of the proto-oncogenic Src family of protein tyrosine kinases (SFKs). Phosphotyrosyl peptide binding to their Src-homology 2 (SH2) domains activates Csk and CHK, enhancing their ability to suppress SFK signalling; however, the detailed mechanistic basis of this activation event is unclear. The CHK SH2 was expressed in Escherichia coli and the purified protein was characterized as monomeric by synchrotron small-angle X-ray scattering in-line with size-exclusion chromatography. The CHK SH2 crystallized in 0.2 M sodium bromide, 0.1 M bis-Tris propane pH 6.5 and 20% polyethylene glycol 3350 and the best crystals diffracted to ∼1.6 Å resolution. The crystals belonged to space group P2, with unit-cell parameters a = 25.8, b = 34.6, c = 63.2 Å, β = 99.4°

  17. The magnetic order of GdMn₂Ge₂ studied by neutron diffraction and x-ray resonant magnetic scattering.

    Science.gov (United States)

    Granovsky, S A; Kreyssig, A; Doerr, M; Ritter, C; Dudzik, E; Feyerherm, R; Canfield, P C; Loewenhaupt, M

    2010-06-09

    The magnetic structure of GdMn₂Ge₂ (tetragonal I4/mmm) has been studied by hot neutron powder diffraction and x-ray resonant magnetic scattering techniques. These measurements, along with the results of bulk experiments, confirm the collinear ferrimagnetic structure with moment direction parallel to the c-axis below T(C) = 96 K and the collinear antiferromagnetic phase in the temperature region T(C) < T < T(N) = 365 K. In the antiferromagnetic phase, x-ray resonant magnetic scattering has been detected at Mn K and Gd L₂ absorption edges. The Gd contribution is a result of an induced Gd 5d electron polarization caused by the antiferromagnetic order of Mn-moments.

  18. Grazing incidence x-ray diffraction at free-standing nanoscale islands: fine structure of diffuse scattering

    International Nuclear Information System (INIS)

    Grigoriev, D; Hanke, M; Schmidbauer, M; Schaefer, P; Konovalov, O; Koehler, R

    2003-01-01

    We have investigated the x-ray intensity distribution around 220 reciprocal lattice point in case of grazing incidence diffraction at SiGe nanoscale free-standing islands grown on Si(001) substrate by LPE. Experiments and computer simulations based on the distorted wave Born approximation utilizing the results of elasticity theory obtained by FEM modelling have been carried out. The data reveal fine structure in the distribution of scattered radiation with well-pronounced maxima and complicated fringe pattern. Explanation of the observed diffraction phenomena in their relation to structure and morphology of the island is given. An optimal island model including its shape, size and Ge spatial distribution was elaborated

  19. Multiple scattering in grazing-incidence X-ray diffraction: impact on lattice-constant determination in thin films

    Energy Technology Data Exchange (ETDEWEB)

    Resel, Roland, E-mail: roland.resel@tugraz.at; Bainschab, Markus; Pichler, Alexander [Graz University of Technology, Graz (Austria); Dingemans, Theo [Delft University of Technology, Delft (Netherlands); Simbrunner, Clemens [Johannes Kepler University, Linz (Austria); University of Bremen, Bremen (Germany); Stangl, Julian [Johannes Kepler University, Linz (Austria); Salzmann, Ingo [Humboldt University, Berlin (Germany)

    2016-04-20

    The use of grazing-incidence X-ray diffraction to determine the crystal structure from thin films requires accurate positions of Bragg peaks. Refraction effects and multiple scattering events have to be corrected or minimized. Dynamical scattering effects are observed in grazing-incidence X-ray diffraction experiments using an organic thin film of 2,2′:6′,2′′-ternaphthalene grown on oxidized silicon as substrate. Here, a splitting of all Bragg peaks in the out-of-plane direction (z-direction) has been observed, the magnitude of which depends both on the incidence angle of the primary beam and the out-of-plane angle of the scattered beam. The incident angle was varied between 0.09° and 0.25° for synchrotron radiation of 10.5 keV. This study reveals comparable intensities of the split peaks with a maximum for incidence angles close to the critical angle of total external reflection of the substrate. This observation is rationalized by two different scattering pathways resulting in diffraction peaks at different positions at the detector. In order to minimize the splitting, the data suggest either using incident angles well below the critical angle of total reflection or angles well above, which sufficiently attenuates the contributions from the second scattering path. This study highlights that the refraction of X-rays in (organic) thin films has to be corrected accordingly to allow for the determination of peak positions with sufficient accuracy. Based thereon, a reliable determination of the lattice constants becomes feasible, which is required for crystallographic structure solutions from thin films.

  20. Diffraction enhanced x-ray imaging

    International Nuclear Information System (INIS)

    Thomlinson, W.; Zhong, Z.; Johnston, R.E.; Sayers, D.

    1997-09-01

    Diffraction enhanced imaging (DEI) is a new x-ray radiographic imaging modality using synchrotron x-rays which produces images of thick absorbing objects that are almost completely free of scatter. They show dramatically improved contrast over standard imaging applied to the same phantoms. The contrast is based not only on attenuation but also the refraction and diffraction properties of the sample. The diffraction component and the apparent absorption component (absorption plus extinction contrast) can each be determined independently. This imaging method may improve the image quality for medical applications such as mammography

  1. Processing two-dimensional X-ray diffraction and small-angle scattering data in DAWN 2.

    Science.gov (United States)

    Filik, J; Ashton, A W; Chang, P C Y; Chater, P A; Day, S J; Drakopoulos, M; Gerring, M W; Hart, M L; Magdysyuk, O V; Michalik, S; Smith, A; Tang, C C; Terrill, N J; Wharmby, M T; Wilhelm, H

    2017-06-01

    A software package for the calibration and processing of powder X-ray diffraction and small-angle X-ray scattering data is presented. It provides a multitude of data processing and visualization tools as well as a command-line scripting interface for on-the-fly processing and the incorporation of complex data treatment tasks. Customizable processing chains permit the execution of many data processing steps to convert a single image or a batch of raw two-dimensional data into meaningful data and one-dimensional diffractograms. The processed data files contain the full data provenance of each process applied to the data. The calibration routines can run automatically even for high energies and also for large detector tilt angles. Some of the functionalities are highlighted by specific use cases.

  2. X-ray diffraction 2 - diffraction principles

    International Nuclear Information System (INIS)

    O'Connor, B.

    1999-01-01

    Full text: The computation of powder diffraction intensities is based on the principle that the powder pattern comprises the summation of the intensity contributions from each of the crystallites (or single crystals) in the material. Therefore, it is of value for powder diffractionists to appreciate the form of the expression for calculating single crystal diffraction pattern intensities. This knowledge is especially important for Rietveld analysis practitioners in terms of the (i) mathematics of the method and (ii) retrieving single crystal structure data from the literature. We consider the integrated intensity from a small single crystal being rotated at velocity ω through the Bragg angle θ for reflection (hkl).... I(hkl) = [l o /ω]. [e 4 /m 2 c 4 ]. [λ 3 δV F(hkl) 2 /υ 2 ].[(1+cos 2 2θ)/2sin2θ] where e, m and c are the usual fundamental constants; λ is the x-ray wavelength, δV is the crystallite volume; F(hkl) is the structure factor; υ is the unit cell volume; and (1+cos 2 θ)/2sin2θ] is the Lorentz-polarisation factor for an unpolarised incident beam. The expression does not include a contribution for extinction. The influence of factors λ, δV, F(hkl) and υ on the intensities should be appreciated by powder diffractionists, especially the structure factor, F(hkl), which is responsible for the fingerprint nature of diffraction patterns, such as the rise and fall of intensity from peak to peak. The structure factor expression represents the summation of the scattered waves from each of the j scattering centres (i e atoms) in the unit cell: F(hkl) Σ f j exp[2πi (h.x j +k.y i +l. z i )] T j . Symbol f is the scattering factor (representing the atom-type scattering efficiency); (x, y, z) are the fractional position coordinates of atom j within the unit cell; and T is the thermal vibration factor for the atom given by: T j = 8π 2 2 > sin 2 θ/λ 2 with 2 > being the mean-square vibration amplitude of the atom (assumed to be isotropic). The

  3. Carbon nanohorns under cold compression to 40 GPa: Raman scattering and X-ray diffraction experiments

    Science.gov (United States)

    Li, Bo; Nan, Yanli; Zhao, Xiang; Song, Xiaolong; Li, Haining; Wu, Jie; Su, Lei

    2017-11-01

    We report a high-pressure behavior of carbon nanohorns (CNHs) to 40 GPa at ambient temperature by in situ Raman spectroscopy and synchrotron radiation x-ray diffraction (XRD) in a diamond anvil cell. In Raman measurement, multiple structural transitions are observed. In particular, an additional band at ˜1540 cm-1 indicative of sp3 bonding is shown above 35 GPa, but it reverses upon releasing pressure, implying the formation of a metastable carbon phase having both sp2 and sp3 bonds. Raman frequencies of all bands (G, 2D, D + G, and 2D') are dependent upon pressure with respective pressure coefficients, among which the value for the G band is as small as ˜2.65 cm-1 GPa-1 above 10 GPa, showing a superior high-pressure structural stability. Analysis based on mode Grüneisen parameter demonstrates the similarity of high-pressure behavior between CNHs and single-walled carbon nanotubes. Furthermore, the bulk modulus and Grüneisen parameter for the G band of CNHs are calculated to be ˜33.3 GPa and 0.1, respectively. In addition, XRD data demonstrate that the structure of post-graphite phase derives from surface nanohorns. Based on topological defects within conical graphene lattice, a reasonable transformation route from nanohorns to the post-graphite phase is proposed.

  4. Anomalous x-ray scattering

    International Nuclear Information System (INIS)

    Wendin, G.

    1979-01-01

    The availability of tunable synchrotron radiation has made it possible systematically to perform x-ray diffraction studies in regions of anomalous scattering near absorption edges, e.g. in order to derive phase information for crystal structure determination. An overview is given of recent experimental and theoretical work and discuss the properties of the anomalous atomic scattering factor, with emphasis on threshold resonances and damping effects. The results are applied to a discussion of the very strong anomalous dispersion recently observed near the L 3 edge in a cesium complex. Also given is an overview of elements and levels where similar behavior can be expected. Finally, the influence of solid state and chemical effects on the absorption edge structure is discussed. 64 references

  5. Purification, crystallization, small-angle X-ray scattering and preliminary X-ray diffraction analysis of the SH2 domain of the Csk-homologous kinase.

    Science.gov (United States)

    Gunn, Natalie J; Gorman, Michael A; Dobson, Renwick C J; Parker, Michael W; Mulhern, Terrence D

    2011-03-01

    The C-terminal Src kinase (Csk) and Csk-homologous kinase (CHK) are endogenous inhibitors of the proto-oncogenic Src family of protein tyrosine kinases (SFKs). Phosphotyrosyl peptide binding to their Src-homology 2 (SH2) domains activates Csk and CHK, enhancing their ability to suppress SFK signalling; however, the detailed mechanistic basis of this activation event is unclear. The CHK SH2 was expressed in Escherichia coli and the purified protein was characterized as monomeric by synchrotron small-angle X-ray scattering in-line with size-exclusion chromatography. The CHK SH2 crystallized in 0.2 M sodium bromide, 0.1 M bis-Tris propane pH 6.5 and 20% polyethylene glycol 3350 and the best crystals diffracted to ∼1.6 Å resolution. The crystals belonged to space group P2, with unit-cell parameters a=25.8, b=34.6, c=63.2 Å, β=99.4°.

  6. Microscope Raman scattering and X-ray diffraction study of near-stoichiometric Ti:LiNbO3 waveguides

    International Nuclear Information System (INIS)

    Zhang, De-Long; Siu, G.G.; Pun, E.Y.B.

    2005-01-01

    The crystalline phase within guiding layers of near-stoichiometric strip and planar Ti:LiNbO 3 wave-guides, prepared by the method of simultaneous work of vapour transport equilibration (VTE) treatment and indiffusion of Ti film, was studied by combined confocal microscope Raman scattering and X-ray powder diffraction. The results show that the strip and planar waveguide layers still retain the LiNbO 3 phase and no other non-LiNbO 3 phases can be identified within the guiding layer. Li/Nb ratios inside and outside the strip and planar waveguide layers were determined from the microscope Raman scattering results and compared to those obtained from the measured optical absorption edge. It is shown that the Li/Nb ratios are homogeneous within the waveguide layer and are close inside and outside the waveguide layer. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Submicron X-ray diffraction

    International Nuclear Information System (INIS)

    MacDowell, Alastair; Celestre, Richard; Tamura, Nobumichi; Spolenak, Ralph; Valek, Bryan; Brown, Walter; Bravman, John; Padmore, Howard; Batterman, Boris; Patel, Jamshed

    2000-01-01

    At the Advanced Light Source in Berkeley the authors have instrumented a beam line that is devoted exclusively to x-ray micro diffraction problems. By micro diffraction they mean those classes of problems in Physics and Materials Science that require x-ray beam sizes in the sub-micron range. The instrument is for instance, capable of probing a sub-micron size volume inside micron sized aluminum metal grains buried under a silicon dioxide insulating layer. The resulting Laue pattern is collected on a large area CCD detector and automatically indexed to yield the grain orientation and deviatoric (distortional) strain tensor of this sub-micron volume. A four-crystal monochromator is then inserted into the beam, which allows monochromatic light to illuminate the same part of the sample. Measurement of diffracted photon energy allows for the determination of d spacings. The combination of white and monochromatic beam measurements allow for the determination of the total strain/stress tensor (6 components) inside each sub-micron sized illuminated volume of the sample

  8. The architecture of amyloid-like peptide fibrils revealed by X-ray scattering, diffraction and electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Langkilde, Annette E., E-mail: annette.langkilde@sund.ku.dk [University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen (Denmark); Morris, Kyle L.; Serpell, Louise C. [University of Sussex, Falmer, Brighton (United Kingdom); Svergun, Dmitri I. [European Molecular Biology Laboratory, Hamburg Outstation, 22607 Hamburg (Germany); Vestergaard, Bente [University of Copenhagen, Universitetsparken 2, DK-2100 Copenhagen (Denmark)

    2015-04-01

    The aggregation process and the fibril state of an amyloidogenic peptide suggest monomer addition to be the prevailing mechanism of elongation and a model of the peptide packing in the fibrils has been obtained. Structural analysis of protein fibrillation is inherently challenging. Given the crucial role of fibrils in amyloid diseases, method advancement is urgently needed. A hybrid modelling approach is presented enabling detailed analysis of a highly ordered and hierarchically organized fibril of the GNNQQNY peptide fragment of a yeast prion protein. Data from small-angle X-ray solution scattering, fibre diffraction and electron microscopy are combined with existing high-resolution X-ray crystallographic structures to investigate the fibrillation process and the hierarchical fibril structure of the peptide fragment. The elongation of these fibrils proceeds without the accumulation of any detectable amount of intermediate oligomeric species, as is otherwise reported for, for example, glucagon, insulin and α-synuclein. Ribbons constituted of linearly arranged protofilaments are formed. An additional hierarchical layer is generated via the pairing of ribbons during fibril maturation. Based on the complementary data, a quasi-atomic resolution model of the protofilament peptide arrangement is suggested. The peptide structure appears in a β-sheet arrangement reminiscent of the β-zipper structures evident from high-resolution crystal structures, with specific differences in the relative peptide orientation. The complexity of protein fibrillation and structure emphasizes the need to use multiple complementary methods.

  9. X-ray scattering and diffraction from Xe-induced ripples in crystalline silicon

    Energy Technology Data Exchange (ETDEWEB)

    Biermanns, Andreas; Pietsch, Ullrich; Grigorian, Souren [Universitaet Siegen (Germany); Grenzer, Joerg; Facsko, Stefan; Hanisch, Antje [Foschungszentrum Dresden-Rossendorf (Germany); Carbone, Dina; Metzger, Hartmut [ID Beamline, ESRF (France)

    2008-07-01

    The formation of surface-nanostructures with a characteristic size ranging from several nanometer up to microns has attracted significant interest in the last decades in the context of fabrication of novel opto-electronic and storage devices. One kind of those nanostructures are wave-like patterns (ripples) produced by an interplay between a roughening process caused by ion beam erosion (sputtering) of the surface and smoothening processes caused by surface diffusion. In this contribution we report on investigations of patterned Si(001) surfaces after irradiation with Xe{sup +}-ions using ion-energies up to 40 keV. During the sputtering, an amorphous surface-layer is formed followed by a rather sharp interface towards crystalline material, showing the same morphology as the surface. The structures of the amorphous layer and the amorphous-crystalline interface were studied by means of grazing-incidence-small angle scattering (GISAXS) and diffraction (GID) using synchrotron-radiation. We found that the crystal structure at the interface is expanded along the ripples, caused by the creation of defects inside the surface region, whereas this expansion is strongly reduced across the ripples. This different relaxation may play a driving role in pattern formation at the interface.

  10. Diffractive X-Ray Telescopes

    International Nuclear Information System (INIS)

    Skinner, G.K.; Skinner, G.K

    2010-01-01

    Diffractive X-ray telescopes using zone plates, phase Fresnel lenses, or related optical elements have the potential to provide astronomers with true imaging capability with resolution several orders of magnitude better than available in any other waveband. Lenses that would be relatively easy to fabricate could have an angular resolution of the order of micro arc seconds or even better, that would allow, for example, imaging of the distorted spacetime in the immediate vicinity of the supermassive black holes in the center of active galaxies What then is precluding their immediate adoption Extremely long focal lengths, very limited bandwidth, and difficulty stabilizing the image are the main problems. The history and status of the development of such lenses is reviewed here and the prospects for managing the challenges that they present are discussed atmospheric absorption

  11. Polarisation resonance in X-ray diffraction

    International Nuclear Information System (INIS)

    Goodman, P.; Paterson, D.; Matheson, S.

    1994-01-01

    The study of crystal structures by means of dynamic X-ray diffraction has placed a challenge to theoreticians to revise the X-ray diffraction theory based on Maxwell's equation. In this paper the feasibility of using 'polarisation resonance' as a tool in the determination of absolute configuration for asymmetric structures is investigated. Two (left- and right-handed), σ + and σ- , circular polarization states for 3-beam conditions are considered. Moreover, extending interaction into the 3 rd. dimension (normal to the beam) opens the possibility of absolute configuration determination of asymmetric structures in 3 dimensions. The computational scheme used is shown in terms of scattering diagrams. 7 refs., 1 tab., 6 figs

  12. Glancing angle synchrotron X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cernik, R J [Daresbury Lab., Warrington, WA (United States)

    1996-09-01

    This paper describes in basic detail some of the techniques that can be used to study thin films and surfaces. These are all in the X-ray region and cover reflectivity, diffraction form polycrystalline films, textured films and single crystal films. Other effects such as fluorescence and diffuse scattering are mentioned but not discussed in detail. Two examples of the reflectivity from multilayers and the diffraction from iron oxide films are discussed. The advantages of the synchrotron for these studies is stressed and the experimental geometries that can be employed are described i detail. A brief bibliography is provided at the end to accompany this part of the 1996 Frascati school.

  13. Glancing angle synchrotron X-ray diffraction

    International Nuclear Information System (INIS)

    Cernik, R.J.

    1996-01-01

    This paper describes in basic detail some of the techniques that can be used to study thin films and surfaces. These are all in the X-ray region and cover reflectivity, diffraction form polycrystalline films, textured films and single crystal films. Other effects such as fluorescence and diffuse scattering are mentioned but not discussed in detail. Two examples of the reflectivity from multilayers and the diffraction from iron oxide films are discussed. The advantages of the synchrotron for these studies is stressed and the experimental geometries that can be employed are described i detail. A brief bibliography is provided at the end to accompany this part of the 1996 Frascati school

  14. DMSO-induced dehydration of DPPC membranes studied by x-ray diffraction, small angle neutron scattering and calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Kiselev, M A; Kiselev, A M [Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna (Russian Federation); Lesieur, P [LURE, Universite Paris-Sud, Bat. 209-D, F91405 Orsay cedex, (France); Grabielle-Madelmond, C; Ollivon, M [Physico-Chimie des systemes polyphases, URA 1218 du CNRS, Faculte de Pharmacie, tour B, F-92296, Chatenay Malabry (France)

    1998-12-01

    The properties of dimethyl sulfoxide (DMSO), a cryoprotector well known for its biological and therapeutic applications, were investigated on lipid membranes by x-ray diffraction, differential scanning calorimetry (DSC) and small angle neutron scattering (SANS). The DSC study of water freezing and melting of ice was performed in the ternary system which consists of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC)/DMSO/water system. The influence of DMSO on the DPPC membrane structure was established in the excess of solvent in the region of DMSO mole fraction from 0.0 to 1.0. The methods applied demonstrated the differences in the membrane structure in three sub-regions of DMSO mole fraction (X{sub DMSO}) from 0.0 to 0.3 for the first, from 0.3 to 0.9 for the second, and from 0.9 to 1.0 for the third sub-region. The results for 0.0 {<=} X{sub DMSO} {<=} 0.3 can be explained in the framework of DMSO-induced dehydration of intermembrane space 11 refs., 7 figs. Submitted to the Conference `ISSRNS`98`, 15-20 Jun 1998, Ustron-Jaszowiec, Poland

  15. DMSO-induced dehydration of DPPC membranes studied by x-ray diffraction, small angle neutron scattering and calorimetry

    International Nuclear Information System (INIS)

    Kiselev, M.A.; Kiselev, A.M.; Lesieur, P.; Grabielle-Madelmond, C.; Ollivon, M.

    1998-01-01

    The properties of dimethyl sulfoxide (DMSO), a cryoprotector well known for its biological and therapeutic applications, were investigated on lipid membranes by x-ray diffraction, differential scanning calorimetry (DSC) and small angle neutron scattering (SANS). The DSC study of water freezing and melting of ice was performed in the ternary system which consists of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC)/DMSO/water system. The influence of DMSO on the DPPC membrane structure was established in the excess of solvent in the region of DMSO mole fraction from 0.0 to 1.0. The methods applied demonstrated the differences in the membrane structure in three sub-regions of DMSO mole fraction (X DMSO ) from 0.0 to 0.3 for the first, from 0.3 to 0.9 for the second, and from 0.9 to 1.0 for the third sub-region. The results for 0.0 ≤ X DMSO ≤ 0.3 can be explained in the framework of DMSO-induced dehydration of intermembrane space

  16. Elastic anisotropy of polycrystalline Au films: Modeling and respective contributions of X-ray diffraction, nanoindentation and Brillouin light scattering

    International Nuclear Information System (INIS)

    Faurie, D.; Djemia, P.; Le Bourhis, E.; Renault, P.-O.; Roussigne, Y.; Cherif, S.M.; Brenner, R.; Castelnau, O.; Patriarche, G.; Goudeau, Ph.

    2010-01-01

    Elastic properties of non-textured and {1 1 1}-fiber-textured gold thin films were investigated experimentally by several complementary techniques, namely in situ tensile testing under X-ray diffraction (XRD), nanoindentation and Brillouin light scattering (BLS). Specimens were probed along different directions to reveal the strong effects of elastic anisotropy at the (local) grain and (global) film scales. XRD allows the investigation of both local and global anisotropies, while BLS and nanoindentation are limited to global analyses. A micromechanical model, based on the self-consistent scheme, and accounting for the actual microstructure of the films, is applied to interpret experimental data. Although different types of elastic constants can be determined with the used experimental techniques (static/dynamic, local/global), a good agreement is obtained, showing that comparison of these techniques is feasible when carried out carefully. In particular, the use of a micromechanical model to estimate the effects of the local elastic anisotropy at the film scale is unavoidable. The presented results show that XRD, BLS and nanoindentation should capture anisotropic texture effects on elastic constants measurements for materials with a Zener anisotropy index larger than 2. Conversely, the actual texture of a given specimen should be taken into account for a proper analysis of elastic constants measurements using those three experimental techniques.

  17. X-ray topography and multiple diffraction

    International Nuclear Information System (INIS)

    Chang, S.-L.

    1983-01-01

    A short summary on X-ray topography, which is based on the dynamical theory of X-ray diffraction, is made. The applications and properties related to the use of the multiple diffraction technique are analized and discussed. (L.C.) [pt

  18. Resonant x-ray scattering in correlated systems

    CERN Document Server

    Ishihara, Sumio

    2017-01-01

    The research and its outcomes presented here is devoted to the use of x-ray scattering to study correlated electron systems and magnetism. Different x-ray based methods are provided to analyze three dimensional electron systems and the structure of transition-metal oxides. Finally the observation of multipole orderings with x-ray diffraction is shown.

  19. Resonant X-ray scattering in correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Murakami, Youichi [High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan). Inst. of Materials Structure Science; Ishihara, Sumio (ed.) [Tohoku Univ., Sendai, Miyagi (Japan). Dept. of Physics

    2017-03-01

    The research and its outcomes presented here is devoted to the use of X-ray scattering to study correlated electron systems and magnetism. Different X-ray based methods are provided to analyze three dimensional electron systems and the structure of transition-metal oxides. Finally the observation of multipole orderings with X-ray diffraction is shown.

  20. Theory of time-resolved inelastic x-ray diffraction

    DEFF Research Database (Denmark)

    Lorenz, Ulf; Møller, Klaus Braagaard; Henriksen, Niels Engholm

    2010-01-01

    Starting from a general theory of time-resolved x-ray scattering, we derive a convenient expression for the diffraction signal based on a careful analysis of the relevant inelastic scattering processes. We demonstrate that the resulting inelastic limit applies to a wider variety of experimental...... conditions than similar, previously derived formulas, and it directly allows the application of selection rules when interpreting diffraction signals. Furthermore, we present a simple extension to systems simultaneously illuminated by x rays and a laser beam....

  1. Two-dimensional x-ray diffraction

    CERN Document Server

    He, Bob B

    2009-01-01

    Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea

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

    Czech Academy of Sciences Publication Activity Database

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

    2016-01-01

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

  3. A short note on physical properties to irradiated nuclear fuel by means of X-ray diffraction and neutron scattering techniques

    Energy Technology Data Exchange (ETDEWEB)

    Abdullah, Yusof, E-mail: yusofabd@nuclearmalaysia.gov.my; Husain, Hishamuddin; Hak, Cik Rohaida Che; Alias, Nor Hayati; Yusof, Mohd Reusmaazran; Kasim, Norasiah Ab; Zali, Nurazila Mat [Malaysian Nuclear Agency, Bangi, Kajang 43000, Selangor (Malaysia); Mohamed, Abdul Aziz [College of Engineering, Universiti Tenaga National, Jalan Ikram-Uniten, 43000 Kajang, Selangor (Malaysia)

    2015-04-29

    For nuclear reactor applications, understanding the evolution of the fuel materials microstructure during irradiation are of great importance. This paper reviews the physical properties of irradiated nuclear fuel analysis which are considered to be of most importance in determining the performance behavior of fuel. X-rays diffraction was recognize as important tool to investigate the phase identification while neutron scattering analyses the interaction between uranium and other materials and also investigation of the defect structure.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

    Diffraction-limited storage rings will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size in resonant inelastic X-ray scattering (RIXS) experiments to new limits. In this article the types of improved soft X-ray RIXS studies that will become possible with these instrumental improvements are envisioned. The spectroscopic technique of resonant inelastic X-ray scattering (RIXS) will particularly profit from immensely improved brilliance of diffraction-limited storage rings (DLSRs). In RIXS one measures the intensities of excitations as a function of energy and momentum transfer. DLSRs will allow for pushing the achievable energy resolution, signal intensity and the sampled spot size to new limits. With RIXS one nowadays probes a broad range of electronic systems reaching from simple molecules to complex materials displaying phenomena like peculiar magnetism, two-dimensional electron gases, superconductivity, photovoltaic energy conversion and heterogeneous catalysis. In this article the types of improved RIXS studies that will become possible with X-ray beams from DLSRs are envisioned

  5. X-ray diffraction microtomography using synchrotron radiation

    CERN Document Server

    Barroso, R C; Jesus, E F O; Oliveira, L F

    2001-01-01

    The X-ray diffraction computed tomography technique is based on the interference phenomena of the coherent scatter. For low-momentum transfer, it is most probable that the scattering interaction will be coherent. A selective discrimination of a given element in a scanned specimen can be realized by fixing the Bragg angle which produces an interference peak and then, to carry out the computed tomography in the standard mode. The image reconstructed exalts the presence of this element with respect to other ones in a sample. This work reports the feasibility of a non-destructive synchrotron radiation X-ray diffraction imaging technique. This research was performed at the X-ray Diffraction beam line of the National Synchrotron Light Laboratory (LNLS) in Brazil. The coherent scattering properties of different tissue and bone substitute materials were evaluated. Furthermore, diffraction patterns of some polycrystalline solids were studied due to industrial and environmental human exposure to these metals. The obtai...

  6. The magnetic order of GdMn{sub 2}Ge{sub 2} studied by neutron diffraction and x-ray resonant magnetic scattering

    Energy Technology Data Exchange (ETDEWEB)

    Granovsky, S A [M V Lomonosov Moscow State University, 119991 GSP-1 Moscow (Russian Federation); Kreyssig, A; Canfield, P C [Ames Laboratory USDOE, Iowa State University, Ames, IA 50011 (United States); Doerr, M; Loewenhaupt, M [TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany); Ritter, C [Institut Laue-Langevin, F-38042 Grenoble Cedex 9 (France); Dudzik, E; Feyerherm, R, E-mail: ser@plms.r [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, BESSY, D-12489, Berlin (Germany)

    2010-06-09

    The magnetic structure of GdMn{sub 2}Ge{sub 2} (tetragonal I4/mmm) has been studied by hot neutron powder diffraction and x-ray resonant magnetic scattering techniques. These measurements, along with the results of bulk experiments, confirm the collinear ferrimagnetic structure with moment direction parallel to the c-axis below T{sub C} = 96 K and the collinear antiferromagnetic phase in the temperature region T{sub C} < T < T{sub N} = 365 K. In the antiferromagnetic phase, x-ray resonant magnetic scattering has been detected at Mn K and Gd L{sub 2} absorption edges. The Gd contribution is a result of an induced Gd 5d electron polarization caused by the antiferromagnetic order of Mn-moments.

  7. Design and performance of U7B beamline and X-ray diffraction and scattering station at NSRL and its preliminary experiments in protein crystallography

    International Nuclear Information System (INIS)

    Pan Guoqiang; Xu, Chaoyin; Fan Rong; Gao Chen; Lou Xiaohua; Teng Maikun; Huang Qingqiu; Niu Liwen

    2005-01-01

    This publication describes the design and performance of the U7B beamline and X-ray diffraction and diffuse scattering station at National Synchrotron Radiation Laboratory (NSRL). The beamline optics comprise a Pt-coated toroidal focusing mirror and a double-crystal Si(1 1 1) monochromator. A preliminary experiment of diffraction data collection and processing was carried out using a commercial imaging plate detector system (Mar345). The data collected from one single crystal of acutohaemolysin, a Lys49-type PLA2 from Agkistrodon acutus venom, are of high quality

  8. Scattering of x rays from low-Z materials

    International Nuclear Information System (INIS)

    Gaines, J.L.; Kissel, L.D.; Catron, H.C.; Hansen, R.A.

    1980-01-01

    X rays incident on thin beryllium, boron, carbon, and other low-Z materials undergo both elastic and inelastic scattering as well as diffraction from the crystalline or crystalline-like structure of the material. Unpolarized monoenergetic x rays in the 1.5 to 8.0-keV energy range were used to determine the absolute scattering efficiency of thin beryllium, carbon, and boron foils. These measurements are compared to calculated scattering efficiencies predicted by single-atom theories. In addition, the relative scattering efficiency versus x-ray energy was measured for other low-Z foils using unpolarized bremsstrahlung x rays. In all the low-Z foils examined, we observed Bragg-like x-ray diffraction due to the ordered structure of the materials

  9. Crystal structure of non-stoichiometric copper selenides studied by neutron scattering and X-ray diffraction

    International Nuclear Information System (INIS)

    Bikkulova, N.N.; Yagafarova, Z.A.; Asylguzhina, G.N.; Danilkin, S.A.; Fuess, H.; Skomorokhov, A.N.; Yadrovskii, E.L.; Beskrovnyi, A.I.

    2003-01-01

    Structural characteristics of non-stoichiometric copper selenides were studied by the elastic neutron and X-ray scattering techniques. Rietveld analysis was used to refine the structure of the high-temperature β-phase of the Cu 1.75 Se, Cu 1.78 Se, and Cu 1.83 Se samples. The homogeneity ranges of the cubic phase were determined. The modification of the crystal structure accompanying the β-α phase transition was studied for Cu 1.75 Se and Cu 1.98 Se compounds within the 443-10 K temperature range. It was shown that the phase transition is accompanied by distortions of the fcc lattice and the ordering of copper ions

  10. 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.

  11. X-ray filter for x-ray powder diffraction

    Science.gov (United States)

    Sinsheimer, John Jay; Conley, Raymond P.; Bouet, Nathalie C. D.; Dooryhee, Eric; Ghose, Sanjit

    2018-01-23

    Technologies are described for apparatus, methods and systems effective for filtering. The filters may comprise a first plate. The first plate may include an x-ray absorbing material and walls defining first slits. The first slits may include arc shaped openings through the first plate. The walls of the first plate may be configured to absorb at least some of first x-rays when the first x-rays are incident on the x-ray absorbing material, and to output second x-rays. The filters may comprise a second plate spaced from the first plate. The second plate may include the x-ray absorbing material and walls defining second slits. The second slits may include arc shaped openings through the second plate. The walls of the second plate may be configured to absorb at least some of second x-rays and to output third x-rays.

  12. A comparison of the effect of multiple scattering on first and second order X-ray diffraction from textured polycrystals, for the investigation of secondary extinction

    Energy Technology Data Exchange (ETDEWEB)

    Palacios G, J., E-mail: jpalacios@ipn.mx [IPN, Escuela Superior de Fisica y Matematicas, San Pedro Zacatenco 07738, Ciudad de Mexico (Mexico)

    2016-11-01

    The integrated intensity of Debye-Scherrer (D-S) rings, arising from an eventual second diffraction process of a diffracted X-ray beam, was calculated. This represents the amount of intensity not arriving at the detector as oriented to register the first diffraction process, and as result, a measure of secondary extinction. Thus the objective is to investigate in this way if secondary extinction affects measurements of X-ray diffraction from textured polycrystals. This has been suggested by differences of pole density maxima observed between measured first and second order pole figures in strongly textured materials. Calculations are performed for a detector scan (varying only 2θ), and the integrated intensity is determined for first and second order diffraction conditions of a general plane (hkl). Normalization through corresponding powder is performed. It is found that this special case of multiple scattering effect, indeed affects both orders essentially in the same way. If corresponding detector scan measurements verify this, then the observed differences between pole density maxima of pole figures of different order cannot be attributed to secondary extinction. Instead, they can be attributed to heterogeneous texture or error propagation. On the other hand, if the detector scans do exhibit a difference as that of pole density maxima, these differences can possibly be attributed to primary extinction. (Author)

  13. VPD residue search by monitoring scattered x-rays

    International Nuclear Information System (INIS)

    Mori, Y.; Yamagami, M.; Yamada, T.

    2000-01-01

    Recently, VPD-TXRF has come into wide use for semiconductor analysis. In VPD-TXRF technique, adjusting the mechanical measuring point to the center of dried residue is of importance for accurate determination. Until now, the following searching methods have been used: monitoring light scattering under bright illumination, using laser scattering particle mapper, applying internal standard as a marker. However, each method has individual disadvantage. For example, interference of Kβ line (ex. Sc-Kβ to Ti-Kα) occurs in the internal standard method. We propose a new searching method 'scattered x-ray search' which utilizes x-ray scattering form the dried residue as a marker. Since the line profile of x-ray scattering agrees with that of fluorescent x-rays, scattered x-ray can be used as an alternative marker instead of internal standard. According to our experimental results, this search method shows the same accuracy as internal standard method. The merits are as follows: 1) no need to add internal standard, 2) rapid search because of high intensity of scattered x-rays, 3) searching software for internal standard can be applied without any modification. In this method, diffraction of incident x-rays by substrate causes irregular change over the detected scattering x-rays. Therefore, this method works better under x-y controlled stage than r-Θ one. (author)

  14. 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.

  15. Quantum effets in nonresonant X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Slowik, Jan Malte

    2015-11-15

    experiments. In the quantum theory it has however been revealed that X-ray scattering patterns of electronic motion are related to complex spatio-temporal correlations, instead of the instantaneous electron density. I scrutinize the time-resolved scattering pattern from coherent electronic wave packets. I show that timeresolved PCI recovers the instantaneous electron density of electronic motion. For the far-field diffraction scattering pattern, I analyze the influence of photon energy resolution of the detector. Moreover, I demonstrate that X-ray scattering from a crystal of identical wave packets also recovers the instantaneous electron density. I point out that a generalized electron density propagator of the wave packet can be reconstructed from a scattering experiment. Finally, I propose timeresolved Compton scattering of electronic wave packets. I show that X-ray scattering with large energy transfer can be used to recover the instantaneous momentum space density of the target. The third topic of this dissertation is Compton scattering in single molecule coherent diffractive imaging (CDI). The structure determination of single macromolecules via CDI is one of the key applications of XFELs. The structure of the molecule can be reconstructed from the elastic diffraction pattern. Inelastic X-ray scattering generates a background signal, which I determine for typical high-intensity imaging conditions. I find that at high X-ray fluence the background signal becomes dominating, posing a problem for high resolution imaging. The strong ionization by the X-ray pulse may ionize several electrons per atom. Scattering from these free electrons makes a major contribution to the background signal. I present and discuss detailed numerical studies for different X-ray fluence and photon energy.

  16. Quantum effets in nonresonant X-ray scattering

    International Nuclear Information System (INIS)

    Slowik, Jan Malte

    2015-11-01

    experiments. In the quantum theory it has however been revealed that X-ray scattering patterns of electronic motion are related to complex spatio-temporal correlations, instead of the instantaneous electron density. I scrutinize the time-resolved scattering pattern from coherent electronic wave packets. I show that timeresolved PCI recovers the instantaneous electron density of electronic motion. For the far-field diffraction scattering pattern, I analyze the influence of photon energy resolution of the detector. Moreover, I demonstrate that X-ray scattering from a crystal of identical wave packets also recovers the instantaneous electron density. I point out that a generalized electron density propagator of the wave packet can be reconstructed from a scattering experiment. Finally, I propose timeresolved Compton scattering of electronic wave packets. I show that X-ray scattering with large energy transfer can be used to recover the instantaneous momentum space density of the target. The third topic of this dissertation is Compton scattering in single molecule coherent diffractive imaging (CDI). The structure determination of single macromolecules via CDI is one of the key applications of XFELs. The structure of the molecule can be reconstructed from the elastic diffraction pattern. Inelastic X-ray scattering generates a background signal, which I determine for typical high-intensity imaging conditions. I find that at high X-ray fluence the background signal becomes dominating, posing a problem for high resolution imaging. The strong ionization by the X-ray pulse may ionize several electrons per atom. Scattering from these free electrons makes a major contribution to the background signal. I present and discuss detailed numerical studies for different X-ray fluence and photon energy.

  17. Scattered X-ray beam nondestructive testing

    International Nuclear Information System (INIS)

    Harding, G.; Kosanetzky, J.

    1988-01-01

    X-ray scatter interactions generally dominate the linear attenuation coefficient at the photon energies typical of medical and industrial radiography. Specific advantages of X-ray scatter imaging, including a flexible choice of measurement geometry, direct 3D-imaging capability (tomography) and improved information for material characterization, are illustrated with results from Compton and coherent scatter devices. Applications of a Compton backscatter scanner (ComScan) in the aerospace industry and coherent scatter imaging in security screening are briefly considered [pt

  18. Coherent X-ray diffraction studies of mesoscopic materials

    International Nuclear Information System (INIS)

    Shabalin, Anatoly

    2015-12-01

    This thesis is devoted to three separate projects, which can be considered as independent. First, the dynamical scattering effects in the Coherent X-ray Diffractive Imaging (CXDI) method are discussed. Based on the simulation results, a straightforward method for correction for the refraction and absorption artifacts in the Bragg CXDI reconstruction is suggested. The second part summarizes the results of an Coherent X-ray Diffractive Imaging experiment with a single colloidal crystal grain. A remarkable result is that positions of individual particles in the crystal lattice have been resolved in three dimensions. The third project is devoted to X-ray diffraction experimental studies of structural evolution of colloidal crystalline films upon incremental heating. Based on the results of the analysis a model of structural evolution of a colloidal crystal upon heating on nanoscopic and mesoscopic length scales is suggested.

  19. X-ray diffraction device comprising cooling medium connections provided on the x-ray tube

    NARCIS (Netherlands)

    1996-01-01

    An X-ray diffraction device comprises a water-cooled X-ray tube which exhibits a line focus as well as, after rotation through 90 DEG , a point focus. Contrary to customary X-ray tubes, the cooling water is not supplied via the housing (12) in which the X-ray tube is mounted, but the cooling water

  20. Basic of X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-09-01

    The basic concepts of X-ray diffraction may be more easily understood if it is made preliminary use of a mathematical background. In these pages the authors will first define the delta function and its use for the representation of a lattice. Then the concepts of Fourier transform and convolution are given. At the end of this talk one should realize that a crystal is the convolution of the lattice with a function representing the content of the unit cell.

  1. Basic of X-ray diffraction

    International Nuclear Information System (INIS)

    Giacovazzo, C.

    1996-01-01

    The basic concepts of X-ray diffraction may be more easily understood if it is made preliminary use of a mathematical background. In these pages the authors will first define the delta function and its use for the representation of a lattice. Then the concepts of Fourier transform and convolution are given. At the end of this talk one should realize that a crystal is the convolution of the lattice with a function representing the content of the unit cell

  2. Crystal structure of fluorite-related Ln3SbO7 (Ln=La–Dy) ceramics studied by synchrotron X-ray diffraction and Raman scattering

    International Nuclear Information System (INIS)

    Siqueira, K.P.F.; Borges, R.M.; Granado, E.; Malard, L.M.; Paula, A.M. de; Moreira, R.L.; Bittar, E.M.; Dias, A.

    2013-01-01

    Ln 3 SbO 7 (Ln=La, Pr, Nd, Sm, Eu, Gd, Tb and Dy) ceramics were synthesized by solid-state reaction in optimized conditions of temperature and time to yield single-phase ceramics. The crystal structures of the obtained ceramics were investigated by synchrotron X-ray diffraction, second harmonic generation (SHG) and Raman scattering. All samples exhibited fluorite-type orthorhombic structures with different oxygen arrangements as a function of the ionic radius of the lanthanide metal. For ceramics with the largest ionic radii (La–Nd), the ceramics crystallized into the Cmcm space group, while the ceramics with intermediate and smallest ionic radii (Sm–Dy) exhibited a different crystal structure belonging to the same space group, described under the Ccmm setting. The results from SHG and Raman scattering confirmed these settings and ruled out any possibility for the non-centrosymmetric C222 1 space group describing the structure of the small ionic radii ceramics, solving a recent controversy in the literature. Besides, the Raman modes for all samples are reported for the first time, showing characteristic features for each group of samples. - Graphical abstract: Raman spectrum for La 3 SbO 7 ceramics showing their 22 phonon modes adjusted through Lorentzian lines. According to synchrotron X-ray diffraction and Raman scattering, this material belongs to the space group Cmcm. - Highlights: • Ln 3 SbO 7 ceramics belonging to the space groups Cmcm and Ccmm are synthesized. • SXRD, SHG and Raman scattering confirmed the orthorhombic structures. • Ccmm instead of C222 1 is the correct one based on SHG and Raman data

  3. X-ray scattering by interstellar dust

    International Nuclear Information System (INIS)

    Rolf, D.

    1980-10-01

    This thesis reports work carried out to make a first observation of x-rays scattered by interstellar dust grains. Data about the dust, obtained at wavelengths ranging from the infrared to ultra-violet spectral regions, are discussed in order to establish a useful description of the grains themselves. This is then used to estimate the magnitude and form of the expected x-ray scattering effect which is shown to manifest itself as a diffuse halo accompanying the image of a celestial x-ray source. Two x-ray imaging experiments are then discussed. The first, specifically proposed to look for this effect surrounding a point x-ray source, was the Skylark 1611 project, and comprised an imaging proportional counter coupled to an x-ray mirror. This is described up to its final calibration when the basis for a concise model of its point response function was established. The experiment was not carried out but its objective and the experience gained during its testing were transferred to the second of the x-ray imaging experiments, the Einstein Observatory. The new instrumental characteristics are described and a model for its point response function is developed. Using this, image data for the point x-ray source GX339-4 is shown to exhibit the sought after scattering phenomenon. (author)

  4. Nanoporous active carbons at ambient conditions: a comparative study using X-ray scattering and diffraction, Raman spectroscopy and N2 adsorption

    Science.gov (United States)

    Shiryaev, A. A.; Voloshchuk, A. M.; Volkov, V. V.; Averin, A. A.; Artamonova, S. D.

    2017-05-01

    Furfural-derived sorbents and activated carbonaceous fibers were studied using Small- and Wide-angle X-ray scattering (SWAXS), X-ray diffraction and multiwavelength Raman spectroscopy after storage at ambient conditions. Correlations between structural features with degree of activation and with sorption parameters are observed for samples obtained from a common precursor and differing in duration of activation. However, the correlations are not necessarily applicable to the carbons obtained from different precursors. Using two independent approaches we show that treatment of SWAXS results should be performed with careful analysis of applicability of the Porod law to the sample under study. In general case of a pore with rough/corrugated surface deviations from the Porod law may became significant and reflect structure of the pore-carbon interface. Ignorance of these features may invalidate extraction of closed porosity values. In most cases the pore-matrix interface in the studied samples is not atomically sharp, but is characterized by 1D or 2D fluctuations of electronic density responsible for deviations from the Porod law. Intensity of the pores-related small-angle scattering correlates positively with SBET values obtained from N2 adsorption.

  5. Nanoporous active carbons at ambient conditions: a comparative study using X-ray scattering and diffraction, Raman spectroscopy and N2 adsorption

    International Nuclear Information System (INIS)

    Shiryaev, A A; Voloshchuk, A M; Averin, A A; Artamonova, S D.; Volkov, V V

    2017-01-01

    Furfural-derived sorbents and activated carbonaceous fibers were studied using Small- and Wide-angle X-ray scattering (SWAXS), X-ray diffraction and multiwavelength Raman spectroscopy after storage at ambient conditions. Correlations between structural features with degree of activation and with sorption parameters are observed for samples obtained from a common precursor and differing in duration of activation. However, the correlations are not necessarily applicable to the carbons obtained from different precursors. Using two independent approaches we show that treatment of SWAXS results should be performed with careful analysis of applicability of the Porod law to the sample under study. In general case of a pore with rough/corrugated surface deviations from the Porod law may became significant and reflect structure of the pore-carbon interface. Ignorance of these features may invalidate extraction of closed porosity values. In most cases the pore-matrix interface in the studied samples is not atomically sharp, but is characterized by 1D or 2D fluctuations of electronic density responsible for deviations from the Porod law. Intensity of the pores-related small-angle scattering correlates positively with S BET values obtained from N 2 adsorption. (paper)

  6. X-ray diffraction and chemical bonding

    International Nuclear Information System (INIS)

    Bats, J.W.

    1976-01-01

    Chemical bonds are investigated in sulfamic acid (H 3 N-SO 3 ), sodium sulfonlate dihydrate (H 2 NC 6 H 4 SO 3 Na.2H 2 O), 2,5-dimercaptothiadiazole (HS-C 2 N 2 S-SH), sodium cyanide dihydrate (NaCN.2H 2 O), sodium thiocyanate (NaSCN) and ammonium thiocyanate (NH 4 SCN) by X-ray diffraction, and if necessary completed with neutron diffraction. Crystal structures and electron densities are determined together with bond length and angles. Also the effects of thermal motion are discussed

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-08

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

  8. X-ray diffraction study of directionally grown perylene crystallites

    DEFF Research Database (Denmark)

    Breiby, Dag W.; Lemke, H. T.; Hammershøj, P.

    2008-01-01

    Using grazing incidence X-ray diffraction, perylene crystallites grown on thin highly oriented poly(tetrafluoroethylene) (PTFE) films on silicon substrates have been investigated. All the perylene crystallites are found to orient with the ab plane of the monoclinic unit cell parallel to the subst......Using grazing incidence X-ray diffraction, perylene crystallites grown on thin highly oriented poly(tetrafluoroethylene) (PTFE) films on silicon substrates have been investigated. All the perylene crystallites are found to orient with the ab plane of the monoclinic unit cell parallel...... to the substrate. The scattering data is interpreted as a trimodal texture of oriented perylene crystallites, induced by interactions between the perylene molecules and the oriented PTFE substrate. Three families of biaxial orientations are seen, with the axes (h = 1, 2, or 3) parallel to the PTFE alignment......, all having the ab-plane parallel to the substrate. About 92% of the scattered intensity corresponds to a population with highly parallel to (PTFE)....

  9. Characterization of explosives by x-ray diffraction and neutron scattering techniques: phase transformation study by synchrotron radiation XRD of forensically sourced ammonium nitrate pills

    International Nuclear Information System (INIS)

    Connor, B.O.; Blagojevic, N.

    2009-01-01

    Under direction of the Australian Department of Prime Minister and Cabinet ANSTO has commenced a three-year project with the title Characterisation of Explosives by XRD and Neutron Scattering Techniques. The initial focus is on Ammonium Nitrate (AN) based explosives with the intention to investigate all important energetic materials currently used in improvised explosives devices (IED) by various combative groups. The principal objective of the project is to use laboratory x-ray, synchrotron radiation (SR) and neutron scattering fingerprinting to establish associations between the diffraction pattern information and the manufacturing sources of AN and other energetic materials. Laboratory and SR experiments, at room temperature, of commercial AN show that the phase structure is principally AN-IV. Our earlier work observed other phases such as previously unreported transformation of AN-IV to AN-II, again at room temperature. Our interest is to also characterise added phase stabiliser material, solid-solution altered AN as well as desiccant and moisture barrier coatings. This prospect points strongly to the possibility of fingerprinting the materials for inferring source-association relations. The enhanced pattern definition achievable using powder SR diffraction is expected to improve the crystal structure characterisation of the materials. Other properties such as temperature dependent phase transformation and strain anisotropy as well as trace elemental impurities will provide information to further define association linkages. (Author)

  10. Small Angle X-Ray Scattering Detector

    Energy Technology Data Exchange (ETDEWEB)

    Hessler, Jan P.

    2004-06-15

    A detector for time-resolved small-angle x-ray scattering includes a nearly constant diameter, evacuated linear tube having an end plate detector with a first fluorescent screen and concentric rings of first fiber optic bundles for low angle scattering detection and an annular detector having a second fluorescent screen and second fiber optic bundles concentrically disposed about the tube for higher angle scattering detection. With the scattering source, i.e., the specimen under investigation, located outside of the evacuated tube on the tube's longitudinal axis, scattered x-rays are detected by the fiber optic bundles, to each of which is coupled a respective photodetector, to provide a measurement resolution, i.e., dq/q, where q is the momentum transferred from an incident x-ray to an x-ray scattering specimen, of 2% over two (2) orders of magnitude in reciprocal space, i.e., qmax/qmin approx=lO0.

  11. X-ray diffraction imaging of material microstructures

    KAUST Repository

    Varga, Laszlo

    2016-10-20

    Various examples are provided for x-ray imaging of the microstructure of materials. In one example, a system for non-destructive material testing includes an x-ray source configured to generate a beam spot on a test item; a grid detector configured to receive x- rays diffracted from the test object; and a computing device configured to determine a microstructure image based at least in part upon a diffraction pattern of the x-rays diffracted from the test object. In another example, a method for determining a microstructure of a material includes illuminating a beam spot on the material with a beam of incident x-rays; detecting, with a grid detector, x-rays diffracted from the material; and determining, by a computing device, a microstructure image based at least in part upon a diffraction pattern of the x-rays diffracted from the material.

  12. Discovery and development of x-ray diffraction

    Science.gov (United States)

    Jeong, Yeuncheol; Yin, Ming; Datta, Timir

    2013-03-01

    In 1912 Max Laue at University of Munich reasoned x-rays to be short wavelength electromagnetic waves and figured interference would occur when scattered off crystals. Arnold Sommerfeld, W. Wien, Ewald and others, raised objections to Laue's idea, but soon Walter Friedrich succeeded in recording x-ray interference patterns off copper sulfate crystals. But the Laue-Ewald's 3-dimensional formula predicted excess spots. Fewer spots were observed. William Lawrence Bragg then 22 year old studying at Cambridge University heard the Munich results from father William Henry Brag, physics professor at Univ of Leeds. Lawrence figured the spots are 2-d interference of x-ray wavelets reflecting off successive atomic planes and derived a simple eponymous equation, the Bragg equation d*sin(theta) = n*lamda. 1913 onward the Braggs dominated the crystallography. Max Laue was awarded the physics Nobel in 1914 and the Braggs shared the same in 1915. Starting with Rontgen's first ever prize in 1901, the importance of x-ray techniques is evident from the four out of a total 16 physics Nobels between 1901-1917. We will outline the historical back ground and importance of x-ray diffraction giving rise to techniques that even in 2013, remain work horses in laboratories all over the globe.

  13. A new theory for X-ray diffraction.

    Science.gov (United States)

    Fewster, Paul F

    2014-05-01

    This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the `Bragg position' even if the `Bragg condition' is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many `Bragg positions'. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on `Bragg-type' scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the `background'. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

  14. Diffracted X-ray tracking: new system for single molecular detection with X-rays

    CERN Document Server

    Sasaki, Y C; Adachi, S; Suzuki, Y; Yagi, N

    2001-01-01

    We propose a new X-ray methodology for direct observations of the behaviors of single molecular units in real time and real space. This new system, which we call Diffracted X-ray Tracking (DXT), monitors the Brownian motions of a single molecular unit by observations of X-ray diffracted spots from a nanocrystal, tightly bound to the individual single molecular unit in bio-systems. DXT does not determine any translational movements, but only orientational movements.

  15. Diffracted X-ray tracking: new system for single molecular detection with X-rays

    International Nuclear Information System (INIS)

    Sasaki, Y.C.; Okumura, Y.; Adachi, S.; Suzuki, Y.; Yagi, N.

    2001-01-01

    We propose a new X-ray methodology for direct observations of the behaviors of single molecular units in real time and real space. This new system, which we call Diffracted X-ray Tracking (DXT), monitors the Brownian motions of a single molecular unit by observations of X-ray diffracted spots from a nanocrystal, tightly bound to the individual single molecular unit in bio-systems. DXT does not determine any translational movements, but only orientational movements

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-15

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

  17. X-ray scattering of soft matter

    International Nuclear Information System (INIS)

    Stribeck, N.

    2007-01-01

    This coherently written volume summarizes the analytical power of modern X-ray scattering in the field of soft matter. Applications of X-ray scattering to soft matter have advanced considerably within recent years, both conceptually and technically. There are now mature high-power X-ray sources, synchrotrons and rotating anodes, as well as high-speed detectors, which have become readily available and which make the whole process more viable. High-quality time-resolved experiments on polymer structure can now be performed with ease, a major advancement due to the genuine power of the scattering method. This manual is a detailed description of simple tools that can elucidate the mechanisms of structure evolution in the studied materials. It is also a step-by-step guide to more advanced methods of the latest X-ray scattering techniques, and breaks down these methods. Data analysis based on clear, unequivocal results is rendered simple and straightforward - with a stress on the careful planning of experiments and adequate recording of all required data. This book, then, serves as a useful ready-reference guide. It has been written for the modern scientist who is a generalist and needs a concise reference, and demonstrates typical errors in data evaluation. (orig.)

  18. Brillouin scattering, DSC, dielectric and X-ray diffraction studies of phase transitions in antiferroelectric PbHfO{sub 3}:Sn

    Energy Technology Data Exchange (ETDEWEB)

    Mączka, Mirosław, E-mail: m.maczka@int.pan.wroc.pl [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Kim, Tae Hyun [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Gągor, Anna [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, P.O. Box 1410, 50-950 Wrocław 2 (Poland); Jankowska-Sumara, Irena [Institute of Physics, Pedagogical University, ul. Podchorążych 2, 30-084 Kraków (Poland); Majchrowski, Andrzej [Institute of Applied Physics, Military University of Technology, 2 Kaliskiego Str., 00-908 Warszawa (Poland); Kojima, Seiji [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan)

    2015-02-15

    Highlights: • Phase transition mechanisms were studied in antiferroelectric PbHf{sub 0.975}Sn{sub 0.025}O{sub 3.} • Acoustic phonons showed anomalies at 472 and 426 K due to phase transitions. • Brillouin data showed evidence for presence of polar clusters in paraelectric phase. • An order-disorder mechanism of the PE to AFE2 transition was proved. - Abstract: Specific heat, dielectric, powder X-ray diffraction and Brillouin scattering studies of phase transitions in antiferroelectric PbHf{sub 0.975}Sn{sub 0.025}O{sub 3} crystal were performed. The specific heat data revealed clear anomalies at T{sub 1} = 473.5 and T{sub 2} = 426.3 K on cooling, which could be attributed to onset of first order phase transitions from the paraelectric (PE) phase to an intermediate antiferroelectric phase (AFE2) and the AFE2 phase to another antiferroelectric phase (AFE1), respectively. The estimated entropy changes at T{sub 1} and T{sub 2} pointed to mainly an order-disorder and displacive character of these transitions, respectively. X-ray diffraction data showed a complex superstructure of the intermediate phase with a = 11.895(6) Å, b = 11.936(4) Å, c = 8.223(3) Å at 453 K. Brillouin studies revealed pronounced softening of longitudinal acoustic (LA) mode in the PE phase associated with its broadening. The broadening and softening exhibited maximum values at T{sub 1}. Additional acoustic anomalies, that is, abrupt frequency shifts for LA and transverse acoustic (TA) modes were also observed at T{sub 2}. Brillouin scattering data also showed presence of a broad central peak (CP) that exhibited highest intensity at T{sub 1}. The observed temperature dependences of acoustic modes and CP indicate order-disorder character of the FE to AFE2 phase transition and importance of polar precursor clusters in the PE phase. The obtained data also suggest that the intermediate antiferroelectric phases in Sn{sup 4+} doped PbHfO{sub 3} and PbZrO{sub 3} may have very similar structures

  19. Characterization by Raman scattering, x-ray diffraction, and transmission electron microscopy of (AlAs)m(InAs)m short period superlattices grown by migration enhanced epitaxy

    DEFF Research Database (Denmark)

    Bradshaw, J.; Song, X.J.; Shealy, J.R.

    1992-01-01

    We report growth of (InAs)1(AlAs)1 and (InAs)2(AlAs)2 strained layer superlattices by migration enhanced epitaxy. The samples were grown on InP (001) substrates and characterized by Raman spectroscopy, x-ray diffraction, and transmission electron microscopy. Satellite peaks in the x-ray data...... confirm the intended periodicity and indicate the presence of some disorder in the monolayer sample. The energies of the zone folded and quantum confined optic phonons are in reasonable agreement with calculations based on one-dimensional elastic continuum and linear chain models. Journal of Applied...

  20. Nano structured materials studied by coherent X-ray diffraction

    International Nuclear Information System (INIS)

    Gulden, Johannes

    2013-03-01

    Structure determination with X-rays in crystallography is a rapidly evolving field. Crystallographic methods for structure determination are based on the assumptions about the crystallinity of the sample. It is vital to understand the structure of possible defects in the crystal, because they can influence the structure determination. All conventional methods to characterize defects require a modelling through simulated data. No direct methods exist to image the core of defects in crystals. Here a new method is proposed, which will enable to visualize the individual scatterers around and at defects in crystals. The method is based on coherent X-ray scattering. X-rays are perfectly suited since they can penetrate thick samples and buried structures can be investigated Recent developments increased the coherent flux of X-Ray sources such as synchrotrons by orders of magnitude. As a result, the use of the coherent properties of X-rays is emerging as a new aspect of X-ray science. New upcoming and operating X-ray laser sources will accelerate this trend. One new method which has the capacity to recover structural information from the coherently scattered photons is Coherent X-ray Diffraction Imaging (CXDI). The main focus of this thesis is the investigation of the structure and the dynamics of colloidal crystals. Colloidal crystals can be used as a model for atomic crystals in order to understand the growth and defect structure. Despite the large interest in these structures, many details are still unknown.Therefore, it is vital to develop new approaches to measure the core of defects in colloidal crystals. After an introduction into the basics of the field of coherent X-ray scattering, this thesis introduces a novel method, Small Angle Bragg Coherent Diffractive Imaging, (SAB-CDI). This new measurement technique which besides the relevance to colloidal crystals can be applied to a large variety of nano structured materials. To verify the experimental possibilities the

  1. Nano structured materials studied by coherent X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Gulden, Johannes

    2013-03-15

    Structure determination with X-rays in crystallography is a rapidly evolving field. Crystallographic methods for structure determination are based on the assumptions about the crystallinity of the sample. It is vital to understand the structure of possible defects in the crystal, because they can influence the structure determination. All conventional methods to characterize defects require a modelling through simulated data. No direct methods exist to image the core of defects in crystals. Here a new method is proposed, which will enable to visualize the individual scatterers around and at defects in crystals. The method is based on coherent X-ray scattering. X-rays are perfectly suited since they can penetrate thick samples and buried structures can be investigated Recent developments increased the coherent flux of X-Ray sources such as synchrotrons by orders of magnitude. As a result, the use of the coherent properties of X-rays is emerging as a new aspect of X-ray science. New upcoming and operating X-ray laser sources will accelerate this trend. One new method which has the capacity to recover structural information from the coherently scattered photons is Coherent X-ray Diffraction Imaging (CXDI). The main focus of this thesis is the investigation of the structure and the dynamics of colloidal crystals. Colloidal crystals can be used as a model for atomic crystals in order to understand the growth and defect structure. Despite the large interest in these structures, many details are still unknown.Therefore, it is vital to develop new approaches to measure the core of defects in colloidal crystals. After an introduction into the basics of the field of coherent X-ray scattering, this thesis introduces a novel method, Small Angle Bragg Coherent Diffractive Imaging, (SAB-CDI). This new measurement technique which besides the relevance to colloidal crystals can be applied to a large variety of nano structured materials. To verify the experimental possibilities the

  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

    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.

  3. X-ray scatter removal by deconvolution

    International Nuclear Information System (INIS)

    Seibert, J.A.; Boone, J.M.

    1988-01-01

    The distribution of scattered x rays detected in a two-dimensional projection radiograph at diagnostic x-ray energies is measured as a function of field size and object thickness at a fixed x-ray potential and air gap. An image intensifier-TV based imaging system is used for image acquisition, manipulation, and analysis. A scatter point spread function (PSF) with an assumed linear, spatially invariant response is modeled as a modified Gaussian distribution, and is characterized by two parameters describing the width of the distribution and the fraction of scattered events detected. The PSF parameters are determined from analysis of images obtained with radio-opaque lead disks centrally placed on the source side of a homogeneous phantom. Analytical methods are used to convert the PSF into the frequency domain. Numerical inversion provides an inverse filter that operates on frequency transformed, scatter degraded images. Resultant inverse transformed images demonstrate the nonarbitrary removal of scatter, increased radiographic contrast, and improved quantitative accuracy. The use of the deconvolution method appears to be clinically applicable to a variety of digital projection images

  4. Serial femtosecond X-ray diffraction of enveloped virus microcrystals

    Directory of Open Access Journals (Sweden)

    Robert M. Lawrence

    2015-07-01

    Full Text Available Serial femtosecond crystallography (SFX using X-ray free-electron lasers has produced high-resolution, room temperature, time-resolved protein structures. We report preliminary SFX of Sindbis virus, an enveloped icosahedral RNA virus with ∼700 Å diameter. Microcrystals delivered in viscous agarose medium diffracted to ∼40 Å resolution. Small-angle diffuse X-ray scattering overlaid Bragg peaks and analysis suggests this results from molecular transforms of individual particles. Viral proteins undergo structural changes during entry and infection, which could, in principle, be studied with SFX. This is an important step toward determining room temperature structures from virus microcrystals that may enable time-resolved studies of enveloped viruses.

  5. Versatile application of indirect Fourier transformation to structure factor analysis: from X-ray diffraction of molecular liquids to small angle scattering of protein solutions.

    Science.gov (United States)

    Fukasawa, Toshiko; Sato, Takaaki

    2011-02-28

    We highlight versatile applicability of a structure-factor indirect Fourier transformation (IFT) technique, hereafter called SQ-IFT. The original IFT aims at the pair distance distribution function, p(r), of colloidal particles from small angle scattering of X-rays (SAXS) and neutrons (SANS), allowing the conversion of the experimental form factor, P(q), into a more intuitive real-space spatial autocorrelation function. Instead, SQ-IFT is an interaction potential model-free approach to the 'effective' or 'experimental' structure factor to yield the pair correlation functions (PCFs), g(r), of colloidal dispersions like globular protein solutions for small-angle scattering data as well as the radial distribution functions (RDFs) of molecular liquids in liquid diffraction (LD) experiments. We show that SQ-IFT yields accurate RDFs of liquid H(2)O and monohydric alcohol reflecting their local intermolecular structures, in which q-weighted structure function, qH(q), conventionally utilized in many LD studies out of necessity of performing direct Fourier transformation, is no longer required. We also show that SQ-IFT applied to theoretically calculated structure factors for uncharged and charged colloidal dispersions almost perfectly reproduces g(r) obtained as a solution of the Ornstein-Zernike (OZ) equation. We further demonstrate the relevance of SQ-IFT in its practical applications, using SANS effective structure factors of lysozyme solutions reported in recent literatures which revealed the equilibrium cluster formation due to coexisting long range electrostatic repulsion and short range attraction between the proteins. Finally, we present SAXS experiments on human serum albumin (HSA) at different ionic strength and protein concentration, in which we discuss the real space picture of spatial distributions of the proteins via the interaction potential model-free route.

  6. A high resolution position sensitive X-ray MWPC for small angle X-ray diffraction

    International Nuclear Information System (INIS)

    Bateman, J.E.; Connolly, J.F.; Stephenson, R.; Tappern, G.J.

    1981-02-01

    A small sealed-off delay line readout MWPC X-ray detector has been designed and built for small angle X-ray diffraction applications. Featuring a sensitive area of 100 mm x 25 mm it yields a spatial resolution of 0.13 mm (standard deviation) with a high rate capability and good quantum efficiency for copper K radiation. (author)

  7. 100 years of discovery of X-ray diffraction

    International Nuclear Information System (INIS)

    Zhang Tao

    2012-01-01

    X-ray diffraction was discovered by Max von Laue a hundred years ago. Later, through the work of William H. Bragg and William L. Bragg, an experimental analysis method was developed to solve the structure of molecules at the atomic level. Over the past hundred years, science and technology has been dramatically changed by X-ray diffraction analysis, which has also undergone considerable development. The recent emergence of hard X-ray free electron lasers has provided a new dimension for X-ray diffraction analysis, promising even greater progress in the fields of physics, chemistry and biology. (author)

  8. Preliminary Examination of X-ray Scattering from Human Tissues

    International Nuclear Information System (INIS)

    Desouky, O.S.; Wilkinson, S.; Hall, C.; Rogers, K.; Round, A.

    2008-01-01

    Small Angle x-ray scattering (SAXS) and wide angle x-ray scattering (WAXS) patterns have been recorded from different human soft tissues using x-ray synchrotron radiation.Pathological breast, normal kidney and lung tissues show SAXS peaks at q-values equal to 0.291 nm -1 and 0.481 nm -1 (d 21.6 nm and d =13. nm) which are the 3 r d and 5 t h order of the well known axial D-spacing of collagen fibrils. The diffraction is particularly intense in the meridional direction indicating some febrile alignment. In contrast, the normal tissue of brain, liver and heart shows diffuse scatter.The wide-angle coherent scattering from normal human tissues of brain, liver, heart, lung, and kidney is typical of that for amorphous materials. The scatter of the healthy adipose breast tissue shows a sharp peak at momentum transfer 1.24 nm -1 (d= 0.417 nm). The data of the other tissues appears to consist of a broad scattering peak. The two scattering regimes succeed in differentiating between the two major components of breast tissue, collagen and adipose tissue. The results of this study suggest that the soft tissues may have scattering patterns that are characteristics for the particular tissue types and tissue disease state. These results indicate that it may be possible use the coherent scattering as a diagnostic tool

  9. Synchrotron X-ray diffraction using triple-axis spectrometry

    International Nuclear Information System (INIS)

    Als-Nielsen, J.

    1980-12-01

    High resolution X-ray diffraction studies of (i) monolayers of the noble gases Kr and Ar physiosorbed on graphite (ii) smectic A fluctuations in the nematic and the smectic A phases of liquid crystals are described. The apparatus used is a triple axis spectrometer situated at the storage ring DORIS at Hasylab, DESY, Hamburg. A monochromatic, well collimated beam is extracted from the synchrotron radiation spectrum by Bragg reflection from perfect Si or Ge crystals. The direction of the beam scattered from the sample is determined by Bragg reflection from a perfect Si or Ge crystal. High intensities even with resolution extending beyond the wavelength of visible light can be obtained. (Auth.)

  10. Healing X-ray scattering images

    Directory of Open Access Journals (Sweden)

    Jiliang Liu

    2017-07-01

    Full Text Available X-ray scattering images contain numerous gaps and defects arising from detector limitations and experimental configuration. We present a method to heal X-ray scattering images, filling gaps in the data and removing defects in a physically meaningful manner. Unlike generic inpainting methods, this method is closely tuned to the expected structure of reciprocal-space data. In particular, we exploit statistical tests and symmetry analysis to identify the structure of an image; we then copy, average and interpolate measured data into gaps in a way that respects the identified structure and symmetry. Importantly, the underlying analysis methods provide useful characterization of structures present in the image, including the identification of diffuse versus sharp features, anisotropy and symmetry. The presented method leverages known characteristics of reciprocal space, enabling physically reasonable reconstruction even with large image gaps. The method will correspondingly fail for images that violate these underlying assumptions. The method assumes point symmetry and is thus applicable to small-angle X-ray scattering (SAXS data, but only to a subset of wide-angle data. Our method succeeds in filling gaps and healing defects in experimental images, including extending data beyond the original detector borders.

  11. Resonant x-ray Raman scattering from atoms and molecules

    International Nuclear Information System (INIS)

    Cowan, P.L.

    1992-01-01

    Inelastic x-ray scattering and elastic x-ray scattering are fundamentally related processes. When the x-ray photon energy is near the ionization threshold for an inner shell, the inelastic channel is dominated by resonant x-ray Raman scattering. Studies of this emission not only illuminate the resonant scattering process in general, they also point to new opportunities for spectral studies of electronic structure using x-rays. Atoms in the form of a free gas provide an ideal target for testing the current theoretical understanding of resonant x-ray Raman scattering. In addition, x-ray scattering from molecular gases demonstrates the effect of bonding symmetry on the polarization and angular distribution of the scattered x-rays. Comparisons of experimental data with theory demonstrate both the successes and limitations of simple, single-electron interpretations of the scattering process

  12. On the theory of time-resolved x-ray diffraction

    DEFF Research Database (Denmark)

    Henriksen, Niels Engholm; Møller, Klaus Braagaard

    2008-01-01

    We derive the basic theoretical formulation for X-ray diffraction with pulsed fields, using a fully quantized description of light and matter. Relevant time scales are discussed for coherent as well as incoherent X-ray pulses, and we provide expressions to be used for calculation...... of the experimental diffraction signal for both types of X-ray sources. We present a simple analysis of time-resolved X-ray scattering for direct bond breaking in diatomic molecules. This essentially analytical approach highlights the relation between the signal and the time-dependent quantum distribution...

  13. Characterization of Metalloproteins and Biomaterials by X-ray Absorption Spectroscopy and X-ray Diffraction

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl

    This thesis presents thework on combining complementary X-rays techniques for studying the structures of proteins and other biomaterials, and consists of three different projects: (i) Characterization of protein powders with X-ray powder diffraction (XRPD). (ii) The combination of X-ray...... crystallography and X-ray absorption spectroscopy (XAS) applied to studying different hexameric insulin conformations. (iii) The structures of polymorphs of strontium ranelate and the distribution of strontium in bone tissue. A procedure for fast identification and verification of protein powders using XRPD...... was correction for disordered bulk-solvent, but also correction for background and optimization of unit cell parameters have to be taken into account. A sample holder was designed for collecting powder diffraction data on a standard laboratory X-ray powder diffractometer. The background was reduced by use...

  14. X-ray scatter signatures for enhanced breast imaging

    Energy Technology Data Exchange (ETDEWEB)

    Kidane, Ghirmay; Speller, Robert; Royle, Gary [Medical Physics and Bioengineering Department, University College Landon, 11-20 Capper Street, London WC1E 6JA (United Kingdom)

    1999-12-31

    Conventional mammographic imaging suffers from a low specificity. The main cause is the small difference in the x-ray attenuation properties of healthy and diseased tissue leading to poor contrast in the image. It has been observed that additional information on breast tissue type can be obtained from x-ray diffraction effects. A study of excised normal and neoplastic breast tissue samples using x-ray diffraction apparatus has been observed that significant differences exist in the measured spectra between carcinoma and healthy tissue adjacent to the carcinoma. Such a difference allows tissue type to be characterised according to is diseased state. Furthermore the information can be applied to improve diagnosis. It is proposed that collection and analysis of the scattered x-rays present during a mammographic procedure can supply the additional information and be used to improve the image contrast. The ultimate aim of the project is to improve the specificity of x-ray mammography. (authors) 10 refs., 3 figs.

  15. Thin film characterisation by advanced X-ray diffraction techniques

    International Nuclear Information System (INIS)

    Cappuccio, G.; Terranova, M.L.

    1996-09-01

    The Fifth School on X-ray diffraction from polycrystalline materials was devoted to thin film characterization by advanced X-ray diffraction techniques. Twenty contributions are contained in this volume; all twenty are recorded in the INIS Database. X-ray diffraction is known to be a powerful analytical tool for characterizing materials and understanding their structural features. The aim of these articles is to illustrate the fundamental contribution of modern diffraction techniques (grazing incidence, surface analysis, standing waves, etc.) to the characterization of thin and ultra-thin films, which have become important in many advanced technologies

  16. Coherent methods in X-ray scattering

    International Nuclear Information System (INIS)

    Gorobtsov, Oleg

    2017-05-01

    X-ray radiation has been used to study structural properties of materials for more than a hundred years. Construction of extremely coherent and bright X-ray radiation sources such as free electron lasers (FELs) and latest generationstorage rings led to rapid development of experimental methods relying on high radiation coherence. These methods allow to perform revolutionary studies in a wide range of fields from solid state physics to biology. In this thesis I focus on several important problems connected with the coherent methods. The first part considers applications of dynamical diffraction theory on crystals to studies with coherent X-ray radiation. It presents the design of a high-resolution spectrometer for free electron lasers that should allow to resolve spectral structure of individual FEL pulses. The spectrometer is based on the principle of dynamical diffraction focusing. The knowledge of individual FEL pulse spectra is necessary for understanding FEL longitudinal coherence. In the same part I present quasi-kinematical approximation to dynamical theory which allows to treat analytically phase effects observed in X-ray coherent imaging on nanocrystals. These effects may play a big role when methods such as ptychography are used to study crystalline samples. The second part deals with measurements of FEL coherence properties using intensity - intensity interferometry. Results of several experiments performed at FELs FLASH and LCLS are revealed in this section. I have developed models and theories to explain the behavior observed in experiments on FLASH. These models allowed to extract information about external positional jitter of FEL pulses and secondary beams present in FEL radiation. In the LCLS experiment the Hanbury Brown and Twiss type interferometry was performed on Bragg peaks from colloidal crystal. This did not require additional measurements without the sample and information was extracted directly from diffraction patterns. Therefore intensity

  17. Coherent methods in X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gorobtsov, Oleg

    2017-05-15

    X-ray radiation has been used to study structural properties of materials for more than a hundred years. Construction of extremely coherent and bright X-ray radiation sources such as free electron lasers (FELs) and latest generationstorage rings led to rapid development of experimental methods relying on high radiation coherence. These methods allow to perform revolutionary studies in a wide range of fields from solid state physics to biology. In this thesis I focus on several important problems connected with the coherent methods. The first part considers applications of dynamical diffraction theory on crystals to studies with coherent X-ray radiation. It presents the design of a high-resolution spectrometer for free electron lasers that should allow to resolve spectral structure of individual FEL pulses. The spectrometer is based on the principle of dynamical diffraction focusing. The knowledge of individual FEL pulse spectra is necessary for understanding FEL longitudinal coherence. In the same part I present quasi-kinematical approximation to dynamical theory which allows to treat analytically phase effects observed in X-ray coherent imaging on nanocrystals. These effects may play a big role when methods such as ptychography are used to study crystalline samples. The second part deals with measurements of FEL coherence properties using intensity - intensity interferometry. Results of several experiments performed at FELs FLASH and LCLS are revealed in this section. I have developed models and theories to explain the behavior observed in experiments on FLASH. These models allowed to extract information about external positional jitter of FEL pulses and secondary beams present in FEL radiation. In the LCLS experiment the Hanbury Brown and Twiss type interferometry was performed on Bragg peaks from colloidal crystal. This did not require additional measurements without the sample and information was extracted directly from diffraction patterns. Therefore intensity

  18. Characterization of Brazilian asphalt using X-ray diffraction

    International Nuclear Information System (INIS)

    Cardoso, Edson R.; Pinto, Nivia G.V.; Almeida, Ana P.G.; Braz, Delson; Lopes, Ricardo T.; Barroso, Regina C.; Motta, Laura M.G.

    2007-01-01

    Asphalt is a sticky, black and highly viscous liquid or semi-solid that is presented in most crude petroleum and in some natural deposits. The X ray diffraction can give valuable information over the characteristics of a material. Thus, the X-ray diffraction (XRD) method was employed to investigate parameters that characterize and differentiate asphalt groups (Boscan, CAP20, CAP40, CAP50/60, CAP50/70 and CAP85/100). The scattering measurements were carried out in θ-2θ reflection geometry using a powder diffractometer Shimadzu XRD-6000 at the Nuclear Instrumentation Laboratory, Brazil. Scans were typically done from 8 deg to 28 deg every 0.05. The parameters analyzed were: FWHM, peak area, peak center, peak height, left half width and right half width. Thus, in this study, scattering profiles from different asphalt groups were carefully measured in order to establish characteristic signatures of these materials. The results indicate that by using three parameters (peak centroid, peak area and peak intensity) it is possible to characterize and differentiate the asphalt. (author)

  19. 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-ray

  20. A summary of the low angle x-ray atomic scattering factors which have been measured by the critical voltage effect in High Energy Electron Diffraction (HEED)

    International Nuclear Information System (INIS)

    Fox, A.G.; Fisher, R.M.

    1987-08-01

    A tabulated summary of all the accurate (/approximately/0.1%) low-angle x-ray atomic scattering (form) factors which have been determined by the systematic critical voltage technique in HEED is presented. For low atomic number elements (Z/approx lt/40) the low angle form factors can be significantly different to best free atom values, and so the best band structure calculated and/or x-ray measured form factors consistent with the critical voltage measurements are also indicated. At intermediate atomic numbers Z≅40→50 only the very low-angle form factors appear to be different to the best free atom values, and even then only by a small amount. For heavy elements (Z/approx lt/70) the best free atom form factors appear to agree very closely with the critical voltage measured values and so, in this case, critical voltage measurements give very accurate measurements of Debye-Waller factors. 48 refs

  1. Historical development of synchrotron x-ray diffraction topography

    International Nuclear Information System (INIS)

    Kawado, Seiji

    2011-01-01

    After a short history of X-ray diffraction topography, from the early stage of laboratory X-ray topography to recent synchrotron-radiation applications, is described, the development of science and technology for the synchrotron X-ray topography and its industrial applications are reviewed in more detail. In addition, the recent trend to synchrotron topography research is clarified on the basis of several data obtained from 256 papers which have been published since 2000. (author)

  2. Diffraction peaks in x-ray spectroscopy: Friend or foe?

    International Nuclear Information System (INIS)

    Tissot, R.G.; Goehner, R.P.

    1992-01-01

    Diffraction peaks can occur as unidentifiable peaks in the energy spectrum of an x-ray spectrometric analysis. Recently, there has been increased interest in oriented polycrystalline films and epitaxial films on single crystal substrates for electronic applications. Since these materials diffract x-rays more efficiently than randomly oriented polycrystalline materials, diffraction peaks are being observed more frequently in x-ray fluorescent spectra. In addition, micro x-ray spectrometric analysis utilizes a small, intense, collimated x-ray beam that can yield well defined diffraction peaks. In some cases these diffraction peaks can occur at the same position as elemental peaks. These diffraction peaks, although a possible problem in qualitative and quantitative elemental analysis, can give very useful information about the crystallographic structure and orientation of the material being analyzed. The observed diffraction peaks are dependent on the geometry of the x-ray spectrometer, the degree of collimation and the distribution of wavelengths (energies) originating from the x-ray tube and striking the sample

  3. Extended X-ray absorption fine structure and X-ray diffraction studies on supported Ni catalysts

    International Nuclear Information System (INIS)

    Aldea, N.; Marginean, P.; Yaning, Xie; Tiandou, Hu; Tao, Liu; Wu, Zhongua; ZhenYa, Dai

    1999-01-01

    In the first part of this paper, we present a study based on EXAFS spectroscopy. This method can yield structural information about the local environment around a specific atomic constituent in the amorphous materials, the location and chemical state of any catalytic atom on any support or point defect structures, in alloys and composites. EXAFS is a specific technique of the scattering of X-ray on materials. The present study is aimed toward elucidation of the local structure of Ni atoms and their interaction with oxide support. The second goal of the paper consists in X-ray diffraction on the same samples. X-ray diffraction method that is capable to determine average particle size, microstrains, probability of faults as well as particle size distribution function of supported Ni catalysts is presented. The method is based on the Fourier analysis of a single X-Ray diffraction profile. The results obtained on supported nickel catalysts, which are used in H/D isotopic exchange reactions are reported. The global structure is obtained with a new fitting method based on the Generalised Fermi Function facilities for approximation and Fourier transform of the experimental X-Ray line profiles. Both types of measurements were performed on Beijing Synchrotron Radiation Facilities (BSRF). (authors)

  4. Simulating X-ray diffraction of textured films

    DEFF Research Database (Denmark)

    Breiby, Dag W.; Bunk, Oliver; Andreasen, Jens Wenzel

    2008-01-01

    Computationally efficient simulations of grazing-incidence X-ray diffraction (GIXD) are discussed, with particular attention given to textured thin polycrystalline films on supporting substrates. A computer program has been developed for simulating scattering from thin films exhibiting varying...... degrees of preferred orientation. One emphasized common case is that of a 'fibre' symmetry axis perpendicular to the sample plane, resulting from crystallites having one well defined crystal facet towards the substrate, but no preferred inplane orientation. Peak splitting caused by additional scattering......, the mathematically simplest possible descriptions are sought whenever feasible. The practical use of the program is demonstrated for a selected thin-film example, perylene, which is of relevance for organic electronics....

  5. Diffractive sub-picosecond manipulation of x-rays

    International Nuclear Information System (INIS)

    Adams, B.

    2004-01-01

    A class of X-ray optical elements for the sub-picosecond manipulation of X-rays is proposed. The design of these elements is based upon a time-dependent dynamical diffraction theory that synthesizes the eikonal theory with the Takagi-Taupin theory. A brief outline of the theory is given

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

    DEFF Research Database (Denmark)

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

    1988-01-01

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

  7. 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

  8. Resonant magnetic scattering of polarized soft x rays

    Energy Technology Data Exchange (ETDEWEB)

    Sacchi, M. [Centre Universitaire Paris-Sud, Orsay (France); Hague, C.F. [Universite Pierre et Marie Curie, Paris (France); Gullikson, E.M.; Underwood, J. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    Magnetic effects on X-ray scattering (Bragg diffraction, specular reflectivity or diffuse scattering) are a well known phenomenon, and they also represent a powerful tool for investigating magnetic materials since it was shown that they are strongly enhanced when the photon energy is tuned across an absorption edge (resonant process). The resonant enhancement of the magnetic scattering has mainly been investigated at high photon energies, in order to match the Bragg law for the typical lattice spacings of crystals. In the soft X-ray range, even larger effects are expected, working for instance at the 2p edges of transition metals of the first row or at the 3d edges of rare earths (300-1500 eV), but the corresponding long wavelengths prevent the use of single crystals. Two approaches have been recently adopted in this energy range: (i) the study of the Bragg diffraction from artificial structures of appropriate 2d spacing; (ii) the analysis of the specular reflectivity, which contains analogous information but has no constraints related to the lattice spacing. Both approaches have their own specific advantages: for instance, working under Bragg conditions provides information about the (magnetic) periodicity in ordered structures, while resonant reflectivity can easily be related to electronic properties and absorption spectra. An important aspect common to all the resonant X-ray scattering techniques is the element selectivity inherent to the fact of working at a specific absorption edge: under these conditions, X-ray scattering becomes in fact a spectroscopy. Results are presented for films of iron and cobalt.

  9. Single shot diffraction of picosecond 8.7-keV x-ray pulses

    Directory of Open Access Journals (Sweden)

    F. H. O’Shea

    2012-02-01

    Full Text Available We demonstrate multiphoton, single shot diffraction images of x rays produced by inverse Compton scattering a high-power CO_{2} laser from a relativistic electron beam, creating a pulse of 8.7 keV x rays. The tightly focused, relatively high peak brightness electron beam and high photon density from the 2 J CO_{2} laser yielded 6×10^{7} x-ray photons over the full opening angle in a single shot. Single shot x-ray diffraction is performed by passing the x rays though a vertical slit and on to a flat silicon (111 crystal. 10^{2} diffracted photons were detected. The spectrum of the detected x rays is compared to simulation. The diffraction and detection of 10^{2} x rays is a key step to a more efficient time resolved diagnostic in which the number of observed x rays might reach 10^{4}; enabling a unique, flexible x-ray source as a sub-ps resolution diagnostic for studying the evolution of chemical reactions, lattice deformation and melting, and magnetism.

  10. Diffuse scattering of neutrons and X-rays

    International Nuclear Information System (INIS)

    Novion, C.H. de

    1978-01-01

    Diffuse scattering is used to study defect concentrations of about 10 -4 in the case of X-rays and 10 -3 in the case of neutrons. The foundations of diffuse scattering formalism are given, some experimental devices described and a few applications discussed: study by diffraction on powders of defects in CeOsub(2-x); short-range order study by X-rays on Cusub(0.75) Ausub(0.25); short-range order study by neutrons on Cusub(0.435)Nisub(0.565); short-range order study by electrons TiOx; study of irradiation-induced self-interstitials in Al; study of holes created by neutrons in Al [fr

  11. A differential scanning calorimetric and X-ray diffraction

    Indian Academy of Sciences (India)

    X-ray diffraction analysis of the two groups demonstrated predominance of austenitic ... Discrete crystallographic structure and absence of multiple phases showed ... Division of Orthodontics, Indian Army, 10 Corps Dental Unit, C/O 56 APO, ...

  12. Thin film characterisation by advanced X-ray diffraction techniques

    Energy Technology Data Exchange (ETDEWEB)

    Cappuccio, G; Terranova, M L [eds.; INFN, Laboratori Nazionali di Frascati, Rome (Italy)

    1996-09-01

    This report described the papers presented at the 5. School on X-ray diffraction from polycrystalline materials held at Frascati (Rome) in 2-5 October 1996. A separate abstract was prepared for each of the papers.

  13. X-ray diffraction analysis of InAs nanowires

    International Nuclear Information System (INIS)

    Davydok, Anton

    2013-01-01

    Si substrate. MBE provides the opportunity to combine a group III-V material with nearly any semiconductor substrate independent from lattice mismatch. Vertically aligned nanowire ensembles were studied performing X-ray diffraction experiments in different scattering geometries. Considering the nanowires are composed by structural units of zinc-blende and wurtzite the latter one was found to be affected by a high density of stacking faults already at nanowires with short growth time. The stacking faults density was estimated by Monte-Carlo simulations based on model of ensemble average. A strong signal of unique zinc-blende reflection was observed as well. Coherent X-ray diffraction experiments with the use of a nano-focus setup have shown 'bar-code' patterning due to stacking fault arrangement within the nanowire. The found highly defective structure cannot be attributed to wurtzite or zinc-blende phases alone. Also parasitic islands were found on the samples surfaces and characterized as pure zinc-blende objects.

  14. Observing Solvation Dynamics with Simultaneous Femtosecond X-ray Emission Spectroscopy and X-ray Scattering

    DEFF Research Database (Denmark)

    Haldrup, Kristoffer; Gawelda, Wojciech; Abela, Rafael

    2016-01-01

    and structural changes, and local solvent structural changes are desired. We have studied the intra- and intermolecular dynamics of a model chromophore, aqueous [Fe(bpy)3]2+, with complementary X-ray tools in a single experiment exploiting intense XFEL radiation as a probe. We monitored the ultrafast structural...... rearrangement of the solute with X-ray emission spectroscopy, thus establishing time zero for the ensuing X-ray diffuse scattering analysis. The simultaneously recorded X-ray diffuse scattering atterns reveal slower subpicosecond dynamics triggered by the intramolecular structural dynamics of the photoexcited...

  15. Dynamical X-ray scattering from the relaxed structures

    International Nuclear Information System (INIS)

    Benediktovitch, A.; Feranchuk, I.; Ulyanenkov, A.

    2009-01-01

    High-resolution X-ray diffraction is now widely used analytical tool for investigation of nano scale multilayered structures in semiconductor and optical technologies. The HRXRD method delivers unique information on the crystallographic lattice of the samples, concentration of solid solutions, lattice mismatches, layer thicknesses, defect distribution, and relaxation degree of the epitaxial layers. The evaluation of the experimental results, however, requires a robust and precise theory due to complex dynamical scattering of X-rays from near perfect crystallographic structure of the samples. Usually, the Takagi-Taupin approach [1] or the recurrent matrix methods [2] are used for the simulation of the X-ray diffraction profiles from the epitaxial multilayered structures. The use of these theories, however, becomes essentially difficult, when the lateral lattice mismatches are present in multilayers, for example, in the case of partially or fully relaxed epitaxially grown samples. In the present work, the general solution of this problem is found analytically. The angular divergence of the incident beam is also considered and the algorithm for the diffracted profile mapping in the reciprocal space is developed. The experimental reciprocal space mapping of typical AlGaN/GaN/AlN samples with partially relaxed layers is compared to the simulated maps, which describe well the location and character of the diffraction spots caused by different layers. (author)

  16. Synchrotron x-ray diffraction study of liquid surfaces

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Pershan, P.S.

    1983-01-01

    A spectrometer for X-ray diffraction and refraction studies of horizontal, free surfaces of liquids is described. As an illustration smetic-A layering at the surface of a liquid crystal is presented.......A spectrometer for X-ray diffraction and refraction studies of horizontal, free surfaces of liquids is described. As an illustration smetic-A layering at the surface of a liquid crystal is presented....

  17. X-ray diffraction identification of clay minerals by microcomputer

    International Nuclear Information System (INIS)

    Rodrigues, S.; Imasava, F.J.

    1988-01-01

    The identification of clay minerals by X-ray powder diffraction are done by searching an unknown pattern with a file of standard X-ray diffraction patterns. For this searching done by hand is necessary a long time. This paper shows a program in ''Basic'' language to be utilized in microcomputers for the math of the unknown pattern, using the high velocity of comparison of the microcomputer. A few minutes are used for the match. (author) [pt

  18. High-energy X-ray diffraction studies of disordered materials

    International Nuclear Information System (INIS)

    Kohara, Shinji; Suzuya, Kentaro

    2003-01-01

    With the arrival of the latest generation of synchrotron sources and the introduction of advanced insertion devices (wigglers and undulators), the high-energy (E≥50 keV) X-ray diffraction technique has become feasible, leading to new approaches in the quantitative study of the structure of disordered materials. High-energy X-ray diffraction has several advantages: higher resolution in real space due to a wide range of scattering vector Q, smaller correction terms (especially the absorption correction), reduction of truncation errors, the feasibility of running under extreme environments, including high-temperatures and high-pressures, and the ability to make direct comparisons between X-ray and neutron diffraction data. Recently, high-energy X-ray diffraction data have been combined with neutron diffraction data from a pulsed source to provide more detailed and reliable structural information than that hitherto available

  19. Soft X-ray radiation damage in EM-CCDs used for Resonant Inelastic X-ray Scattering

    Science.gov (United States)

    Gopinath, D.; Soman, M.; Holland, A.; Keelan, J.; Hall, D.; Holland, K.; Colebrook, D.

    2018-02-01

    Advancement in synchrotron and free electron laser facilities means that X-ray beams with higher intensity than ever before are being created. The high brilliance of the X-ray beam, as well as the ability to use a range of X-ray energies, means that they can be used in a wide range of applications. One such application is Resonant Inelastic X-ray Scattering (RIXS). RIXS uses the intense and tuneable X-ray beams in order to investigate the electronic structure of materials. The photons are focused onto a sample material and the scattered X-ray beam is diffracted off a high resolution grating to disperse the X-ray energies onto a position sensitive detector. Whilst several factors affect the total system energy resolution, the performance of RIXS experiments can be limited by the spatial resolution of the detector used. Electron-Multiplying CCDs (EM-CCDs) at high gain in combination with centroiding of the photon charge cloud across several detector pixels can lead to sub-pixel spatial resolution of 2-3 μm. X-ray radiation can cause damage to CCDs through ionisation damage resulting in increases in dark current and/or a shift in flat band voltage. Understanding the effect of radiation damage on EM-CCDs is important in order to predict lifetime as well as the change in performance over time. Two CCD-97s were taken to PTB at BESSY II and irradiated with large doses of soft X-rays in order to probe the front and back surfaces of the device. The dark current was shown to decay over time with two different exponential components to it. This paper will discuss the use of EM-CCDs for readout of RIXS spectrometers, and limitations on spatial resolution, together with any limitations on instrument use which may arise from X-ray-induced radiation damage.

  20. CCD-based X-ray detectors for X-ray diffraction studies

    International Nuclear Information System (INIS)

    Ito, K.; Amemiya, Y.

    1999-01-01

    CCD-based X-ray detectors are getting to be used for X-ray diffraction studies especially in the studies where real time (automated) measurements and time-resolved measurements are required. Principles and designs of two typical types of CCD-based detectors are described; one is ths system in which x-ray image intensifiers are coupled to maximize the detective quantum efficiency for time-resolved measurements, and the other is the system in which tapered optical fibers are coupled for the reduction of the image into the CCD, which is optimized for automated measurements for protein crystallography. These CCD-based X-ray detectors have an image distortion and non-uniformity of response to be corrected by software. Correction schemes which we have developed are also described. (author)

  1. X-ray scattering from thin organic films and multilayer

    International Nuclear Information System (INIS)

    Pietsch, U.; Barberka, T. A.; Geue, Th.; Stoemmer, R.

    1997-01-01

    The real structure of LB-multilayers prepared with fatty-acid salts is dominated by finite-sized scattering aggregates. Their different length scales become visible using AFM. It shows that not the whole substrate is wetted by the film. The molecular order is restricted into domains. These micrometer domains are not homogeneous. They contain mesoscopic subdomains of different heights which vary in steps of double layers. Finally high-resolution AFM-maps display a nearly hexagonal arrangement of molecules within subgrains with a diameter of several 10 nm. This domain structure has to be taken into account when interpreting X-ray diffraction data. The size of the crystalline aggregates is obtained by means of X-ray grazing incidence diffraction. On the mesoscopic scale the domain size is determined by X-ray diffuse scattering experiments. Because Sinha's model fails for the present kind of multilayers, they used another approach for data analysis. The lateral correlation length caused by height fluctuations is estimated without knowledge of a definite correlation function. Additionally the mosaicity of the domain orientation can be taken into account

  2. Copper doped TiO2 nanoparticles characterized by X-ray absorption spectroscopy, total scattering, and powder diffraction--a benchmark structure-property study.

    Science.gov (United States)

    Lock, Nina; Jensen, Ellen M L; Mi, Jianli; Mamakhel, Aref; Norén, Katarina; Qingbo, Meng; Iversen, Bo B

    2013-07-14

    Metal functionalized nanoparticles potentially have improved properties e.g. in catalytic applications, but their precise structures are often very challenging to determine. Here we report a structural benchmark study based on tetragonal anatase TiO2 nanoparticles containing 0-2 wt% copper. The particles were synthesized by continuous flow synthesis under supercritical water-isopropanol conditions. Size determination using synchrotron PXRD, TEM, and X-ray total scattering reveals 5-7 nm monodisperse particles. The precise dopant structure and thermal stability of the highly crystalline powders were characterized by X-ray absorption spectroscopy and multi-temperature synchrotron PXRD (300-1000 K). The combined evidence reveals that copper is present as a dopant on the particle surfaces, most likely in an amorphous oxide or hydroxide shell. UV-VIS spectroscopy shows that copper presence at concentrations higher than 0.3 wt% lowers the band gap energy. The particles are unaffected by heating to 600 K, while growth and partial transformation to rutile TiO2 occur at higher temperatures. Anisotropic unit cell behavior of anatase is observed as a consequence of the particle growth (a decreases and c increases).

  3. Resonant inelastic x-ray scattering studies of elementary excitations

    NARCIS (Netherlands)

    Ament, Lucas Johannes Peter (Luuk)

    2010-01-01

    Resonant Inelastic X-ray Scattering (RIXS) is an X-ray in, X-ray out technique that enables one to study the dispersion of excitations in solids. In this thesis, we investigated how various elementary excitations of transition metal oxides show up in RIXS spectra.

  4. X-ray diffraction from mesoscopic systems

    International Nuclear Information System (INIS)

    Press, W.; Bahr, D.; Tolan, M.; Burandt, B.; Mueller, M.; Mueller-Buschbaum, P.; Nitz, V.; Stettner, J.

    1994-01-01

    Two activities of our group concerning structures on mesoscopic length scales are presented: (1) CoSi 2 layers buried in Si-wafers have been studied with many scattering geometries; the emphasis is on diffuse scattering from rough interfaces and diffuse scattering from atomic scale defects. (2) The other example is an investigation of laterally structured surfaces in the region of total external reflection and around Bragg peaks. In both cases extensions of the presently available models are necessary. ((orig.))

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

    Indian Academy of Sciences (India)

    the crystalline quality through full-width at half-maximum values. .... angular divergence of ∆α = 12 arc sec. X-rays generated from the monochromator were diffracted from (0 0 6) LiNbO3 atomic planes with the (+, −, −, +, +) geometry. [8].

  6. Spectroscopic imaging, diffraction, and holography with x-ray photoemission

    International Nuclear Information System (INIS)

    1992-02-01

    X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimental fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons

  7. Spectroscopic imaging, diffraction, and holography with x-ray photoemission

    Energy Technology Data Exchange (ETDEWEB)

    1992-02-01

    X-ray probes are capable of determining the spatial structure of an atom in a specific chemical state, over length scales from about a micron all the way down to atomic resolution. Examples of these probes include photoemission microscopy, energy-dependent photoemission diffraction, photoelectron holography, and X-ray absorption microspectroscopy. Although the method of image formation, chemical-state sensitivity, and length scales can be very different, these X-ray techniques share a common goal of combining a capability for structure determination with chemical-state specificity. This workshop will address recent advances in holographic, diffraction, and direct imaging techniques using X-ray photoemission on both theoretical and experimental fronts. A particular emphasis will be on novel structure determinations with atomic resolution using photoelectrons.

  8. Crystallized solids characterization by X-ray diffraction

    International Nuclear Information System (INIS)

    Broll, N.

    1996-01-01

    This work deals with the crystallized solids characterization by X-ray diffraction. The powders diffraction principle is described. Then are given the different powders diffraction experimental methods. An X-ray diffraction device is essentially constituted of three parts: the X-rays source, the sample and the detector. The source is usually constituted by an X-rays tube whereas the sample can be fixed on a photographic chamber or put on a goniometer. The different photographic chambers which can be used (Debye-Scherrer, Seeman-Bohlin and Guinier) are described. The powders diffractometer the most used is a Bragg-Brentano focusing diffractometer because it allows to obtain very sharp spectral lines and an important diffracted intensity. The detectors which are the mainly used are the scintillation counters. The most important use in powders diffractometry is the identification of the different phases of a sample. The phases identification consists to compare the unknown sample spectrum at those of standard materials indexed until now. Two methods exist at present. They are explained and their limits in the phases search are given. Another use of the X-ray diffraction is the quantitative analysis. It consists to determine the concentrations of each crystal phases of a sample. The principles of these quantitative methods are given. The lattice parameters of a polycrystal material can be determined from its X-ray pattern too with a very high precision. The way to index powders patterns is given. The residual stresses of materials can also be estimated. The principle of this measured method is explained. It is at last possible to study from an X-ray pattern, the material grain orientations during the different steps of preparation and working. (O.M.). 13 refs., 19 figs., 1 tab

  9. X-ray diffraction topography. Stages and tendencies of development

    International Nuclear Information System (INIS)

    Shul'pina, I.L.

    2000-01-01

    The physical foundation of X-ray diffraction topography, its methods, the achievements in image theory, the stages of evolution were described in this review. It was found that modern topography is well along in development associated with the use of third-generation synchrotron radiation and with its adaptation to advance materials and problems of materials science. Some proposals about prospects for X-ray topography progress in the future have been made [ru

  10. Three-dimensional x-ray diffraction detection and visualization

    International Nuclear Information System (INIS)

    Allahkarami, Masoud; Hanan, Jay C

    2014-01-01

    A new method of sensing and analyzing three-dimensional (3D) x-ray diffraction (XRD) cones was introduced. Using a two-dimensional area detector, a sequence of frames was collected while moving the detector away from the sample with small equally spaced steps and keeping all other parameters constant. A 3D dataset was created from the subsequent frames. The 3D x-ray diffraction (XRD 3 ) pattern contains far more information than a one-dimensional profile collected with the conventional diffractometer and 2D x-ray diffraction (XRD 2 ). The present work discusses some fundamentals about XRD 3 , such as the data collection method, 3D visualization, diffraction data interpretation and potential applications of XRD 3 . (paper)

  11. Liquid ammonia: Molecular correlation functions from x-ray diffraction

    International Nuclear Information System (INIS)

    Narten, A.H.

    1977-01-01

    For nearly spherical molecules the x-ray scattering from liquids yields structure and correlation functions for molecular centers. The distribution of electron density in an ammonia molecular is very nearly spherical, and orientational correlation between molecules in the liquid is not ''seen'' by x rays. Structure and correlation functions for molecular centers (nitrogen atoms) are derived from x-ray data on liquid NH 3 at 4 degreeC and tabulated. They provide a sensitive test for future work on a molecular theory of liquid ammonia

  12. High resolution X-ray diffraction studies on unirradiated

    Indian Academy of Sciences (India)

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

  13. Surface and interface strains studied by x-ray diffraction

    International Nuclear Information System (INIS)

    Akimoto, Koichi; Emoto, Takashi; Ichimiya, Ayahiko

    1998-01-01

    The authors have developed a technique of X-ray diffraction in order to measure strain fields near semiconductor surface and interface. The diffraction geometry is using the extremely asymmetric Bragg-case bulk reflection of a small incident angle to the surface and a large angle exiting from the surface. The incident angle of the X-rays is set near critical angle of total reflection by tuning X-ray energy of synchrotron radiation at the Photon Factory, Japan. For thermally grown-silicon oxide/Si(100) interface, the X-ray intensity of the silicon substrate 311 reflection has been measured. From comparison of the full width at half maxima (FWHM) of X-ray rocking curves of various thickness of silicon oxides, it has been revealed that silicon substrate lattice is highly strained in the thin (less than about 5 nm) silicon oxide/silicon system. In order to know the original silicon surface strain, the authors have also performed the same kind of measurements in the ultra-high vacuum chamber. A clean Si(111) 7x7 surface gives sharper X-ray diffraction peak than that of the native oxide/Si(111) system. From these measurements, it is concluded that the thin silicon oxide film itself gives strong strain fields to the silicon substrates, which may be the reason of the existence of the structural transition layer at the silicon oxide/Si interface

  14. Growth of ω inclusions in Ti alloys: An X-ray diffraction study

    International Nuclear Information System (INIS)

    Šmilauerová, J.; Harcuba, P.; Pospíšil, J.; Matěj, Z.; Holý, V.

    2013-01-01

    We investigated the size and crystal structure of nanometer-sized ω inclusions in single crystals of β-Ti alloys by X-ray diffraction pole-figure measurements and reciprocal space mapping. We studied the topotactical relation of the β and ω crystal lattices, and from the positions and shapes of the diffraction maxima of the ω lattice determined the mean size of the ω inclusions and the misfit of the inclusion lattice with respect to the host lattice, as well as their changes during ageing. The lattice of the ω inclusions exhibits a large positive misfit already before ageing and the misfit is subsequently reduced during the ageing process. Using the theories of elasticity and X-ray scattering we simulated diffuse X-ray scattering around the β diffraction maxima and demonstrated that the diffuse scattering is caused mainly by local elastic strains in the β host phase around the ω inclusions

  15. Polarized X-ray excitation for scatter reduction in X-ray fluorescence computed tomography.

    Science.gov (United States)

    Vernekohl, Don; Tzoumas, Stratis; Zhao, Wei; Xing, Lei

    2018-05-25

    X-ray fluorescence computer tomography (XFCT) is a new molecular imaging modality which uses X-ray excitation to stimulate the emission of fluorescent photons in high atomic number contrast agents. Scatter contamination is one of the main challenges in XFCT imaging which limits the molecular sensitivity. When polarized X-rays are used, it is possible to reduce the scatter contamination significantly by placing detectors perpendicular to the polarization direction. This study quantifies scatter contamination for polarized and unpolarized X-ray excitation and determines the advantages of scatter reduction. The amount of scatter in preclinical XFCT is quantified in Monte Carlo simulations. The fluorescent X-rays are emitted isotropically, while scattered X-rays propagate in polarization direction. The magnitude of scatter contamination is studied in XFCT simulations of a mouse phantom. In this study, the contrast agent gold is examined as an example but a scatter reduction from polarized excitation is also expected for other elements. The scatter reduction capability is examined for different polarization intensities with a monoenergetic X-ray excitation energy of 82 keV. The study evaluates two different geometrical shapes of CZT detectors which are modeled with an energy resolution of 1 keV FWHM at an X-ray energy of 80 keV. Benefits of a detector placement perpendicular to the polarization direction are shown in iterative and analytic image reconstruction including scatter correction. The contrast to noise ratio (CNR) and the normalized mean square error (NMSE) are analyzed and compared for the reconstructed images. A substantial scatter reduction for common detector sizes was achieved for 100% and 80% linear polarization while lower polarization intensities provide a decreased scatter reduction. By placing the detector perpendicular to the polarization direction, a scatter reduction by factor up to 5.5 can be achieved for common detector sizes. The image

  16. Information extracting and processing with diffraction enhanced imaging of X-ray

    International Nuclear Information System (INIS)

    Chen Bo; Chinese Academy of Science, Beijing; Chen Chunchong; Jiang Fan; Chen Jie; Ming Hai; Shu Hang; Zhu Peiping; Wang Junyue; Yuan Qingxi; Wu Ziyu

    2006-01-01

    X-ray imaging at high energies has been used for many years in many fields. Conventional X-ray imaging is based on the different absorption within a sample. It is difficult to distinguish different tissues of a biological sample because of their small difference in absorption. The authors use the diffraction enhanced imaging (DEI) method. The authors took images of absorption, extinction, scattering and refractivity. In the end, the authors presented pictures of high resolution with all these information combined. (authors)

  17. X-ray scattering in giant magneto-resistive multilayers

    International Nuclear Information System (INIS)

    Fulthorpe, B.D.

    1999-01-01

    The scattering mechanisms responsible for Giant Magneto-Resistance (GMR) in magnetic multilayers are believed to be related to many aspects of the multilayer structure. X-ray scattering techniques provide a powerful method with which to study the bulk and interface morphology in these systems, and are therefore crucial in developing an understanding of the dominant factors influencing the magnitude of the GMR. Reflectivity measurements performed on a series of Co/Cu multilayers, sputter deposited onto etched silicon, reveal no variation in the interface roughness with etching voltage, the thickness of the individual layers also remaining constant. The observed decrease in the GMR cannot, therefore, be attributed to variations in spacer thickness or interfacial spin-independent scattering. Electron and X-ray Diffraction measurements suggest the reduction in GMR is due to a loss of antiferromagnetic coupling associated with a transformation of the texture from a randomly oriented to well oriented (111) polycrystalline texture, and subsequent reduction in the volume fraction of (100) oriented grains. Interfaces within Co/Cu are found to propagate with a high degree of conformality with increasing bilayer number, with an out-of-plane correlation length well in excess of 300A. In contrast, the Co/Pt system exhibits a limiting out-of-plane correlation length of the order of 350A arising from a columnar growth mode. X-ray Reflectivity and Diffraction measurements provide' no structural interpretation for the 3-fold enhancement in the rate of increase of the saturation conductivity, as a function of spacer thickness, in Fe/Au (100) compared to Fe/Au (111), or why large oscillations in the GMR occur for the (100) orientation only. Such observations are, however, consistent with the existence of a channelling mechanism in Fe/Au (100). Grazing Incidence Fluorescence data indicates that Nb acts as a surfactant in Fe/Au (111) growth on sapphire. The influence of different

  18. X-ray powder diffraction data on miscellaneous lanthanide compounds

    International Nuclear Information System (INIS)

    Ferguson, I.F.; Hughes, T.E.

    1978-08-01

    Recent work on neutron absorbing materials has produced various new X-ray diffraction powder patterns of compounds of the lanthanides. Various inconsistencies in previously published data have been noted, and accurate measurements have been made of the lattice parameters of the rare earth oxides Sm 2 0 3 , Eu 2 0 3 , Gd 2 0 3 which have the monoclinic rare earth type B- structure, as well as Eu0. These data are recorded for reference. The optimum conditions for obtaining X-ray powder diffraction data from europium compounds are also noted. (author)

  19. Magnetic X-Ray Scattering with Synchrotron Radiation

    DEFF Research Database (Denmark)

    Moncton, D. E.; Gibbs, D.; Bohr, Jakob

    1986-01-01

    With the availability of high-brilliance synchrotron radiation from multiple wigglers, magnetic X-ray scattering has become a powerful new probe of magnetic structure and phase transitions. Similar to the well-established magnetic neutron scattering technique, magnetic X-ray scattering methods have...... many complementary advantages. A brief review is presented of the history of magnetic X-ray scattering as well as recent results obtained in studies of the rare-earth magnet holmium with emphasis on instrumentational aspects. In particular, the development of a simple polarization analyzer...... to distinguish charge and magnetic scattering is described....

  20. Size effect in X-ray and electron diffraction patterns from hydroxyapatite particles

    International Nuclear Information System (INIS)

    Suvorova, E.I.; Buffat, P.-A.

    2001-01-01

    High-resolution transmission electron microscopy (HRTEM), electron microdiffraction, and X-ray diffraction were used to study hydroxyapatite specimens with particle sizes from a few nanometers to several hundreds of nanometers. Diffuse scattering (without clear reflections in transmission diffraction patterns) or strongly broadened peaks in X-ray diffraction patterns are characteristic for agglomerated hydroxyapatite nanocrystals. However, HRTEM and microdiffraction showed that this cannot be considered as an indication of the amorphous state of the matter but rather as the demonstration of size effect and the morphological and structural features of hydroxyapatite nanocrystals

  1. X-Ray Scattering Applications Using Pulsed X-Ray Sources

    Energy Technology Data Exchange (ETDEWEB)

    Larson, B.C.

    1999-05-23

    Pulsed x-ray sources have been used in transient structural phenomena investigations for over fifty years; however, until the advent of synchrotrons sources and the development of table-top picosecond lasers, general access to ligh temporal resolution x-ray diffraction was relatively limited. Advances in diffraction techniques, sample excitation schemes, and detector systems, in addition to IncEased access to pulsed sources, have ld tO what is now a diverse and growing array of pulsed-source measurement applications. A survey of time-resolved investigations using pulsed x-ray sources is presented and research opportunities using both present and planned pulsed x-ray sources are discussed.

  2. X-Ray Diffraction Project Final Report, Fiscal Year 2006

    International Nuclear Information System (INIS)

    Dane V. Morgan

    2006-01-01

    An x-ray diffraction diagnostic system was developed for determining real-time shock-driven lattice parameter shifts in single crystals at the gas gun at TA-IV at Sandia National Laboratories (SNL). The signal-to-noise ratio and resolution of the system were measured using imaging plates as the detector and by varying the slit width. This report includes tests of the x-ray diffraction system using a phosphor coupled to a charge-coupled device (CCD) camera by a coherent fiber-optic bundle. The system timing delay was measured with a newly installed transistor-transistor logic (TTL) bypass designed to reduce the x-ray delay time. The axial misalignment of the Bragg planes was determined with respect to the optical axis for a set of eight LiF [lithium fluoride] crystals provided by SNL to determine their suitability for gas gun experiments

  3. Microbeam high-resolution diffraction and x-ray standing wave methods applied to semiconductor structures

    International Nuclear Information System (INIS)

    Kazimirov, A; Bilderback, D H; Huang, R; Sirenko, A; Ougazzaden, A

    2004-01-01

    A new approach to conditioning x-ray microbeams for high angular resolution x-ray diffraction and scattering techniques is introduced. We combined focusing optics (one-bounce imaging capillary) and post-focusing collimating optics (miniature Si(004) channel-cut crystal) to generate an x-ray microbeam with a size of 10 μm and ultimate angular resolution of 14 μrad. The microbeam was used to analyse the strain in sub-micron thick InGaAsP epitaxial layers grown on an InP(100) substrate by the selective area growth technique in narrow openings between the oxide stripes. For the structures for which the diffraction peaks from the substrate and the film overlap, the x-ray standing wave technique was applied for precise measurements of the strain with a Δd/d resolution of better than 10 -4 . (rapid communication)

  4. Direct methods for surface X-ray diffraction

    International Nuclear Information System (INIS)

    Saldin, D. K.; Harder, R.; Shneerson, V. L.; Vogler, H.; Moritz, W.

    2000-01-01

    We develop of a direct method for surface X-ray diffraction that exploits the holographic feature of a known reference wave from the substrate. A Bayesian analysis of the optimal inference to be made from an incomplete data set suggests a maximum entropy algorithm that balances agreement with the data and other statistical considerations

  5. X-Ray diffraction Investigation of Electrochemically Deposited Copper

    DEFF Research Database (Denmark)

    Pantleon, Karen; Jensen, Jens Dahl; Somers, Marcel A.J.

    2004-01-01

    by the determination of X-ray diffraction (XRD) pole figures and the calculation of the orientation distribution functions. XRD results are discussed in relation to the morphologies of the electrodeposits as investigated with light optical microscopy and correlated with the process parameters during electrodeposition....

  6. The three dimensional X-ray diffraction technique

    DEFF Research Database (Denmark)

    Juul Jensen, Dorte; Poulsen, Henning Friis

    2012-01-01

    This introductory tutorial describes the so called 3 dimensional X-ray diffraction (3DXRD) technique, which allows bulk non-destructive structural characterizations of crystalline materials. The motivations and history behind the development of this technique are described and its potentials...

  7. Fusion bonding of Si wafers investigated by x ray diffraction

    DEFF Research Database (Denmark)

    Weichel, Steen; Grey, Francois; Rasmussen, Kurt

    2000-01-01

    The interface structure of bonded Si(001) wafers with twist angle 6.5 degrees is studied as a function of annealing temperature. An ordered structure is observed in x-ray diffraction by monitoring a satellite reflection due to the periodic modulation near the interface, which results from...

  8. Quantitative determination of phases by X-ray diffraction

    International Nuclear Information System (INIS)

    Azevedo, A.L.T.

    1979-01-01

    The internal standard method for the quantitative determination of phases by X-ray diffraction is presented. The method is applicable to multi-phase materials which may be treated as powder. A discussion on sample preparation and some examples follow. (Author) [pt

  9. Residual cold-work determination by X-ray diffraction

    International Nuclear Information System (INIS)

    Pireau, A.; Vanderborck, Y.

    1990-01-01

    The determination of the cold-work level of materials for fast breeder reactors can be made by different techniques. The report compares different methods for an application on austenitic stainless steels and demonstrates that the X-ray diffraction procedure is a reliable technique. A round robin test has been performed between three laboratories; the results are presented and discussed

  10. X-ray diffraction study of pure plutonium under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Faure, Ph. [CEA, Valduc, F-21120 Is-sur-Tille (France)], E-mail: philippe.faure@cea.fr; Genestier, C. [CEA, Valduc, F-21120 Is-sur-Tille (France)

    2009-03-15

    Atomic volume and bulk modulus represent basic cohesion properties of a material and are therefore linked to many other physical properties. However, large discrepancies are found in the literature regarding values for the bulk modulus of pure plutonium ({alpha}-phase). New X-ray diffraction measurements of plutonium in diamond anvil cell are presented and the isothermal bulk modulus is extracted.

  11. Materials identification using a small-scale pixellated x-ray diffraction system

    International Nuclear Information System (INIS)

    O’Flynn, D; Crews, C; Drakos, I; Christodoulou, C; Speller, R D; Wilson, M D; Veale, M C; Seller, P

    2016-01-01

    A transmission x-ray diffraction system has been developed using a pixellated, energy-resolving detector (HEXITEC) and a small-scale, mains operated x-ray source (Amptek Mini-X). HEXITEC enables diffraction to be measured without the requirement of incident spectrum filtration, or collimation of the scatter from the sample, preserving a large proportion of the useful signal compared with other diffraction techniques. Due to this efficiency, sufficient molecular information for material identification can be obtained within 5 s despite the relatively low x-ray source power. Diffraction data are presented from caffeine, hexamine, paracetamol, plastic explosives and narcotics. The capability to determine molecular information from aspirin tablets inside their packaging is demonstrated. Material selectivity and the potential for a sample classification model is shown with principal component analysis, through which each different material can be clearly resolved. (paper)

  12. Single photon energy dispersive x-ray diffraction

    International Nuclear Information System (INIS)

    Higginbotham, Andrew; Patel, Shamim; Ciricosta, Orlando; Suggit, Matthew J.; Wark, Justin S.; Hawreliak, James A.; Collins, Gilbert W.; Coppari, Federica; Eggert, Jon H.; Tang, Henry

    2014-01-01

    With the pressure range accessible to laser driven compression experiments on solid material rising rapidly, new challenges in the diagnosis of samples in harsh laser environments are emerging. When driving to TPa pressures (conditions highly relevant to planetary interiors), traditional x-ray diffraction techniques are plagued by increased sources of background and noise, as well as a potential reduction in signal. In this paper we present a new diffraction diagnostic designed to record x-ray diffraction in low signal-to-noise environments. By utilising single photon counting techniques we demonstrate the ability to record diffraction patterns on nanosecond timescales, and subsequently separate, photon-by-photon, signal from background. In doing this, we mitigate many of the issues surrounding the use of high intensity lasers to drive samples to extremes of pressure, allowing for structural information to be obtained in a regime which is currently largely unexplored

  13. Single photon energy dispersive x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Higginbotham, Andrew; Patel, Shamim; Ciricosta, Orlando; Suggit, Matthew J.; Wark, Justin S. [Department of Physics, Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Hawreliak, James A.; Collins, Gilbert W.; Coppari, Federica; Eggert, Jon H. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Tang, Henry [Department of Earth and Planetary Science, University of California Berkeley, Berkeley, California 94720 (United States)

    2014-03-15

    With the pressure range accessible to laser driven compression experiments on solid material rising rapidly, new challenges in the diagnosis of samples in harsh laser environments are emerging. When driving to TPa pressures (conditions highly relevant to planetary interiors), traditional x-ray diffraction techniques are plagued by increased sources of background and noise, as well as a potential reduction in signal. In this paper we present a new diffraction diagnostic designed to record x-ray diffraction in low signal-to-noise environments. By utilising single photon counting techniques we demonstrate the ability to record diffraction patterns on nanosecond timescales, and subsequently separate, photon-by-photon, signal from background. In doing this, we mitigate many of the issues surrounding the use of high intensity lasers to drive samples to extremes of pressure, allowing for structural information to be obtained in a regime which is currently largely unexplored.

  14. Diffraction enhanced X-ray imaging of mammals crystalline lens

    International Nuclear Information System (INIS)

    Antunes, A.; Hoennicke, M.G.; Safatle, A.M.V.; Cusatis, C.; Moraes Barros, P.S.; Morelhao, S.L.

    2005-01-01

    Crystalline lenses are transparent biological materials where the organization of the lens fibers can also be affected by changes at molecular level, and therefore the structure and morphology of the tissue can be correlated to the loss of transparency of the lens. In this work, internal structure of mammal lenses regarding the long-range ordering of the fibers are investigated by diffraction enhanced X-ray imaging (DEI) radiography. Moreover, DEI and absorption X-ray synchrotron radiographs for healthy and cataractous crystalline lenses are compared. Significant differences in healthy and cataractous crystalline lenses are observed

  15. Raman spectroscopy and X-ray diffraction studies on celestite

    International Nuclear Information System (INIS)

    Chen Yenhua; Yu Shucheng; Huang, Eugene; Lee, P.-L.

    2010-01-01

    High-pressure Raman spectroscopy and X-ray diffraction studies of celestite (SrSO 4 ) were carried out in a diamond anvil cell at room temperature. Variation in the Raman vibrational frequency and change of lattice parameters with pressure indicate that a transformation occurs in celestite. This transformation caused an adjustment in the Sr-O polyhedra that affected the stretching-force constant of SO 4 . Moreover, compressibilities along the crystallographic axes decreased in the order a to c to b. From the compression data, the bulk modulus of the celestite was 87 GPa. Both X-ray and Raman data show that the transition in celestite is reversible.

  16. X-Ray-Scattering Measurements Of Strain In PEEK

    Science.gov (United States)

    Cebe, Peggy; Lowry, Lynn E.; Chung, Shirley Y.; Yavrouian, Andre H.; Gupta, Amitava

    1988-01-01

    Internal stress relieved by heating above glass-transition temperature. Report describes wide-angle x-ray scattering and differential scanning calorimetry of specimens of poly(etheretherketone) having undergone various thermal treatments. Wide-angle x-ray scattering particularly useful in determining distances between atoms, crystallinity, and related microstructurally generated phenomena, as thermal expansion and strain. Calorimetric measurements aid interpretation of scattering measurements by enabling correlation with thermal effects.

  17. X-ray scatter data for diagnostic radiology

    International Nuclear Information System (INIS)

    Dick, C.E.; Soares, C.G.; Motz, J.W.

    1978-01-01

    The ratio of the scattered to the total X-ray fluence (scatter fraction) at the centre of the image plane for X-rays transmitted through polystyrene phantoms has been measured for X-ray energies of 32 and 69 keV, X-ray beam diameters from 4 to 40 cm, phantom thicknesses from 5 to 30 cm and phantom-to-image-plane separations from 0.3 to 40 cm. The experimental values for this ratio have less than a 10% variation for these two X-ray energies and the experimental data show good agreement with Monte Carlo calculations and available experimental results for low atomic number materials. Based on these results, simple curves are generated which give estimates (+ - 10%) of the scatter fraction for all combinations of the geometric parameters encountered in diagnostic radiology. (author)

  18. MSL Chemistry and Mineralogy X-Ray Diffraction X-Ray Fluorescence (CheMin) Instrument

    Science.gov (United States)

    Zimmerman, Wayne; Blake, Dave; Harris, William; Morookian, John Michael; Randall, Dave; Reder, Leonard J.; Sarrazin, Phillipe

    2013-01-01

    This paper provides an overview of the Mars Science Laboratory (MSL) Chemistry and Mineralogy Xray Diffraction (XRD), X-ray Fluorescence (XRF) (CheMin) Instrument, an element of the landed Curiosity rover payload, which landed on Mars in August of 2012. The scientific goal of the MSL mission is to explore and quantitatively assess regions in Gale Crater as a potential habitat for life - past or present. The CheMin instrument will receive Martian rock and soil samples from the MSL Sample Acquisition/Sample Processing and Handling (SA/SPaH) system, and process it utilizing X-Ray spectroscopy methods to determine mineral composition. The Chemin instrument will analyze Martian soil and rocks to enable scientists to investigate geophysical processes occurring on Mars. The CheMin science objectives and proposed surface operations are described along with the CheMin hardware with an emphasis on the system engineering challenges associated with developing such a complex instrument.

  19. X-ray generator based on Compton scattering

    NARCIS (Netherlands)

    Androsov, V.P.; Agafonov, A.V.; Botman, J.I.M.; Bulyak, E.V.; Drebot, I.; Gladkikh, P.I.; Grevtsev, V.; Ivashchenko, V.; Karnaukhov, I.M.; Lapshin, V.I.

    2005-01-01

    Nowadays, the sources of the X-rays based on a storage ring with low beam energy and Compton scattering of intense laser beam are under development in several laboratories. In the paper the state-of-art in development and construction of cooperative project of a Kharkov advanced X-ray source NESTOR

  20. Atomic substitution effects on the structural and vibrational properties of Ni{sub x}Pb{sub 1-x}TiO{sub 3}: X-ray diffraction and Raman scattering investigations

    Energy Technology Data Exchange (ETDEWEB)

    Costa, R. C. da [Universidade Federal de São Carlos, Departamento de Física, São Carlos-SP, 13565-905 (Brazil); Universidade Federal de Campina Grande, Pombal-PB, 58840-000 (Brazil); Toledo, T. A. de; Pizani, P. S., E-mail: pizani@df.ufscar.br [Universidade Federal de São Carlos, Departamento de Física, São Carlos-SP, 13565-905 (Brazil); Espinosa, J. W. M. [Universidade Federal de Goiás, Engenharia de Produção, Catalão-GO, 75704-020 (Brazil)

    2015-07-15

    The effects of the atomic substitution of Pb by Ni in the PbTiO{sub 3} ferroelectric perovskite on the vibrational and structural properties was studied using x-ray diffraction and Raman scattering. It was observed that for Ni concentrations between 0.0 and 0.4, there is the formation of a solid solution with reduction of the Raman wavenumber of the E(TO1) soft mode and the tetragonallity factor, which influence directly the temperature of the tetragonal ferroelectric to cubic paraelectric phase transition, the Curie temperature. For concentrations greater than 0.4, it is observed the formation of a PbTiO{sub 3} and NiTiO{sub 3} composite, denounced by the recovering of the both, tetragonallity factor and the E(TO1) soft mode wavenumber. The values of the Curie temperatures were estimated by the Raman scattering measurements for temperatures ranging from 300 to 950 K.

  1. Single-pulse x-ray diffraction using polycapillary optics for in situ dynamic diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Maddox, B. R., E-mail: maddox3@llnl.gov; Akin, M. C., E-mail: akin1@llnl.gov; Teruya, A.; Hunt, D.; Hahn, D.; Cradick, J. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Morgan, D. V. [National Security Technologies LLC, Los Alamos, New Mexico 87544 (United States)

    2016-08-15

    Diagnostic use of single-pulse x-ray diffraction (XRD) at pulsed power facilities can be challenging due to factors such as the high flux and brightness requirements for diffraction and the geometric constraints of experimental platforms. By necessity, the x-ray source is usually positioned very close, within a few inches of the sample. On dynamic compression platforms, this puts the x-ray source in the debris field. We coupled x-ray polycapillary optics to a single-shot needle-and-washer x-ray diode source using a laser-based alignment scheme to obtain high-quality x-ray diffraction using a single 16 ns x-ray pulse with the source >1 m from the sample. The system was tested on a Mo sample in reflection geometry using 17 keV x-rays from a Mo anode. We also identified an anode conditioning effect that increased the x-ray intensity by 180%. Quantitative measurements of the x-ray focal spot produced by the polycapillary yielded a total x-ray flux on the sample of 3.3 ± 0.5 × 10{sup 7} molybdenum Kα photons.

  2. X-ray scattering measurements from thin-foil x-ray mirrors

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; BYRNAK, BP; Hornstrup, Allan

    1992-01-01

    Thin foil X-ray mirrors are to be used as the reflecting elements in the telescopes of the X-ray satellites Spectrum-X-Gamma (SRG) and ASTRO-D. High resolution X-ray scattering measurements from the Au coated and dip-lacquered Al foils are presented. These were obtained from SRG mirrors positioned...... in a test quadrant of the telescope structure and from ASTRO-D foils held in a simple fixture. The X-ray data is compared with laser data and other surface structure data such as STM, atomic force microscopy (AFM), TEM, and electron micrography. The data obtained at Cu K-alpha(1), (8.05 keV) from all...

  3. A structural view of Pd model catalysts : high-pressure surface X-Ray diffraction

    NARCIS (Netherlands)

    Rijn, Richard van

    2012-01-01

    This thesis describes the development of a combined high-pressure/ultrahigh-vacuum flow reactor for the study of model catalysts by means of surface x-ray diffraction and grazing incidence small angle scattering. The system was used to measure a stability diagram for the different oxide phases

  4. Simultaneous resonant x-ray diffraction measurement of polarization inversion and lattice strain in polycrystalline ferroelectrics

    DEFF Research Database (Denmark)

    Gorfman, S.; Simons, Hugh; Iamsasri, T.

    2016-01-01

    and strain in ferroelectrics is an ongoing challenge that so far has obscured its fundamental behaviour. By utilizing small intensity differences between Friedel pairs due to resonant scattering, we demonstrate a time-resolved X-ray diffraction technique for directly and simultaneously measuring both lattice...

  5. Kharkov X-ray Generator Based On Compton Scattering

    International Nuclear Information System (INIS)

    Shcherbakov, A.; Zelinsky, A.; Mytsykov, A.; Gladkikh, P.; Karnaukhov, I.; Lapshin, V.; Telegin, Y.; Androsov, V.; Bulyak, E.; Botman, J.I.M.; Tatchyn, R.; Lebedev, A.

    2004-01-01

    Nowadays X-ray sources based on storage rings with low beam energy and Compton scattering of intense laser beams are under development in several laboratories. An international cooperative project of an advanced X-ray source of this type at the Kharkov Institute of Physics and Technology (KIPT) is described. The status of the project is reviewed. The design lattice of the storage ring and calculated X-ray beam parameters are presented. The results of numerical simulation carried out for proposed facility show a peak spectral X-ray intensity of about 1014 can be produced

  6. Modern X-ray diffraction. X-ray diffractometry for materials scientists, physicists, and chemicists. 2. rev. and enl. ed.

    International Nuclear Information System (INIS)

    Spiess, Lothar; Teichert, Gerd; Schwarzer, Robert; Behnken, Herfried; Genzel, Christoph

    2009-01-01

    This book offers a comprehensive survey over the applications of X-ray diffractions in fields like materials technique, metallurgy, electrotechniques, mechanical engineering, as well as micro- and nanotechniques. The necessary baic knowledges of X-ray diffraction are mediated foundedly and illustratively. Thereby new techniques and evaluation procedures are presented as well as well known methods

  7. Multiple x-ray diffraction simulation and applications

    International Nuclear Information System (INIS)

    Costa, C.A.B.S. da.

    1989-09-01

    A computer program (MULTX) was implemented for simulation X-ray multiple diffraction diagrams in Renninger geometries. The program uses the X-ray multiple diffraction theory for imperfect crystals. The iterative calculation of the intensities is based on the Taylor series general term, and the primary beam power expansion is given as function of the beam x penetration in the crystal surface. This development allows to consider the simultaneous interaction of the beams involved in the multiple diffraction phenomenon. The simulated diagrams are calculated point-to-point and the tests for the Si and GaAs presented good reproduction of the experimental diagrams for different primary reflections. (L.C.J.A.)

  8. Illicit drug detection using energy dispersive x-ray diffraction

    Science.gov (United States)

    Cook, E. J.; Griffiths, J. A.; Koutalonis, M.; Gent, C.; Pani, S.; Horrocks, J. A.; George, L.; Hardwick, S.; Speller, R.

    2009-05-01

    Illicit drugs are imported into countries in myriad ways, including via the postal system and courier services. An automated system is required to detect drugs in parcels for which X-ray diffraction is a suitable technique as it is non-destructive, material specific and uses X-rays of sufficiently high energy to penetrate parcels containing a range of attenuating materials. A database has been constructed containing the measured powder diffraction profiles of several thousand materials likely to be found in parcels. These include drugs, cutting agents, packaging and other innocuous materials. A software model has been developed using these data to predict the diffraction profiles which would be obtained by X-ray diffraction systems with a range of suggested detector (high purity germanium, CZT and scintillation), source and collimation options. The aim of the model was to identify the most promising system geometries, which was done with the aid of multivariate analysis (MVA). The most promising systems were constructed and tested. The diffraction profiles of a range of materials have been measured and used to both validate the model and to identify the presence of drugs in sample packages.

  9. 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.

  10. Magnetic x-ray circular dichroism in spin-polarized photoelectron diffraction

    International Nuclear Information System (INIS)

    Waddill, G.D.; Tobin, J.G.

    1994-01-01

    The first structural determination with spin-polarized, energy-dependent photoelectron diffraction using circularly-polarized x-rays is reported for Fe films on Cu(001). Circularly-polarized x-rays produced spin-polarized photoelectrons from the Fe 2p doublet, and intensity asymmetries in the 2p 3/2 level are observed. Fully spin-specific multiple scattering calculations reproduced the experimentally-determined energy and angular dependences. A new analytical procedure which focuses upon intensity variations due to spin-dependent diffraction is introduced. A sensitivity to local geometric and magnetic structure is demonstrated

  11. Extinction correction in white X-ray and neutron diffraction

    International Nuclear Information System (INIS)

    Tomiyoshi, S.; Yamada, M.; Watanabe, H.

    1980-01-01

    Extinction effects in white-beam X-ray and neutron diffraction are considered. In white-beam diffraction, a small deviation of the wavelength from the Bragg condition Δlambda is a variable which represents the line profile of the diffraction peaks, so that by using the new parameter Δlambda the theory is converted to one in white-beam diffraction. It is shown that for a convex crystal, primary extinction agrees with the results calculated already for monochromatic diffraction. The same relation is shown to hold in secondary extinction. It is concluded that extinction theory derived for monochromatic diffraction is applicable without any modification in white-beam diffraction. (Auth.)

  12. Electron Dynamics by Inelastic X-Ray Scattering

    CERN Document Server

    Schülke, Winfried

    2007-01-01

    The book offers the first comprehensive review of experimental methods, theory, and successful applications of synchrotron radiation based inelastic X-ray scattering (IXS) spectroscopy, which enables the investigation of electron dynamics in condensed matter (correlated motion and excitation).

  13. Diffraction anomalous fine structure using X-ray anomalous dispersion

    International Nuclear Information System (INIS)

    Soejima, Yuji; Kuwajima, Shuichiro

    1998-01-01

    A use of X-ray anomalous dispersion effects for structure investigation has recently been developed by using synchrotron radiation. One of the interesting method is the observation of anomalous fine structure which arise on diffraction intensity in energy region of incident X-ray at and higher than absorption edge. The phenomenon is so called Diffraction Anomalous Fine Structure (DAFS). DAFS originates in the same physical process an that of EXAFS: namely photoelectric effect at the corresponding atom and the interaction of photoelectron waves between the atom and neighboring atoms. In contrast with EXAFS, the method is available for only the crystalline materials, but shows effective advantages of the structure investigations by a use of diffraction: one is the site selectivity and the other is space selectivity. In the present study, demonstrations of a use of X-ray anomalous dispersion effect for the superstructure determination will be given for the case of PbZrO 3 , then recent trial investigations of DAFS in particular on the superlattice reflections will be introduced. In addition, we discuss about Forbidden Reflection near Edge Diffraction (FRED) which is more recently investigated as a new method of the structure analysis. (author)

  14. 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.

  15. 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)

  16. Multiple scattering approach to X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Benfatto, M.; Wu Ziyu

    2003-01-01

    In this paper authors present the state of the art of the theoretical background needed for analyzing X-ray absorption spectra in the whole energy range. The multiple-scattering (MS) theory is presented in detail with some applications on real systems. Authors also describe recent progress in performing geometrical fitting of the XANES (X-ray absorption near-edge structure) energy region and beyond using a full multiple-scattering approach

  17. X-ray scattering studies of surfaces and interfaces

    International Nuclear Information System (INIS)

    Sanyal, M.K.

    1998-01-01

    Here we shall briefly review the basics and some applications of x-ray specular reflectivity and diffuse scattering techniques. These x-ray scattering techniques are uniquely suited to study of the structure of surfaces and interfaces at atomic resolutions as they are nondestructive and can probe even interfaces which are buried. The study of structure of surfaces and interfaces is not only required in understanding physics in reduced dimensions but is also essential in developing technologically important materials

  18. Sources of the X-rays Based on Compton Scattering

    International Nuclear Information System (INIS)

    Androsov, V.; Bulyak, E.; Gladkikh, P.; Karnaukhov, I.; Mytsykov, A.; Telegin, Yu.; Shcherbakov, A.; Zelinsky, A.

    2007-01-01

    The principles of the intense X-rays generation by laser beam scattering on a relativistic electron beam are described and description of facilities assigned to produce the X-rays based on Compton scattering is presented. The possibilities of various types of such facilities are estimated and discussed. The source of the X-rays based on a storage ring with low beam energy is described in details and advantages of the sources of such type are discussed.The results of calculation and numerical simulation carried out for laser electron storage ring NESTOR that is under development in NSC KIPT show wide prospects of the accelerator facility of such type

  19. New imaging technique based on diffraction of a focused x-ray beam

    Energy Technology Data Exchange (ETDEWEB)

    Kazimirov, A [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, NY 14853 (United States); Kohn, V G [Russian Research Center ' Kurchatov Institute, 123182 Moscow (Russian Federation); Cai, Z-H [Advanced Photon Source, 9700 S. Cass Avenue, Argonne, IL 60439 (United States)], E-mail: ayk7@cornell.edu

    2009-01-07

    We present first experimental results from a new diffraction depth-sensitive imaging technique. It is based on the diffraction of a focused x-ray beam from a crystalline sample and recording the intensity pattern on a high-resolution CCD detector positioned at a focal plane. Structural non-uniformity inside the sample results in a region of enhanced intensity in the diffraction pattern. The technique was applied to study silicon-on-insulator thin layers of various thicknesses which revealed a complex strain profile within the layers. A circular Fresnel zone plate was used as a focusing optic. Incoherent diffuse scattering spreads out of the diffraction plane and results in intensity recorded outside of the focal spot providing a new approach to separately register x-rays scattered coherently and incoherently from the sample. (fast track communication)

  20. Depth distribution of multiple order X-ray scatter

    International Nuclear Information System (INIS)

    Yao Weiguang; Leszczynski, Konrad

    2008-01-01

    Scatter can significantly affect quality of projectional X-ray radiographs and tomographic reconstructions. With this in mind, we examined some of the physical properties of multiple orders of scatter of X-ray photons traversing through a layer of scattering media such as water. Using Monte Carlo techniques, we investigated depth distributions of interactions between incident X-ray photons and water before the resulting scattered photons reach the detector plane. Effects of factors such as radiation field size, air gap, thickness of the layer of scattering medium and X-ray energy, on the scatter were included in the scope of this study. The following scatter characteristics were observed: (1) for a layer of scattering material corresponding to the typical subject thickness in medical imaging, frequency distribution of locations of the last scattering interaction increases approximately exponentially with depth, and the higher the order of scatter or the energy of the incident photon, the narrower is the distribution; (2) for the second order scatter, the distribution of locations of the first interaction is more uniform than that of the last interaction and is dependent on the energy of the primary photons. Theoretical proofs for some of these properties are given. These properties are important to better understanding of effects of scatter on the radiographic and tomographic imaging process and to developing effective methods for scatter correction

  1. X-ray diffraction and measurement of residual stresses

    International Nuclear Information System (INIS)

    Maeder, G.; Lebrun, J.L.; Corcaud, L.

    1977-01-01

    X-ray diffraction technique is a non destructive method for measuring the residual stresses in mechanical parts. This method, called sin 2 PSI method is investigated. It is applied to the measurement of elastic constants in different directions of crystals of Zr alloy (Zircaloy 4) and Ti alloy (TA6V). Stresses in TA6V sheets welded by TIG and electron beam processes are also studied [fr

  2. Hard synchrotron radiation scattering from a nonideal surface grating from multilayer X-ray mirrors

    International Nuclear Information System (INIS)

    Punegov, V.I.; Nesterets, Ya.I.; Mytnichenko, S.V.; Kovalenko, N.V.; Chernov, V.A.

    2003-01-01

    The hard synchrotron radiation scattering from a multilayer surface grating is theoretically and experimentally investigated. The numerical calculations of angular distribution of scattering intensity from X-ray mirror Ni/C are executed with use of recurrence formulae and statistical dynamical theory of diffraction. It is shown, that the essential role in formation of a diffraction pattern plays a diffuse scattering caused by structure imperfection of a multilayer grating [ru

  3. X-ray diffraction from single GaAs nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Biermanns, Andreas

    2012-11-12

    In recent years, developments in X-ray focussing optics have allowed to produce highly intense, coherent X-ray beams with spot sizes in the range of 100 nm and below. Together with the development of new experimental stations, X-ray diffraction techniques can now be applied to study single nanometer-sized objects. In the present work, X-ray diffraction is applied to study different aspects of the epitaxial growth of GaAs nanowires. Besides conventional diffraction methods, which employ X-ray beams with dimensions of several tens of {mu}m, special emphasis lies on the use of nanodiffraction methods which allow to study single nanowires in their as-grown state without further preparation. In particular, coherent X-ray diffraction is applied to measure simultaneously the 3-dimensional shape and lattice parameters of GaAs nanowires grown by metal-organic vapor phase epitaxy. It is observed that due to a high density of zinc-blende rotational twins within the nanowires, their lattice parameter deviates systematically from the bulk zinc-blende phase. In a second step, the initial stage in the growth of GaAs nanowires on Si (1 1 1) surfaces is studied. This nanowires, obtained by Ga-assisted growth in molecular beam epitaxy, grow predominantly in the cubic zinc-blende structure, but contain inclusions of the hexagonal wurtzite phase close to their bottom interface. Using nanodiffraction methods, the position of the different structural units along the growth axis is determined. Because the GaAs lattice is 4% larger than silicon, these nanowires release their lattice mismatch by the inclusion of dislocations at the interface. Whereas NWs with diameters below 50 nm are free of strain, a rough interface structure in nanowires with diameters above 100 nm prevents a complete plastic relaxation, leading to a residual strain at the interface that decays elastically along the growth direction. Finally, measurements on GaAs-core/InAs-shell nanowire heterostructures are presented

  4. Computed tomography of x-ray index of refraction using the diffraction enhanced imaging method

    International Nuclear Information System (INIS)

    Dilmanian, F.A.; Ren, B.; Wu, X.Y.; Orion, I.; Zhong, Z.; Thomlinson, W.C.; Chapman, L.D.

    2000-01-01

    Diffraction enhanced imaging (DEI) is a new, synchrotron-based, x-ray radiography method that uses monochromatic, fan-shaped beams, with an analyser crystal positioned between the subject and the detector. The analyser allows the detection of only those x-rays transmitted by the subject that fall into the acceptance angle (central part of the rocking curve) of the monochromator/analyser system. As shown by Chapman et al , in addition to the x-ray attenuation, the method provides information on the out-of-plane angular deviation of x-rays. New images result in which the image contrast depends on the x-ray index of refraction and on the yield of small-angle scattering, respectively. We implemented DEI in the tomography mode at the National Synchrotron Light Source using 22 keV x-rays, and imaged a cylindrical acrylic phantom that included oil-filled, slanted channels. The resulting 'refraction CT image' shows the pure image of the out-of-plane gradient of the x-ray index of refraction. No image artefacts were present, indicating that the CT projection data were a consistent set. The 'refraction CT image' signal is linear with the gradient of the refractive index, and its value is equal to that expected. The method, at the energy used or higher, has the potential for use in clinical radiography and in industry. (author)

  5. X-ray scattering from periodic arrays of quantum dots

    International Nuclear Information System (INIS)

    Holy, V; Stangl, J; Lechner, R T; Springholz, G

    2008-01-01

    Three-dimensional periodic arrays of self-organized quantum dots in semiconductor multilayers are investigated by high-resolution x-ray scattering. We demonstrate that the statistical parameters of the dot array can be determined directly from the scattering data without performing a numerical simulation of the scattered intensity.

  6. X-ray diffraction at Bragg angles around π/2

    International Nuclear Information System (INIS)

    Mayolo, C.M.G. de.

    1991-01-01

    X-ray diffraction at Bragg angles around π/2 is studied from the theoretical and experimental points of view. The proposed corrections to the dynamical theory in the θ β ≅ π/2 cases, has been reviewed showing the equivalence between two formalisms leading to a corrected expression for the dependence of the angular parameter y with the angle of incidence. An expression for y valid in the conventional and θ β ≅ π/2 cases has been obtained. A general expression for Bragg law and for energy resolution after a Bragg diffraction was also deduced. (author)

  7. Complete k-space visualization of x-ray photoelectron diffraction

    International Nuclear Information System (INIS)

    Denlinger, J.D.; Lawrence Berkeley Lab., CA; Rotenberg, E.; Lawrence Berkeley Lab., CA; Kevan, S.D.; Tonner, B.P.

    1996-01-01

    A highly detailed x-ray photoelectron diffraction data set has been acquired for crystalline Cu(001). The data set for bulk Cu 3p emission encompasses a large k-space volume (k = 3--10 angstrom -1 ) with sufficient energy and angular sampling to monitor the continuous variation of diffraction intensities. The evolution of back-scattered intensity oscillations is visualized by energy and angular slices of this volume data set. Large diffraction data sets such as this will provide rigorous experimental tests of real-space reconstruction algorithms and multiple-scattering simulations

  8. Ultrafast x-ray scattering on nanoparticle dynamics

    International Nuclear Information System (INIS)

    Plech, A; Ibrahimkutty, S; Issenmann, D; Kotaidis, V; Siems, A

    2013-01-01

    Pulsed X-ray scattering is used for the determination of structural dynamics of laser-irradiated gold particles. By combining several scattering methods such as powder scattering, small angle scattering and diffuse wide angle scattering it is possible to reconstruct the kinetics of structure evolution on several lengths scales and derive complementary information on the particles and their local environment. A generic structural phase diagram for the reaction as function of delay time after laser excitation and laser fluence can be constructed.

  9. Controlled molecules for X-ray diffraction experiments at free-electron lasers

    International Nuclear Information System (INIS)

    Stern, Stephan

    2013-12-01

    X-ray diffractive imaging is at the very heart of materials science and has been utilized for decades to solve unknown molecular structures. Nowadays, it serves as the key method of structural biology to solve molecular structures of large biological molecules comprising several thousand or even millions of atoms. However, X-ray diffraction from isolated molecules is very weak. Therefore, the regular and periodic arrangement of a huge number of identical copies of a certain molecule of interest within a crystal lattice has been a necessary condition in order to exploit Bragg diffraction of X-rays. This results in a huge increase in scattered signal and a strongly improved signal-to-noise ratio compared to diffraction from non-crystalline samples. The major bottleneck of structural biology is that many of biologically interesting molecules refuse to form crystals of sufficient size to be used at synchrotron X-ray lightsources. However, novel X-ray free-electron lasers (XFELs), which became operational very recently, promise to address this issue. X-ray pulses provided by XFELs are many orders of magnitude more intense than X-ray pulses from a synchrotron source and at the same time as short as only several tens of femtoseconds. Combined with wavelengths in the nm-pm range, XFELs are well-suited to study ultrafast atomic and molecular dynamics. Additionally, the ultrashort pulses can be utilized to circumvent the damage threshold which set a limit to the incident intensity in X-ray diffraction experiments before. At XFELs, though eventually destroying the investigated sample, no significant sample deterioration happens on the ultrashort timescale of the XFEL pulse and the measured diffraction pattern is due to an (almost) unharmed sample. In the framework of this thesis, the approach of utilizing the highly intense XFEL pulses for X-ray diffraction of weakly-scattering non-crystalline samples was taken to the limit of small isolated molecules. X-ray diffraction was

  10. Controlled molecules for X-ray diffraction experiments at free-electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Stern, Stephan

    2013-12-15

    X-ray diffractive imaging is at the very heart of materials science and has been utilized for decades to solve unknown molecular structures. Nowadays, it serves as the key method of structural biology to solve molecular structures of large biological molecules comprising several thousand or even millions of atoms. However, X-ray diffraction from isolated molecules is very weak. Therefore, the regular and periodic arrangement of a huge number of identical copies of a certain molecule of interest within a crystal lattice has been a necessary condition in order to exploit Bragg diffraction of X-rays. This results in a huge increase in scattered signal and a strongly improved signal-to-noise ratio compared to diffraction from non-crystalline samples. The major bottleneck of structural biology is that many of biologically interesting molecules refuse to form crystals of sufficient size to be used at synchrotron X-ray lightsources. However, novel X-ray free-electron lasers (XFELs), which became operational very recently, promise to address this issue. X-ray pulses provided by XFELs are many orders of magnitude more intense than X-ray pulses from a synchrotron source and at the same time as short as only several tens of femtoseconds. Combined with wavelengths in the nm-pm range, XFELs are well-suited to study ultrafast atomic and molecular dynamics. Additionally, the ultrashort pulses can be utilized to circumvent the damage threshold which set a limit to the incident intensity in X-ray diffraction experiments before. At XFELs, though eventually destroying the investigated sample, no significant sample deterioration happens on the ultrashort timescale of the XFEL pulse and the measured diffraction pattern is due to an (almost) unharmed sample. In the framework of this thesis, the approach of utilizing the highly intense XFEL pulses for X-ray diffraction of weakly-scattering non-crystalline samples was taken to the limit of small isolated molecules. X-ray diffraction was

  11. Design and fabrication of micro X-ray diffraction system

    Energy Technology Data Exchange (ETDEWEB)

    Park, Yang Soon; Han, Sun Ho; Kim, Jong Goo; Jee, Kwang Yong

    2006-10-15

    It has been observed that microstructure changes occur at the pellet periphery(rim) of the fuel at very high burn-up. Despite its narrow range (below some hundreds microns in depth), this peripheral region(rim) determines the behaviour of nuclear fuel. To determine lattice parameter with XRD at intervals as small as 30-50 {mu} m in radial direction of irradiated fuel samples, a micro X-ray diffraction system was designed and fabricated. This report describes the micro X-ray diffraction system consisted of an X-ray microbeam alignment system and a sample micro translation system, its characterization, and its performance test through the analysis for the micro region of some specimens. This system will be set in a radiation shielded glove box, and then used for analysis of lattice parameter change and the phase change at intervals as small as 30-50 {mu} m in radial direction of the rim of an irradiated fuel sample and a fuel cladding.

  12. Design and fabrication of micro X-ray diffraction system

    International Nuclear Information System (INIS)

    Park, Yang Soon; Han, Sun Ho; Kim, Jong Goo; Jee, Kwang Yong

    2006-10-01

    It has been observed that microstructure changes occur at the pellet periphery(rim) of the fuel at very high burn-up. Despite its narrow range (below some hundreds microns in depth), this peripheral region(rim) determines the behaviour of nuclear fuel. To determine lattice parameter with XRD at intervals as small as 30-50 μ m in radial direction of irradiated fuel samples, a micro X-ray diffraction system was designed and fabricated. This report describes the micro X-ray diffraction system consisted of an X-ray microbeam alignment system and a sample micro translation system, its characterization, and its performance test through the analysis for the micro region of some specimens. This system will be set in a radiation shielded glove box, and then used for analysis of lattice parameter change and the phase change at intervals as small as 30-50 μ m in radial direction of the rim of an irradiated fuel sample and a fuel cladding

  13. Workshop report on new directions in x-ray scattering

    International Nuclear Information System (INIS)

    Brown, G.; Del Grande, N.K.; Fuoss, P.; Mallett, J.H.; Pratt, R.; Templeton, D.

    1987-01-01

    This report is a summary of the Workshop on New Directions in X-Ray Scattering held at the Asilomar Conference Center, Pacific Grove, California, April 2-5, 1985. The report primarily consists of the edited transcript of the final review session of the workshop, in which members of a panel summarized the proceedings. It is clear that we are close to achieving an accurate theory of scattering in independent particle approximation, but for edge regions, there is need to go beyond this approach. Much of what is experimentally interesting in scattering is occurring between the photoabsorption edge and the photoelectric threshold. Applications in condensed matter and biological and chemical material studies are expanding, exploiting higher intensity sources and faster time resolution as in magnetic scattering and surface studies. Storage rings are now conventional sources, and new high-intensity beam lines are under development; the free electron laser is one of the more speculative sources. Recent work in x-ray scattering has led to advances in x-ray optics, and conversely, advances in x-ray optics have benefitted our understanding of x-ray scattering

  14. Diffraction enhanced kinetic depth X-ray imaging

    Science.gov (United States)

    Dicken, A.

    An increasing number of fields would benefit from a single analytical probe that can characterise bulk objects that vary in morphology and/or material composition. These fields include security screening, medicine and material science. In this study the X-ray region is shown to be an effective probe for the characterisation of materials. The most prominent analytical techniques that utilise X-radiation are reviewed. The study then focuses on methods of amalgamating the three dimensional power of kinetic depth X-ray (KDFX) imaging with the materials discrimination of angular dispersive X-ray diffraction (ADXRD), thus providing KDEX with a much needed material specific counterpart. A knowledge of the sample position is essential for the correct interpretation of diffraction signatures. Two different sensor geometries (i.e. circumferential and linear) that are able to collect end interpret multiple unknown material diffraction patterns and attribute them to their respective loci within an inspection volume are investigated. The circumferential and linear detector geometries are hypothesised, simulated and then tested in an experimental setting with the later demonstrating a greater ability at discerning between mixed diffraction patterns produced by differing materials. Factors known to confound the linear diffraction method such as sample thickness and radiation energy have been explored and quantified with a possible means of mitigation being identified (i.e. via increasing the sample to detector distance). A series of diffraction patterns (following the linear diffraction approach) were obtained from a single phantom object that was simultaneously interrogated via KDEX imaging. Areas containing diffraction signatures matched from a threat library have been highlighted in the KDEX imagery via colour encoding and match index is inferred by intensity. This union is the first example of its kind and is called diffraction enhanced KDEX imagery. Finally an additional

  15. Neutron and X-ray diffraction from modulated structures

    International Nuclear Information System (INIS)

    Harris, P.

    1994-07-01

    This thesis describes X-ray and neutron scattering experiments performed on two examples of modulated structures. After an introduction to the subject of modulated structures, the thesis is divided in three parts. A single crystal elastic neutron scattering experiment between 4.2 and 115 Κ has been performed and four-circle X-ray data have been collected at 8 Κ for the monoclinic low-temperature phase of the layered perovskite PAMC. The results from the neutron scattering experiment indicate that magnetoelastic effects influence the ordering of the crystal. The X-ray experiments have made it possible to determine the crystal structure in the low-temperature phase. The superspace group is P2 1 /b(β-30)Os, with β = 1/3. A small-angle neutron scattering experiment has been performed on the magnetic structure of manganese silicide. When a magnetic field is applied, the modulation vectors turn towards the field direction, showing domain growth and diverging peak widths as they approach the field direction. Phase 'A' is established to have the modulation vectors directed perpendicular to the field direction. Cooling in zero field shows increasing peak widths at low temperatures, indicating a lock-in transition below the lowest reached temperature. To be able to analyse the data of the magnetic order in MnSi, and analytical calculation of the three dimensional resolution function for a small-angle neutron scattering spectrometer has been performed. The calculation is done by application of a combination of phase space analysis and Gaussian approximations for the neutron distribution as well as for the transmission functions of the different apertures. A finite mosaic spread of the crystal and finite correlation widths of the Bragg reflections have been included in the cross section. (au) (3 tabs., 48 ills., 100 refs.)

  16. Multiple X-ray tomography using transmitted, scattered and fluorescent radiation

    International Nuclear Information System (INIS)

    Cesareo, R.; Brunetti, A.; Golosio, B.; Lopes, R.T.; Barroso, R.C.; Donativi, M.; Castellano, A.; Quarta, S.

    2003-01-01

    A multiple CT-scanner is described, which contemporaneously uses transmitted, scattered and fluorescent X-rays for Imaging. The scanner is characterized by a small size X-ray tube and by four detectors: a ''pencil'' X-ray NaI(Tl) for transmitted tomography, a larger size NaI(Tl) for 90 C o Compton tomography, a thermoelectrically cooled Si-PIN or CdZnTe for fluorescent imaging and a CdZnTe for Rayleigh (or diffraction) tomography. Examples of applications are shown

  17. X-ray Diffraction from Isolated and Strongly Aligned Gas-Phase Molecules with a Free-Electron Laser

    DEFF Research Database (Denmark)

    Küpper, Jochen; Stern, Stephan; Holmegaard, Lotte

    2014-01-01

    We report experimental results on x-ray diffraction of quantum-state-selected and strongly aligned ensembles of the prototypical asymmetric rotor molecule 2,5-diiodobenzonitrile using the Linac Coherent Light Source. The experiments demonstrate first steps toward a new approach to diffractive...... imaging of distinct structures of individual, isolated gas-phase molecules. We confirm several key ingredients of single molecule diffraction experiments: the abilities to detect and count individual scattered x-ray photons in single shot diffraction data, to deliver state-selected, e. g., structural......-isomer-selected, ensembles of molecules to the x-ray interaction volume, and to strongly align the scattering molecules. Our approach, using ultrashort x-ray pulses, is suitable to study ultrafast dynamics of isolated molecules....

  18. X-ray diffraction imaging of biological cells

    CERN Document Server

    Nakasako, Masayoshi

    2018-01-01

    In this book, the author describes the development of the experimental diffraction setup and structural analysis of non-crystalline particles from material science and biology. Recent advances in X-ray free electron laser (XFEL)-coherent X-ray diffraction imaging (CXDI) experiments allow for the structural analysis of non-crystalline particles to a resolution of 7 nm, and to a resolution of 20 nm for biological materials. Now XFEL-CXDI marks the dawn of a new era in structural analys of non-crystalline particles with dimensions larger than 100 nm, which was quite impossible in the 20th century. To conduct CXDI experiments in both synchrotron and XFEL facilities, the author has developed apparatuses, named KOTOBUKI-1 and TAKASAGO-6 for cryogenic diffraction experiments on frozen-hydrated non-crystalline particles at around 66 K. At the synchrotron facility, cryogenic diffraction experiments dramatically reduce radiation damage of specimen particles and allow tomography CXDI experiments. In addition, in XFEL ex...

  19. Interference between magnetism and surface roughness in coherent soft X-ray scattering

    International Nuclear Information System (INIS)

    Rahmim, A.; Tixier, S.; Tiedje, T.; Eisebitt, S.; Lorgen, M.; Scherer, R.; Eberhardt, W.; Luning, J.; Scholl, A.

    2002-01-01

    In coherent soft x-ray scattering from magnetically ordered surfaces there are contributions to the scattering from the magnetic domains, from the surface roughness, and from the diffraction associated with the pinhole aperture used as a coherence filter. In the present work, we explore the interplay between these contributions by analyzing speckle patterns in diffusely scattered x rays from the surface of magnetic thin films. Magnetic contrast from the surface of anti ferro magnetically ordered LaFeO3 films is caused by magnetic linear dichroism in resonant x-ray scattering. The samples studied possess two types of domains with their magnetic orientations perpendicular to each other. By tuning the x-ray energy from one of the two Fe-L3 resonant absorption peaks to the other, the relative amplitudes of the x-ray scattering from the two domains is inverted which results in speckle pattern changes. A theoretical expression is derived for the intensity correlation between the speckle patterns with the magnetic contrast inverted and not inverted. The model is found to be in good agreement with the x-ray-scattering observations and independent measurements of the surface roughness. An analytical expression for the correlation function gives an explicit relation between the change in the speckle pattern and the roughness, and magnetic and aperture scattering. Changes in the speckle pattern are shown to arise from beating of magnetic scattering with the roughness scattering and diffraction from the aperture. The largest effect is found when the surface roughness scatter is comparable in intensity to the magnetic scatter

  20. Resonance magnetic x-ray scattering study of erbium

    DEFF Research Database (Denmark)

    Sanyal, M.K.; Gibbs, D.; Bohr, J.

    1994-01-01

    The magnetic phases of erbium have been studied by resonance x-ray-scattering techniques. When the incident x-ray energy is tuned near the L(III) absorption edge, large resonant enhancements of the magnetic scattering are observed above 18 K. We have measured the energy and polarization dependence...... of this magnetic scattering and analyzed it using a simple model based on electric dipole and quadrupole transitions among atomic orbitals. The line shapes can be fitted to a magnetic structure combining both c-axis-modulated and basal-plane components. Below 18 K, we have observed unusual behavior of the magnetic...

  1. Resonant diffuse X-ray scattering from magnetic multilayers

    International Nuclear Information System (INIS)

    Spezzani, Carlo; Torelli, Piero; Delaunay, Renaud; Hague, C.F.; Petroff, Frederic; Scholl, Andreas; Gullikson, E.M.; Sacchi, Maurizio

    2004-01-01

    We have measured field-dependent resonant diffuse scattering from a magnetoresistive Co/Cu multilayer. We have observed that the magnetic domain size in zero field depends on the magnetic history of the sample. The results of the X-ray scattering analysis have been compared to PEEM images of the magnetic domains

  2. Small angle X-ray scattering from hydrating tricalcium silicate

    International Nuclear Information System (INIS)

    Vollet, D.

    1983-01-01

    The small-angle X-ray scattering technique was used to study the structural evolution of hydrated tricalcium silicate at room temperature. The changes in specific area of the associated porosity and the evolution of density fluctuations in the solid hydrated phase were deduced from the scattering data. A correlation of these variations with the hydration mechanism is tried. (Author) [pt

  3. Low angle X-ray scattering

    International Nuclear Information System (INIS)

    Torrianni, I.L.

    1983-01-01

    The theoretical and experimental problems appearing in diffraction experiments at very low angles by several kinds of materials are discussed. The importance of synchrotron radiation in such problems is shown. (L.C.) [pt

  4. Diamond-anvil cell for radial x-ray diffraction

    International Nuclear Information System (INIS)

    Chesnut, G N; Schiferl, D; Streetman, B D; Anderson, W W

    2006-01-01

    We have designed a new diamond-anvil cell capable of radial x-ray diffraction to pressures of a few hundred GPa. The diffraction geometry allows access to multiple angles of Ψ, which is the angle between each reciprocal lattice vector g(hkl) and the compression axis of the cell. At the 'magic angle', Ψ∼54.7 0 , the effects of deviatoric stresses on the interplanar spacings, d(hkl), are significantly reduced. Because the systematic errors, which are different for each d(hkl), are significantly reduced, the crystal structures and the derived equations of state can be determined reliably. At other values of Ψ, the effects of deviatoric stresses on the diffraction pattern could eventually be used to determine elastic constants

  5. X-ray diffraction measurements in KCl shocked along [100

    International Nuclear Information System (INIS)

    D'Almeida, T.; Gupta, Y.M.

    2000-01-01

    Real time x-ray diffraction measurements were used to examine the polymorphic phase transformation in KCl shocked along the [100] direction. Shock wave continuum data, obtained previously by Hayes, were used to design the experiments and to predict diffraction from KCl shocked to different peak stresses. Here, we present the results obtained below the transition stress: between 1.4 and 2 GPa. Diffraction data obtained were quantitatively related to macroscopic compression. Interplanar spacing measurements revealed isotropic compression of the unit cell in contrast to previously reported results. Above the transition stress, descriptions of the atomic arrangement with respect to shock propagation (not available in the literature) are required for setting up the detection system. Hence, continuum results in combination with various crystallographic considerations were utilized to obtain data above the transition stress

  6. X-ray diffraction of multilayers and superlattices

    International Nuclear Information System (INIS)

    Bartels, W.J.; Hornstra, J.; Lobeek, D.J.W.

    1986-01-01

    Recursion formulae for calculating the reflected amplitude ratio of multilayers and superlattices have been derived from the Takagi-Taupin differential equations, which describe the dynamical diffraction of X-rays in deformed crystals. Calculated rocking curves of complicated layered structures, such as non-ideal superlattices on perfect crystals, are shown to be in good agreement with observed diffraction profiles. The kinematical theory can save computing time only in the case of an ideal superlattice, for which a geometric series can be used, but the reflections must be below 10% so that multiple reflections can be neglected. For a perfect crystal of arbitrary thickness the absorption at the center of the dynamical reflection is found to be proportional to the square root of the reflectivity. Sputter-deposited periodic multilayers of tungsten and carbon can be considered as an artificial crystal, for which dynamical X-ray diffraction calculations give results very similar to those of a macroscopic optical description in terms of the complex index of refraction and Fresnel reflection coefficients. (orig.)

  7. Modern trends in x-ray powder diffraction

    International Nuclear Information System (INIS)

    Goebel, H.E.; Snyder, R.L.

    1985-01-01

    The revival of interest in X-ray powder diffraction, being quoted as a metamorphosis from the 'ugly duckling' to a 'beautiful swan', can be attributed to a number of modern developments in instrumentation and evaluation software. They result in faster data collection, improved accuracy and resolution, and better detectability of minor phases. The ease of data evaluation on small computers coupled direct to the instrument allows convenient execution of previously tedious and time-consuming off-line tasks like qualitative and quantitative analysis, characterization of microcrystalline properties, indexing, and lattice-constant refinements, as well as structure refinements or even exploration of new crystal structures. Powder diffraction has also progressed from an isolated analytical laboratory method to an in situ technique for analysing solid-state reactions or for the on-stream control of industrial processes. The paper surveys these developments and their real and potential applications, and tries to emphasize new trends that are regarded as important steps for the further progress of X-ray powder diffraction

  8. A CMOS active pixel sensor system for laboratory- based x-ray diffraction studies of biological tissue

    International Nuclear Information System (INIS)

    Bohndiek, Sarah E; Cook, Emily J; Arvanitis, Costas D; Olivo, Alessandro; Royle, Gary J; Clark, Andy T; Prydderch, Mark L; Turchetta, Renato; Speller, Robert D

    2008-01-01

    X-ray diffraction studies give material-specific information about biological tissue. Ideally, a large area, low noise, wide dynamic range digital x-ray detector is required for laboratory-based x-ray diffraction studies. The goal of this work is to introduce a novel imaging technology, the CMOS active pixel sensor (APS) that has the potential to fulfil all these requirements, and demonstrate its feasibility for coherent scatter imaging. A prototype CMOS APS has been included in an x-ray diffraction demonstration system. An industrial x-ray source with appropriate beam filtration is used to perform angle dispersive x-ray diffraction (ADXRD). Optimization of the experimental set-up is detailed including collimator options and detector operating parameters. Scatter signatures are measured for 11 different materials, covering three medical applications: breast cancer diagnosis, kidney stone identification and bone mineral density calculations. Scatter signatures are also recorded for three mixed samples of known composition. Results are verified using two independent models for predicting the APS scatter signature: (1) a linear systems model of the APS and (2) a linear superposition integral combining known monochromatic scatter signatures with the input polychromatic spectrum used in this case. Cross validation of experimental, modelled and literature results proves that APS are able to record biologically relevant scatter signatures. Coherent scatter signatures are sensitive to multiple materials present in a sample and provide a means to quantify composition. In the future, production of a bespoke APS imager for x-ray diffraction studies could enable simultaneous collection of the transmitted beam and scattered radiation in a laboratory-based coherent scatter system, making clinical transfer of the technique attainable

  9. 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

  10. Automation of a Guinier camera for X-ray diffraction

    International Nuclear Information System (INIS)

    Duijn, J.H.

    1988-01-01

    The automation of a Guinier X-ray diffraction camera is discussed. The photographic plate in the conventional setup has been replaced by a curved proportional counter (CPC) which has an electronic readout system. As a result the recording time has been reduced from a few hours to a few minutes. The construction and optimum dimensions of the CPC are discussed and the most essential parts of the readout electronics are highlighted. A linewidth of 200 μm FWHM and an accuracy of 30 μm are achieved. 45 refs.; 53 figs.; 4 tabs

  11. Accidental exposure with X-ray diffraction equipment

    International Nuclear Information System (INIS)

    Montanez, O.; Blanco, D.

    1991-01-01

    The shutter on one of the windows of an X-ray diffraction apparatus was accidentally left open, exposing the worker to the radiation. The worker was wearing a dosimeter film, which was processed immediately to evaluate the potential risk. It was determined that the exposure rate was 350 Roentgen/minute on the skin surface, with corrections being made for the worker's thin clothing. It was concluded that in spite of the worker receiving a relative high dose, it did not reach the threshold value for producing deterministic effects such as cataracts, erythema, and skin damage

  12. New methods of X-ray diffraction spectrometry. II

    International Nuclear Information System (INIS)

    Soerum, H.; Bremer, J.

    1980-01-01

    The construction principles for a flexible X-ray spectrometer can be equipped either with a single curved crystal or with two curved crystals are described. A few of the theoretical 4+32 possible working modes are selected for a closer investigation and examples of recorded spectra are given. It is shown in the general single-crystal case that for a wavelength close to a cut-off energy the narrow diffraction cone has an elliptic section, as predicted by the theory. The spectrometer is discussed in terms of intensity, resolution and dispersive power. A comparison with other types of spectrometer is made. (Auth.)

  13. Powder X-ray diffraction study af alkali alanates

    DEFF Research Database (Denmark)

    Cao, Thao; Mosegaard Arnbjerg, Lene; Jensen, Torben René

    Powder X-ray diffraction study of alkali alanates Thao Cao, Lene Arnbjerg, Torben R. Jensen. Center for Materials Crystallography (CMC), Center for Energy Materials (CEM), iNANO and Department of Chemistry, Aarhus University, DK-8000, Denmark. Abstract: To meet the energy demand in the future...... for mobile applications, new materials with high gravimetric and volumetric storage capacity of hydrogen have to be developed. Alkali alanates are promising for hydrogen storage materials. Sodium alanate stores hydrogen reversibly at moderate conditions when catalysed with, e.g. titanium, whereas potassium...

  14. X-ray scattering signatures of β-thalassemia

    International Nuclear Information System (INIS)

    Desouky, Omar S.; Elshemey, Wael M.; Selim, Nabila S.

    2009-01-01

    X-ray scattering from lyophilized proteins or protein-rich samples is characterized by the presence of two characteristic broad peaks at scattering angles equivalent to momentum transfer values of 0.27 and 0.6 nm -1 , respectively. These peaks arise from the interference of coherently scattered photons. Once the conformation of a protein is changed, these two peaks reflect such change with considerable sensitivity. The present work examines the possibility of characterizing the most common cause of hemolytic anaemia in Egypt and many Mediterranean countries; β-thalassemia, from its X-ray scattering profile. This disease emerges from a genetic defect causing reduced rate in the synthesis of one of the globin chains that make up hemoglobin. As a result, structurally abnormal hemoglobin molecules are formed. In order to detect such molecular disorder, hemoglobin samples of β-thalassemia patients are collected, lyophilized and measured using a conventional X-ray diffractometer. Results show significant differences in the X-ray scattering profiles of most of the diseased samples compared to control. The shape of the first scattering peak at 0.27 nm -1 , in addition to the relative intensity of the first to the second scattering peaks, provides the most reliable signs of abnormality in diseased samples. The results are interpreted and confirmed with the aid of Fourier Transform Infrared (FTIR) spectroscopy of normal and thalassemia samples.

  15. X-ray scattering signatures of β-thalassemia

    Science.gov (United States)

    Desouky, Omar S.; Elshemey, Wael M.; Selim, Nabila S.

    2009-08-01

    X-ray scattering from lyophilized proteins or protein-rich samples is characterized by the presence of two characteristic broad peaks at scattering angles equivalent to momentum transfer values of 0.27 and 0.6 nm -1, respectively. These peaks arise from the interference of coherently scattered photons. Once the conformation of a protein is changed, these two peaks reflect such change with considerable sensitivity. The present work examines the possibility of characterizing the most common cause of hemolytic anaemia in Egypt and many Mediterranean countries; β-thalassemia, from its X-ray scattering profile. This disease emerges from a genetic defect causing reduced rate in the synthesis of one of the globin chains that make up hemoglobin. As a result, structurally abnormal hemoglobin molecules are formed. In order to detect such molecular disorder, hemoglobin samples of β-thalassemia patients are collected, lyophilized and measured using a conventional X-ray diffractometer. Results show significant differences in the X-ray scattering profiles of most of the diseased samples compared to control. The shape of the first scattering peak at 0.27 nm -1, in addition to the relative intensity of the first to the second scattering peaks, provides the most reliable signs of abnormality in diseased samples. The results are interpreted and confirmed with the aid of Fourier Transform Infrared (FTIR) spectroscopy of normal and thalassemia samples.

  16. X-ray scattering signatures of {beta}-thalassemia

    Energy Technology Data Exchange (ETDEWEB)

    Desouky, Omar S. [Radiation Physics Department, National Center for Radiation Research and Technology (NCRRT) (Egypt); Elshemey, Wael M. [Biophysics Department, Faculty of Science, Cairo University (Egypt)], E-mail: waelelshemey@yahoo.com; Selim, Nabila S. [Radiation Physics Department, National Center for Radiation Research and Technology (NCRRT) (Egypt)

    2009-08-11

    X-ray scattering from lyophilized proteins or protein-rich samples is characterized by the presence of two characteristic broad peaks at scattering angles equivalent to momentum transfer values of 0.27 and 0.6 nm{sup -1}, respectively. These peaks arise from the interference of coherently scattered photons. Once the conformation of a protein is changed, these two peaks reflect such change with considerable sensitivity. The present work examines the possibility of characterizing the most common cause of hemolytic anaemia in Egypt and many Mediterranean countries; {beta}-thalassemia, from its X-ray scattering profile. This disease emerges from a genetic defect causing reduced rate in the synthesis of one of the globin chains that make up hemoglobin. As a result, structurally abnormal hemoglobin molecules are formed. In order to detect such molecular disorder, hemoglobin samples of {beta}-thalassemia patients are collected, lyophilized and measured using a conventional X-ray diffractometer. Results show significant differences in the X-ray scattering profiles of most of the diseased samples compared to control. The shape of the first scattering peak at 0.27 nm{sup -1}, in addition to the relative intensity of the first to the second scattering peaks, provides the most reliable signs of abnormality in diseased samples. The results are interpreted and confirmed with the aid of Fourier Transform Infrared (FTIR) spectroscopy of normal and thalassemia samples.

  17. Studies of oxide-based thin-layered heterostructures by X-ray scattering methods

    Energy Technology Data Exchange (ETDEWEB)

    Durand, O. [Thales Research and Technology France, Route Departementale 128, F-91767 Palaiseau Cedex (France)]. E-mail: olivier.durand@thalesgroup.com; Rogers, D. [Nanovation SARL, 103 bis rue de Versailles 91400 Orsay (France); Universite de Technologie de Troyes, 10-12 rue Marie Curie, 10010 (France); Teherani, F. Hosseini [Nanovation SARL, 103 bis rue de Versailles 91400 Orsay (France); Andrieux, M. [LEMHE, ICMMOCNRS-UMR 8182, Universite d' Orsay, Batiment 410, 91410 Orsay (France); Modreanu, M. [Tyndall National Institute, Lee Maltings, Prospect Row, Cork (Ireland)

    2007-06-04

    Some X-ray scattering methods (X-ray reflectometry and Diffractometry) dedicated to the study of thin-layered heterostructures are presented with a particular focus, for practical purposes, on the description of fast, accurate and robust techniques. The use of X-ray scattering metrology as a routinely working non-destructive testing method, particularly by using procedures simplifying the data-evaluation, is emphasized. The model-independent Fourier-inversion method applied to a reflectivity curve allows a fast determination of the individual layer thicknesses. We demonstrate the capability of this method by reporting X-ray reflectometry study on multilayered oxide structures, even when the number of the layers constitutive of the stack is not known a-priori. Fast Fourier transform-based procedure has also been employed successfully on high resolution X-ray diffraction profiles. A study of the reliability of the integral-breadth methods in diffraction line-broadening analysis applied to thin layers, in order to determine coherent domain sizes, is also reported. Examples from studies of oxides-based thin-layers heterostructures will illustrate these methods. In particular, X-ray scattering studies performed on high-k HfO{sub 2} and SrZrO{sub 3} thin-layers, a (GaAs/AlOx) waveguide, and a ZnO thin-layer are reported.

  18. Investigation of mosaicity of epitaxic multilayers by the statistical theory of X-ray dynamical diffraction

    International Nuclear Information System (INIS)

    Li Ming; Mai Zhenhong; Li Jianhua; Li Chaorong; Cui Shufan

    1995-01-01

    Based on the statistical theory of X-ray dynamical diffraction for thin films, the mosaicity of three types of semiconductor epitaxic layers has been investigated by analyzing their rocking curves by the X-ray double-crystal diffraction method. It is shown that the statistical theory can provide quantitative information on the mosaicity of the epitaxic layers such as the mean size and the mean disorientation of mosaic blocks in the layers. Some misunderstandings in interpreting experimental data are cleared up by taking into account the effect of diffuse scattering. It is emphasized that attempts to obtain structural parameters of specimens from their rocking curves by means of the Takagi-Taupin equations for coherent fields only are not strictly correct since diffuse scattering causes additional changes in the tails of the rocking curves. (orig.)

  19. Application of small-angle X-ray scattering for differentiation among breast tumors

    International Nuclear Information System (INIS)

    Changizi, V.; Kheradmand, A. Arab; Oghabian, M.A.

    2008-01-01

    Small-angle X-ray scattering (SAXS) is an X-ray diffraction-based technique where a narrow collimated beam of X-rays is focused onto a sample and the scattered X-rays recorded by a detector. The pattern of the scattered X-rays carries information on the molecular structure of the material. As breast cancer is the most widespread cancer in women and differentiation among its tumors is important, this project compared the results of coherent X-ray scattering measurements obtained from benign and malignant breast tissues. The energy-dispersive method with a setup including X-ray tube, primary collimator, sample holder, secondary collimator and high-purity germanium (HpGe) detector was used. One hundred thirty-one breast-tissue samples, including normal, fibrocystic changes and carcinoma, were studied at the 6 deg scattering angle. Diffraction profiles (corrected scattered intensity versus momentum transfer) of normal, fibrocystic changes and carcinoma were obtained. These profiles showed a few peak positions for adipose (1.15 ± 0.06 nm -1 ), mixed normal (1.15 ± 0.06 nm -1 and 1.4 ± 0.04 nm -1 ), fibrocystic changes (1.46 ± 0.05 nm -1 and 1.74 ± 0.04 nm -1 ) and carcinoma (1.55 ± 0.04 nm -1 , 1.73 ± 0.06 nm -1 , 1.85 ± 0.05 nm -1 ). We were able to differentiate between normal, fibrocystic changes (benign) and carcinoma (malignant) breast tissues by SAXS. However, we were unable to differentiate between different types of carcinoma. (author)

  20. Application of small-angle X-ray scattering for differentiation among breast tumors

    Directory of Open Access Journals (Sweden)

    Changizi V

    2008-01-01

    Full Text Available Small-angle X-ray scattering (SAXS is an X-ray diffraction-based technique where a narrow collimated beam of X-rays is focused onto a sample and the scattered X-rays recorded by a detector. The pattern of the scattered X-rays carries information on the molecular structure of the material. As breast cancer is the most widespread cancer in women and differentiation among its tumors is important, this project compared the results of coherent X-ray scattering measurements obtained from benign and malignant breast tissues. The energy-dispersive method with a setup including X-ray tube, primary collimator, sample holder, secondary collimator and high-purity germanium (HpGe detector was used. One hundred thirty-one breast-tissue samples, including normal, fibrocystic changes and carcinoma, were studied at the 6° scattering angle. Diffraction profiles (corrected scattered intensity versus momentum transfer of normal, fibrocystic changes and carcinoma were obtained. These profiles showed a few peak positions for adipose (1.15 ± 0.06 nm -1 , mixed normal (1.15 ± 0.06 nm -1 and 1.4 ± 0.04 nm -1 , fibrocystic changes (1.46 ± 0.05 nm -1 and 1.74 ± 0.04 nm -1 and carcinoma (1.55 ± 0.04 nm -1 , 1.73 ± 0.06 nm -1 , 1.85 ± 0.05 nm -1 . We were able to differentiate between normal, fibrocystic changes (benign and carcinoma (malignant breast tissues by SAXS. However, we were unable to differentiate between different types of carcinoma.

  1. X-ray holography with an atomic scatterer

    Energy Technology Data Exchange (ETDEWEB)

    Mityureva, A.A.; Smirnov, V.V., E-mail: valery_smirnov@mail.ru

    2016-08-15

    X-ray holography scheme with reference scatterer consisting of heavy atom as reference center and its link to an object consisting of several light atoms and using controlled variation of the alignment is represented. The scheme can reproduce an object in three dimensions with atomic resolution. The distorting factors of reconstruction are considered. - Highlights: • X-ray holography scheme with a reference wave formed by atomic scatterer. • 3D object reconstruction with atomic resolution from the set of holograms. • Simple formula for the distorting factor in reconstruction.

  2. Collagen imaged by Coherent X-ray Diffraction: towards a complementary tool to conventional scanning SAXS

    International Nuclear Information System (INIS)

    Berenguer de la Cuesta, Felisa; Bean, Richard J; Bozec, Laurent; Robinson, Ian K; McCallion, Catriona; Wallace, Kris; Hiller, Jen C; Terrill, Nicholas J

    2010-01-01

    Third generation x-ray sources offer unique possibilities for exploiting coherence in the study of materials. New insights in the structure and dynamics of soft condensed matter and biological samples can be obtained by coherent x-ray diffraction (CXD). However, the experimental procedures for applying these methods to collagen tissues are still under development. We present here an investigation for the optimal procedure in order to obtain high quality CXD data from collagen tissues. Sample handling and preparation and adequate coherence defining apertures are among the more relevant factors to take into account. The impact of the results is also discussed, in particular in comparison with the information that can be extracted from conventional scanning small angle x-ray scattering (SAXS). Images of collagen tissues obtained by CXD reconstructions will give additional information about the local structure with higher resolution and will complement scanning SAXS images.

  3. Collagen imaged by Coherent X-ray Diffraction: towards a complementary tool to conventional scanning SAXS

    Energy Technology Data Exchange (ETDEWEB)

    Berenguer de la Cuesta, Felisa; Bean, Richard J; Bozec, Laurent; Robinson, Ian K [London Centre for Nanotechnology (LCN), University College London (UCL), London WC1H 0AH (United Kingdom); McCallion, Catriona; Wallace, Kris [Department of Physics and Astronomy, University College London (UCL), London WC1E 6BT (United Kingdom); Hiller, Jen C; Terrill, Nicholas J, E-mail: f.berenguer@ucl.ac.u [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom)

    2010-10-01

    Third generation x-ray sources offer unique possibilities for exploiting coherence in the study of materials. New insights in the structure and dynamics of soft condensed matter and biological samples can be obtained by coherent x-ray diffraction (CXD). However, the experimental procedures for applying these methods to collagen tissues are still under development. We present here an investigation for the optimal procedure in order to obtain high quality CXD data from collagen tissues. Sample handling and preparation and adequate coherence defining apertures are among the more relevant factors to take into account. The impact of the results is also discussed, in particular in comparison with the information that can be extracted from conventional scanning small angle x-ray scattering (SAXS). Images of collagen tissues obtained by CXD reconstructions will give additional information about the local structure with higher resolution and will complement scanning SAXS images.

  4. 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.

  5. 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

  6. Femtosecond X-ray diffraction from an aerosolized beam of protein nanocrystals.

    Science.gov (United States)

    Awel, Salah; Kirian, Richard A; Wiedorn, Max O; Beyerlein, Kenneth R; Roth, Nils; Horke, Daniel A; Oberthür, Dominik; Knoska, Juraj; Mariani, Valerio; Morgan, Andrew; Adriano, Luigi; Tolstikova, Alexandra; Xavier, P Lourdu; Yefanov, Oleksandr; Aquila, Andrew; Barty, Anton; Roy-Chowdhury, Shatabdi; Hunter, Mark S; James, Daniel; Robinson, Joseph S; Weierstall, Uwe; Rode, Andrei V; Bajt, Saša; Küpper, Jochen; Chapman, Henry N

    2018-02-01

    High-resolution Bragg diffraction from aerosolized single granulovirus nanocrystals using an X-ray free-electron laser is demonstrated. The outer dimensions of the in-vacuum aerosol injector components are identical to conventional liquid-microjet nozzles used in serial diffraction experiments, which allows the injector to be utilized with standard mountings. As compared with liquid-jet injection, the X-ray scattering background is reduced by several orders of magnitude by the use of helium carrier gas rather than liquid. Such reduction is required for diffraction measurements of small macromolecular nanocrystals and single particles. High particle speeds are achieved, making the approach suitable for use at upcoming high-repetition-rate facilities.

  7. X-ray Diffraction Study of Arsenopyrite at High Pressure

    Energy Technology Data Exchange (ETDEWEB)

    D Fan; M Ma; W Zhou; S Wei; Z Chen; H Xie

    2011-12-31

    The high-pressure X-ray diffraction study of a natural arsenopyrite was investigated up to 28.2 GPa using in situ angle-dispersive X-ray diffraction and a diamond anvil cell at National Synchrotron Light Source, Brookhaven National Laboratory. The 16:3:1 methanol-ethanol-water mixture was used as a pressure-transmitting medium. Pressures were measured using the ruby-fluorescence method. No phase change has been observed up to 28.2 GPa. The isothermal equation of state (EOS) was determined. The values of K{sub 0}, and K'{sub 0} refined with a third-order Birch-Murnaghan EOS are K{sub 0} = 123(9) GPa, and K'{sub 0} = 5.2(8). Furthermore, we confirm that the linear compressibilities ({beta}) along a, b and c directions of arsenopyrite is elastically isotropic ({beta}{sub a} = 6.82 x 10{sup -4}, {beta}{sub b} = 6.17 x 10{sup -4} and {beta}{sub c} = 6.57 x 10{sup -4} GPa{sup -1}).

  8. 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

  9. Probing multi-scale mechanical damage in connective tissues using X-ray diffraction.

    Science.gov (United States)

    Bianchi, Fabio; Hofmann, Felix; Smith, Andrew J; Thompson, Mark S

    2016-11-01

    The accumulation of microstructural collagen damage following repetitive loading is linked to painful and debilitating tendon injuries. As a hierarchical, semi-crystalline material, collagen mechanics can be studied using X-ray diffraction. The aim of the study was to describe multi-structural changes in tendon collagen following controlled plastic damage (5% permanent strain). We used small angle X-ray scattering (SAXS) to interrogate the spacing of collagen molecules within a fibril, and wide angle X-ray scattering (WAXS) to measure molecular strains under macroscopic loading. Simultaneous recordings of SAXS and WAXS patterns, together with whole-tissue strain in physiologically hydrated rat-tail tendons were made during increments of in situ tensile loading. Results showed that while tissue level modulus was unchanged, fibril modulus decreased significantly, and molecular modulus significantly increased. Further, analysis of higher order SAXS peaks suggested structural changes in the gap and overlap regions, possibly localising the damage to molecular cross-links. Our results provide new insight into the fundamental damage processes at work in collagenous tissues and point to new directions for their mitigation and repair. This article reports the first in situ loading synchrotron studies on mechanical damage in collagenous tissues. We provide new insight into the nano- and micro-structural mechanisms of damage processes. Pre-damaged tendons showed differential alteration of moduli at macro, micro and nano-scales as measured using X-ray scattering techniques. Detailed analysis of higher order diffraction peaks suggested damage is localised to molecular cross-links. The results are consistent with previous X-ray scattering studies of tendons and also with recent thermal stability studies on damaged material. Detailed understanding of damage mechanisms is essential in the development of new therapies promoting tissue repair. Copyright © 2016 Acta Materialia Inc

  10. Three-dimensional reciprocal space x-ray coherent scattering tomography of two-dimensional object.

    Science.gov (United States)

    Zhu, Zheyuan; Pang, Shuo

    2018-04-01

    X-ray coherent scattering tomography is a powerful tool in discriminating biological tissues and bio-compatible materials. Conventional x-ray scattering tomography framework can only resolve isotropic scattering profile under the assumption that the material is amorphous or in powder form, which is not true especially for biological samples with orientation-dependent structure. Previous tomography schemes based on x-ray coherent scattering failed to preserve the scattering pattern from samples with preferred orientations, or required elaborated data acquisition scheme, which could limit its application in practical settings. Here, we demonstrate a simple imaging modality to preserve the anisotropic scattering signal in three-dimensional reciprocal (momentum transfer) space of a two-dimensional sample layer. By incorporating detector movement along the direction of x-ray beam, combined with a tomographic data acquisition scheme, we match the five dimensions of the measurements with the five dimensions (three in momentum transfer domain, and two in spatial domain) of the object. We employed a collimated pencil beam of a table-top copper-anode x-ray tube, along with a panel detector to investigate the feasibility of our method. We have demonstrated x-ray coherent scattering tomographic imaging at a spatial resolution ~2 mm and momentum transfer resolution 0.01 Å -1 for the rotation-invariant scattering direction. For any arbitrary, non-rotation-invariant direction, the same spatial and momentum transfer resolution can be achieved based on the spatial information from the rotation-invariant direction. The reconstructed scattering profile of each pixel from the experiment is consistent with the x-ray diffraction profile of each material. The three-dimensional scattering pattern recovered from the measurement reveals the partially ordered molecular structure of Teflon wrap in our sample. We extend the applicability of conventional x-ray coherent scattering tomography to

  11. Quantification of rutile in anatase by X-ray diffraction

    International Nuclear Information System (INIS)

    Chavez R, A.

    2001-01-01

    Nowadays the discovering of new and better materials required in all areas of the industry has been lead to the human being to introduce him to this small and great world. The crystalline materials, have properties markedly directional. When it is necessary to realize a quantitative analysis to these materials the task is not easy. The main objective of this work is the research of a real problem, its solution and perfecting of a technique involving the theoretical and experimental principles which allow the quantification of crystalline phases. The chapter 1 treats about the study of crystalline state during the last century, by means of the X-ray diffraction technique. The chapter 2 studies the nature and production of X-rays, the chapter 3 expounds the principles of the diffraction technique which to carry out when it is satisfied the Bragg law studying the powder diffraction method and its applications. In the chapter 4 it is explained how the intensities of the beams diffracted are determined by the atoms positions inside of the elemental cell of the crystal. The properties of the crystalline samples of anatase and rutile are described in the chapter 5. The results of this last analysis are the information which will be processed by means of the auxiliary software: Diffrac AT, Axum and Peakfit as well as the TAFOR and CUANTI software describing this part with more detail in the chapters 6 and 7 where it is mentioned step by step the function of each software until to reach the quantification of crystalline phases, objective of this work. Finally, in the chapter 8 there are a results analysis and conclusions. The contribution of this work is for those learned institutions of limited resources which can tackle in this way the characterization of materials. (Author)

  12. Anomalous X-ray scattering studies of short-, intermediate- and extended-range order in glasses

    International Nuclear Information System (INIS)

    Price, D.L.; Saboungi, M.L.; Armand, P.; Cox, D.E.

    1998-01-01

    The authors present the formalism of anomalous x-ray scattering as applied to partial structure analysis of disordered materials, and give an example of how the technique has been applied, together with that of neutron diffraction, to investigate short-, intermediate- and extended-range order in vitreous germania and rubidium germanate

  13. Influence of multiple scattering of a relativistic electron in a periodic layered medium on coherent X-ray radiation

    Energy Technology Data Exchange (ETDEWEB)

    Blazhevich, S. V.; Kos’kova, T. V.; Noskov, A. V., E-mail: noskovbupk@mail.ru [Belgorod State National Research University (Russian Federation)

    2016-01-15

    A dynamic theory of coherent X-ray radiation generated in a periodic layered medium by a relativistic electron multiply scattered by target atoms has been developed. The expressions describing the spectral–angular characteristics of parametric X-ray radiation and diffracted transition radiation are derived. Numerical calculations based on the derived expressions have been performed.

  14. Inelastic X-ray scattering activities in Europe

    International Nuclear Information System (INIS)

    Dorner, B.

    1984-01-01

    Inelastic X-ray scattering requires an energy determination before and after the scattering process together with a technique to vary at least one energy continuously in a controlled way. Sufficiently monochromatic beams can only be produced by Bragg reflection from single crystals. Stationary X-ray monochromators are standard equipment of conventional X-ray generators to select a particular characteristic line. Quite often they are curved to focus on the sample or the detector. Devices with variable Bragg angle have been and are used as analyzers in Compton scattering which is inelastic X-ray scattering with moderate resolution. With the rapidly increasing availability of synchrotron radiation (SR) monochromators and analyzers became more and more sophisticated improving momentum (Q) resolution and only somewhat the energy resolution ΔE which stays in the order of eV. Very high energy resolution can only be obtained with Bragg angles Theta near to 90 0 . This field is the topic of the present paper

  15. Basic X-ray scattering for soft matter

    CERN Document Server

    De Jeu, Wim H

    2016-01-01

    X-ray scattering is a well-established technique in materials science. Several excellent textbooks exist in the field, typically written by physicists who use mathematics to make things clear. Often these books do not reach students and scientists in the field of soft matter (polymers, liquid crystals, colloids, and self-assembled organic systems), who usually have a chemical-oriented background with limited mathematics. Moreover, often these people like to know more about x-ray scattering as a technique to be used, but do not necessarily intend to become an expert. This volume is unique in trying to accommodate both points. The aim of the book is to explain basic principles and applications of x-ray scattering in a simple way. The intention is a paperback of limited size that people will like to have on hand rather than on a shelf. Second, it includes a large variety of examples of x-ray scattering of soft matter with, at the end of each chapter, a more elaborate case study. Third, the book contains a separa...

  16. Small angle X-ray scattering from protein in solution

    International Nuclear Information System (INIS)

    Souza, C.F. de; Torriani, I.L.

    1988-01-01

    In this work we report experiments performed with giant respiratory proteins from annelids. X-ray scattering data were obtained both by the use of conventional rotating anod source and synchotron radiation. Data from solutions with several protein concentrations were analyzed. (A.C.A.S.) [pt

  17. X-ray scattering from surfaces of organic crystals

    DEFF Research Database (Denmark)

    Gidalevitz, D.; Feidenhans'l, R.; Smilgies, D.-M.

    1997-01-01

    X-ray scattering experiments have been performed on the surfaces of organic crystals. The (010) cleavage planes of beta-alanine and alpha-glycine were investigated, and both specular and off-specular crystal truncation rods were measured. This allowed a determination of the molecular layering...

  18. Diffuse X-Ray Scattering from Several Platinum Chain Compounds

    DEFF Research Database (Denmark)

    Braude, A.; Lindegaard-Andersen, Asger; Carneiro, K.

    1980-01-01

    Values of the Fermi wavevector for several platinum based one-dimensional conductors were determined from diffuse X-ray scattering measurements. The values were compared with those expected from the chemical compositions. The importance of conclusive values of this parameter is stressed and the c...

  19. Intensity of diffracted X-rays from biomolecules with radiation damage caused by strong X-ray pulses

    International Nuclear Information System (INIS)

    Kai, Takeshi; Tokuhisa, Atsushi; Moribayashi, Kengo; Fukuda, Yuji; Kono, Hidetoshi; Go, Nobuhiro

    2014-01-01

    In order to realize the coherent X-ray diffractive imaging of single biomolecules, the diffraction intensities, per effective pixel of a single biomolecule with radiation damage, caused by irradiation using a strong coherent X-ray pulse, were examined. A parameter survey was carried out for various experimental conditions, using a developed simulation program that considers the effect of electric field ionization, which was slightly reported on in previous studies. The two simple relationships among the parameters were identified as follows: (1) the diffraction intensity of a biomolecule slightly increases with the incident X-ray energy; and that (2) the diffraction intensity is approximately proportional to the target radius, when the radius is longer than 400 Å, since the upper limit of the incident intensity for damage to the biomolecules marginally changes with respect to the target radius. (author)

  20. Variable-metric diffraction crystals for x-ray optics

    International Nuclear Information System (INIS)

    Smither, R.K.; Fernandez, P.B.

    1992-01-01

    A variable-metric (VM) crystal is one in which the spacing between the crystalline planes changes with position in the crystal. This variation can be either parallel to the crystalline planes or perpendicular to the crystalline planes of interest and can be produced by either introducing a thermal gradient in the crystal or by growing a crystal made of two or more elements and changing the relative percentages of the two elements as the crystal is grown. A series of experiments were performed in the laboratory to demonstrate the principle of the variable-metric crystal and its potential use in synchrotron beam lines. One of the most useful applications of the VM crystal is to increase the number of photons per unit bandwidth in a diffracted beam without losing any of the overall intensity. In a normal synchrotron beam line that uses a two-crystal monochromator, the bandwidth of the diffracted photon beam is determined by the vertical opening angle of the beam which is typically 0.10--0.30 mrad or 20--60 arcsec. When the VM crystal approach is applied, the bandwidth of the beam can be made as narrow as the rocking curve of the diffracting crystal, which is typically 0.005--0.050 mrad or 1--10 arcsec. Thus a very large increase of photons per unit bandwidth (or per unit energy) can be achieved through the use of VM crystals. When the VM principle is used with bent crystals, new kinds of x-ray optical elements can be generated that can focus and defocus x-ray beams much like simple lenses where the focal length of the lens can be changed to match its application. Thus both large magnifications and large demagnifications can be achieved as well as parallel beams with narrow bandwidths

  1. 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...

  2. 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,...

  3. Ultrafast coherent diffractive imaging of nanoparticles using X-ray free-electron laser radiation

    International Nuclear Information System (INIS)

    Kassemeyer, Stephan

    2014-01-01

    Coherent diffractive imaging with X-ray free-electron lasers (X-FEL) promises high-resolution structure determination of single microscopic particles without the need for crystallization. The diffraction signal of small samples can be very weak, a difficulty that can not be countered by merely increasing the number of photons because the sample would be damaged by a high absorbed radiation dose. Traditional X-ray crystallography avoids this problem by bringing many sample particles into a periodic arrangement, which amplifies the individual signals while distributing the absorbed dose. Depending on the sample, however, crystallization can be very difficult or even impossible. This thesis presents algorithms for a new imaging approach using X-FEL radiation that works with single, non-crystalline sample particles. X-FELs can deliver X-rays with a peak brilliance many orders of magnitude higher than conventional X-ray sources, compensating for their weak interaction cross sections. At the same time, FELs can produce ultra-short pulses down to a few femtoseconds. In this way it is possible to perform ultra-fast imaging, essentially ''freezing'' the atomic positions in time and terminating the imaging process before the sample is destroyed by the absorbed radiation. This thesis primarily focuses on the three-dimensional reconstruction of single (and not necessarily crystalline) particles using coherent diffractive imaging at X-FELs: in order to extract three-dimensional information from scattering data, two-dimensional diffraction patterns from many different viewing angles must be combined. Therefore, the diffraction signal of many identical sample copies in random orientations is measured. The main result of this work is a globally optimal algorithm that can recover the sample orientations solely based on the diffraction signal, enabling three-dimensional imaging for arbitrary samples. The problem of finding three-dimensional orientations is

  4. Defect properties from X-ray scattering experiments

    International Nuclear Information System (INIS)

    Peisl, H.

    1976-01-01

    Lattice distortions due to defects in crystals can be studied most directly by elastic X-ray or neutron scattering experiments. The 'size' of the defects can be determined from the shift of the Bragg reflections. Defect induced diffuse scattering intensity close to and between Bragg reflections gives information on the strength and symmetry of the distortion fields and yields the atomic structure of point defects (interstitials, vacancies, small aggregates). Diffuse scattering is a very sensitive method to decide whether defects are present as isolated point defects or have formed aggregates. X-ray scattering has been used to study defects produced in various ionic crystals by γ- and neutron irradiation. After an introduction to the principles of the method the experimental results will be reviewed and discussed in some detail. (orig.) [de

  5. Acemetacin cocrystal structures by powder X-ray diffraction

    Science.gov (United States)

    Bolla, Geetha

    2017-01-01

    Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM), p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray diffraction. The powerful technique of structure determination from powder data (SDPD) provided details of molecular packing and hydrogen bonding in pharmaceutical cocrystals of acemetacin. ACM–NAM occurs in anhydrate and hydrate forms, whereas the other structures crystallized in a single crystalline form. The carboxylic acid group of ACM forms theacid–amide dimer three-point synthon R 3 2(9)R 2 2(8)R 3 2(9) with three different syn amides (VLM, 2HP and caprolactam). The conformations of the ACM molecule observed in the crystal structures differ mainly in the mutual orientation of chlorobenzene fragment and the neighboring methyl group, being anti (type I) or syn (type II). ACM hydrate, ACM—NAM, ACM–NAM-hydrate and the piperazine salt of ACM exhibit the type I conformation, whereas ACM polymorphs and other cocrystals adopt the ACM type II conformation. Hydrogen-bond interactions in all the crystal structures were quantified by calculating their molecular electrostatic potential (MEP) surfaces. Hirshfeld surface analysis of the cocrystal surfaces shows that about 50% of the contribution is due to a combination of strong and weak O⋯H, N⋯H, Cl⋯H and C⋯H interactions. The physicochemical properties of these cocrystals are under study. PMID:28512568

  6. Acemetacin cocrystal structures by powder X-ray diffraction

    Directory of Open Access Journals (Sweden)

    Geetha Bolla

    2017-05-01

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

  7. [Diffraction gratings used in x-ray spectroscopy]: Final report

    International Nuclear Information System (INIS)

    Smith, H.I.

    1988-01-01

    This subcontract was initiated in order to facilitate the development at MIT of technologies for fabricating the very fine diffraction grating required in x-ray spectroscopy at Lawrence Livermore Laboratory (LLL). These gratings are generally gold transmission gratings with spatial periods of 200 nm or less. The major focus of our efforts was to develop a means of fabricating gratings of 100 nm period. We explored two approaches: e-beam fabrication of x-ray lithography masks, and achromatic holographic lithography. This work was pursued by Erik Anderson as a major component of his Ph.D. thesis. Erik was successful in both the e-beam and holographic approaches. However, the e-beam method proved to be highly impractical: exposure times of about 115 days would be required to cover an area of 1 cm 2 . The achromatic holography, on the other hand, should be capable of exposing areas well in excess of 1 cm 2 in times under 1 hour. Moreover, 100 nm-period gratings produced by achromatic holography are coherent over their entire area whereas gratings produced by e-beam lithography are coherent only over areas /approximately/100 μm. The remainder of this report consists of portions excerpted from Erik Anderson's thesis. These contain all the details of our work on 100 nm period gratings. 26 refs., 17 figs

  8. Biological imaging by soft X-ray diffraction microscopy

    Science.gov (United States)

    Shapiro, David

    We have developed a microscope for soft x-ray diffraction imaging of dry or frozen hydrated biological specimens. This lensless imaging system does not suffer from the resolution or specimen thickness limitations that other short wavelength microscopes experience. The microscope, currently situated at beamline 9.0.1 of the Advanced Light Source, can collect diffraction data to 12 nm resolution with 750 eV photons and 17 nm resolution with 520 eV photons. The specimen can be rotated with a precision goniometer through an angle of 160 degrees allowing for the collection of nearly complete three-dimensional diffraction data. The microscope is fully computer controlled through a graphical user interface and a scripting language automates the collection of both two-dimensional and three-dimensional data. Diffraction data from a freeze-dried dwarf yeast cell, Saccharomyces cerevisiae carrying the CLN3-1 mutation, was collected to 12 run resolution from 8 specimen orientations spanning a total rotation of 8 degrees. The diffraction data was phased using the difference map algorithm and the reconstructions provide real space images of the cell to 30 nm resolution from each of the orientations. The agreement of the different reconstructions provides confidence in the recovered, and previously unknown, structure and indicates the three dimensionality of the cell. This work represents the first imaging of the natural complex refractive contrast from a whole unstained cell by the diffraction microscopy method and has achieved a resolution superior to lens based x-ray tomographic reconstructions of similar specimens. Studies of the effects of exposure to large radiation doses were also carried out. It was determined that the freeze-dried cell suffers from an initial collapse, which is followed by a uniform, but slow, shrinkage. This structural damage to the cell is not accompanied by a diminished ability to see small features in the specimen. Preliminary measurements on frozen

  9. Thin film growth studies using time-resolved x-ray scattering

    Science.gov (United States)

    Kowarik, Stefan

    2017-02-01

    Thin-film growth is important for novel functional materials and new generations of devices. The non-equilibrium growth physics involved is very challenging, because the energy landscape for atomic scale processes is determined by many parameters, such as the diffusion and Ehrlich-Schwoebel barriers. We review the in situ real-time techniques of x-ray diffraction (XRD), x-ray growth oscillations and diffuse x-ray scattering (GISAXS) for the determination of structure and morphology on length scales from Å to µm. We give examples of time resolved growth experiments mainly from molecular thin film growth, but also highlight growth of inorganic materials using molecular beam epitaxy (MBE) and electrochemical deposition from liquids. We discuss how scaling parameters of rate equation models and fundamental energy barriers in kinetic Monte Carlo methods can be determined from fits of the real-time x-ray data.

  10. Determination of X-ray anomalous scattering in silicon

    International Nuclear Information System (INIS)

    Cusatis, C.

    1987-01-01

    The linear attenuation coeficient for X-ray in silicon was measured with approximately 0,1% accuracy, for 6 diferent wavelenghts of caracteristic radiation. From these result the imaginary parts of the atomic scattering factors, for silicon and for those wavelenghts, were obtained with the same accuracy. The results are compared with the most recent published values. The proposed method to avoid Rayleigh scattering can be used for any type of ''perfect'' crystal. (author) [pt

  11. Small-angle X-ray scattering of solutions

    International Nuclear Information System (INIS)

    Koch, M.H.J.; Stuhrmann, H.B.; Vachette, P.; Tardieu, A.

    1982-01-01

    The use of synchrotron radiation in small-angle X-ray scattering (SAXS) techniques in biological structural studies is described. The main features of the monochromatic radiation systems and the white radiation systems are considered. The detectors, data acquisition and experimental procedures are briefly described. Experimental results are presented for 1) measurements on dilute solutions and weak scatterers, 2) measurement of conformational transitions, 3) contrast variation experiments, 4) time-resolved measurements and 5) complex contrast variation. (U.K.)

  12. Development of general X-ray scattering model

    International Nuclear Information System (INIS)

    Gray, Joe; Wendt, Scott

    2015-01-01

    X-ray scattering is a complex process made difficult to describe due to the effects of a complex energy spectrum interacting with a wide range of material types in complex geometry. The scattering is further complicated by the volume of material illuminated and the experimental configuration of the data acquisition. The importance of accounting for the key physics in scattering modeling is critical to the viability of the model. For example, scattering in the detector and the speed of the detector, as measured by the absorbed dose needed to produce a signal, are important in capturing undercut effects. Another example is the noise properties of the detectors are dependent on photon energy. We report on a semi-empirical treatment of x-ray scattering that includes a full energy treatment for a wide range of material types. We also include complex geometry effects that the part shape introduces. The treatment is based on experimental measurements using an energy dispersive germanium detector over energies from treatment is showing good results with experimental measurements of the scattering component agreeing with the model results to the 10% level over the range of x-ray energies and materials typical in industrial applications. Computation times for this model are in the 20 keV to 320 keV. Detector stripping routines for detector artifacts were developed. The computation time is in the range of a few minutes on a typical PC

  13. X-ray diffraction patterns of thermally-reduced graphenes

    International Nuclear Information System (INIS)

    Ju, Hae-Mi; Choi, Sung-Ho; Huh, Seung-Hun

    2010-01-01

    Thermally-reduced graphenes (GPs) from graphene oxides (GOs) in the range of 200 - 800 .deg. C have been investigated by using X-ray diffraction (XRD). The temperature-dependent evolutions of the (002) peaks show that exfoliation of GO sheets occurs, along with wrinkling, at ∼200 .deg. C and that high-quality GPs are produced at ∼ 600 .deg. C (GP 600 ). These phenomena are explained by the vaporization of intercalated water molecules and the effective removal of the oxide groups of GO by thermal annealing, respectively. GP 600 exhibited a clean and sharp (002) peak corresponding to an interlayer distance of 3.392 A, which is close to that of conventional graphene (∼3.4 A). The structure of GP 600 is further discussed.

  14. Powder X-ray diffraction laboratory, Reston, Virginia

    Science.gov (United States)

    Piatak, Nadine M.; Dulong, Frank T.; Jackson, John C.; Folger, Helen W.

    2014-01-01

    The powder x-ray diffraction (XRD) laboratory is managed jointly by the Eastern Mineral and Environmental Resources and Eastern Energy Resources Science Centers. Laboratory scientists collaborate on a wide variety of research problems involving other U.S. Geological Survey (USGS) science centers and government agencies, universities, and industry. Capabilities include identification and quantification of crystalline and amorphous phases, and crystallographic and atomic structure analysis for a wide variety of sample media. Customized laboratory procedures and analyses commonly are used to characterize non-routine samples including, but not limited to, organic and inorganic components in petroleum source rocks, ore and mine waste, clay minerals, and glassy phases. Procedures can be adapted to meet a variety of research objectives.

  15. X-ray diffraction study of choline chloride's β form

    International Nuclear Information System (INIS)

    Petrouleas, V.; Lemmon, R.M.; Christensen, A.

    1978-01-01

    The organic salt choline chloride exists in two crystalline polymorphs. One (the α form) is extraordinarily sensitive to ionizing radiation, the other (the β form) is not. The present report describes an x-ray diffraction study of the β form. The structure has been found to be highly disordered face centered cubic. A reasonable least-square refinement of the intensity data has been achieved in the centrosymmetric space group Fm3 or Fm3m by use of a molecular model with restrained bond lengths. The results show that in the β form the electronic density due to the choline cation is closely spaced around the N, so that hydrogen bonding to the chloride is unlikely. Comparison with infrared and NMR data indicates that the disordering is dynamic and can be ascribed to rotations of the choline ion around crystallographic symmetry axes. Possible connections of these results with the radiation stability of the β form are discussed

  16. Crystal defect studies using x-ray diffuse scattering

    International Nuclear Information System (INIS)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above

  17. Crystal defect studies using x-ray diffuse scattering

    Energy Technology Data Exchange (ETDEWEB)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.

  18. 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.)

  19. Line x-ray source for diffraction enhanced imaging in clinical and industrial applications

    Science.gov (United States)

    Wang, Xiaoqin

    Mammography is one type of imaging modalities that uses a low-dose x-ray or other radiation sources for examination of breasts. It plays a central role in early detection of breast cancers. The material similarity of tumor-cell and health cell, breast implants surgery and other factors, make the breast cancers hard to visualize and detect. Diffraction enhanced imaging (DEI), first proposed and investigated by D. Chapman is a new x-ray radiographic imaging modality using monochromatic x-rays from a synchrotron source, which produced images of thick absorbing objects that are almost completely free of scatter. It shows dramatically improved contrast over standard imaging when applied to the same phantom. The contrast is based not only on attenuation but also on the refraction and diffraction properties of the sample. This imaging method may improve image quality of mammography, other medical applications, industrial radiography for non-destructive testing and x-ray computed tomography. However, the size, and cost, of a synchrotron source limits the application of the new modality to be applicable at clinical levels. This research investigates the feasibility of a designed line x-ray source to produce intensity compatible to synchrotron sources. It is composed of a 2-cm in length tungsten filament, installed on a carbon steel filament cup (backing plate), as the cathode and a stationary oxygen-free copper anode with molybdenum coating on the front surface serves as the target. Characteristic properties of the line x-ray source were computationally studied and the prototype was experimentally investigated. SIMIION code was used to computationally study the electron trajectories emanating from the filament towards the molybdenum target. A Faraday cup on the prototype device, proof-of-principle, was used to measure the distribution of electrons on the target, which compares favorably to computational results. The intensities of characteristic x-ray for molybdenum

  20. Precise rotational alignment of x-ray transmission diffraction gratings

    International Nuclear Information System (INIS)

    Hill, S.L.

    1988-01-01

    Gold transmission diffraction gratings used for x-ray spectroscopy must sometimes be rotationally aligned to the axis of a diagnostic instrument to within sub-milliradian accuracy. We have fabricated transmission diffraction gratings with high line-densities (grating period of 200 and 300 nm) using uv holographic and x-ray lithography. Since the submicron features of the gratings are not optically visible, precision alignment is time consuming and difficult to verify in situ. We have developed a technique to write an optically visible alignment pattern onto these gratings using a scanning electron microscope (SEM). At high magnification (15000 X) several submicron lines of the grating are observable in the SEM, making it possible to write an alignment pattern parallel to the grating lines in an electron-beam-sensitive coating that overlays the grating. We create an alignment pattern by following a 1-cm-long grating line using the SEM's joystick-controlled translation stage. By following the same grating line we are assured the traveled direction of the SEM electron beam is parallel to the grating to better than 10 μradian. The electron-beam-exposed line-width can be large (5 to 15 μm wide) depending on the SEM magnification, and is therefore optically visible. The exposed pattern is eventually made a permanent feature of the grating by ion beam etching or gold electroplating. The pattern can be used to accurately align the grating to the axis of a diagnostic instrument. More importantly, the alignment of the grating can be quickly verified in situ

  1. Theory of inelastic scattering and absorption of X-rays

    CERN Document Server

    Veenendaal, Michel van

    2015-01-01

    This comprehensive, self-contained guide to X-ray spectroscopy will equip you with everything you need to begin extracting the maximum amount of information available from X-ray spectra. Key topics such as the interaction between X-rays and matter, the basic theory of spectroscopy, and selection and sum rules, are introduced from the ground up, providing a solid theoretical grounding. The book also introduces core underlying concepts such as atomic structure, solid-state effects, the fundamentals of tensor algebra and group theory, many-body interactions, scattering theory, and response functions, placing spectroscopy within a broader conceptual framework, and encouraging a deep understanding of this essential theoretical background. Suitable for graduate students, researchers, materials scientists and optical engineers, this is the definitive guide to the theory behind this powerful and widely used technique.

  2. A high resolution, high counting rate bidimensional, MWPC imaging detector for small angle X-ray diffraction studies

    International Nuclear Information System (INIS)

    Bateman, J.E.; Connolly, J.F.; Sawyer, E.C.; Stephenson, R.

    1981-07-01

    The performance is reported of a 200 mm x 200 mm X-ray imaging MWPC aimed at applications in small angle X-ray diffraction and scattering. With quantum energies of approximately 8 keV high spatial resolution (+- 0.5 mm x +- 0.14 mm) with a capability for data taking at >approximately 350 kHz is reported. The detection efficiency is approximately 75% and the detector operates as a sealed unit with a long lifetime. (author)

  3. Phosphor Scanner For Imaging X-Ray Diffraction

    Science.gov (United States)

    Carter, Daniel C.; Hecht, Diana L.; Witherow, William K.

    1992-01-01

    Improved optoelectronic scanning apparatus generates digitized image of x-ray image recorded in phosphor. Scanning fiber-optic probe supplies laser light stimulating luminescence in areas of phosphor exposed to x rays. Luminescence passes through probe and fiber to integrating sphere and photomultiplier. Sensitivity and resolution exceed previously available scanners. Intended for use in x-ray crystallography, medical radiography, and molecular biology.

  4. X-ray diffraction, inelastic neutron scattering (INS) and infrared (IR) studies on 2:1 hexamethylbenzene (HMB)-tetracyanoethylene (TCNE) complex

    Energy Technology Data Exchange (ETDEWEB)

    Pawlukojc, A. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Institute of Nuclear Chemistry and Technology, ul. Dorodna 16, 03-195 Warsaw (Poland); Sawka-Dobrowolska, W. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Bator, G. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland); Sobczyk, L. [Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw (Poland)], E-mail: sobczyk@chem.uni.wroc.pl; Grech, E. [Institute of Chemistry and Environmental Protection, Szczecin University of Technology, Piastow Al. 12, 71-065 Szczecin (Poland); Nowicka-Scheibe, J. [Institute of Chemistry and Environmental Protection, Szczecin University of Technology, Piastow Al. 12, 71-065 Szczecin (Poland)

    2006-09-11

    The structure of the 2:1 hexamethylbenzene (HMB)-tetracyanoethylene (TCNE) complex was determined at 100 K. In the crystalline lattice the molecules of HMB (D) and TCNE (A) are arranged in DDADDADD stacks along the b-axis. Based on the red shift of the {nu}(C{identical_to}N) IR frequencies the charge transfer (CT) degree (Z) was estimated to be equal to 0.14. It is markedly higher than that for the complex of HMB with tetracyanoquinodimethane (TCNQ) for which Z = 0.06. The analysis of vibrational modes connected with torsional motion in the low frequency region was performed based on the inelastic neutron scattering (INS) experiments and DFT theoretical calculations. The correlation between {nu} {sub exp}/{nu} {sub calc} and {nu} {sub calc} shows a deviation of experimental values from calculated ones. It is the higher the lower is the frequency of the analysed mode. The comparison of correlations for neat HMB and its complexes with TCNQ and TCNE suggests that some role in decreasing the barrier to rotation can be played by the charge transfer between D and A molecules.

  5. X-ray diffraction, inelastic neutron scattering (INS) and infrared (IR) studies on 2:1 hexamethylbenzene (HMB)-tetracyanoethylene (TCNE) complex

    International Nuclear Information System (INIS)

    Pawlukojc, A.; Sawka-Dobrowolska, W.; Bator, G.; Sobczyk, L.; Grech, E.; Nowicka-Scheibe, J.

    2006-01-01

    The structure of the 2:1 hexamethylbenzene (HMB)-tetracyanoethylene (TCNE) complex was determined at 100 K. In the crystalline lattice the molecules of HMB (D) and TCNE (A) are arranged in DDADDADD stacks along the b-axis. Based on the red shift of the ν(C≡N) IR frequencies the charge transfer (CT) degree (Z) was estimated to be equal to 0.14. It is markedly higher than that for the complex of HMB with tetracyanoquinodimethane (TCNQ) for which Z = 0.06. The analysis of vibrational modes connected with torsional motion in the low frequency region was performed based on the inelastic neutron scattering (INS) experiments and DFT theoretical calculations. The correlation between ν exp /ν calc and ν calc shows a deviation of experimental values from calculated ones. It is the higher the lower is the frequency of the analysed mode. The comparison of correlations for neat HMB and its complexes with TCNQ and TCNE suggests that some role in decreasing the barrier to rotation can be played by the charge transfer between D and A molecules

  6. X-ray diffraction, inelastic neutron scattering (INS) and infrared (IR) studies on 2:1 hexamethylbenzene (HMB) tetracyanoethylene (TCNE) complex

    Science.gov (United States)

    Pawlukojć, A.; Sawka-Dobrowolska, W.; Bator, G.; Sobczyk, L.; Grech, E.; Nowicka-Scheibe, J.

    2006-09-01

    The structure of the 2:1 hexamethylbenzene (HMB)-tetracyanoethylene (TCNE) complex was determined at 100 K. In the crystalline lattice the molecules of HMB (D) and TCNE (A) are arranged in DDADDADD stacks along the b-axis. Based on the red shift of the ν(C tbnd N) IR frequencies the charge transfer (CT) degree ( Z) was estimated to be equal to 0.14. It is markedly higher than that for the complex of HMB with tetracyanoquinodimethane (TCNQ) for which Z = 0.06. The analysis of vibrational modes connected with torsional motion in the low frequency region was performed based on the inelastic neutron scattering (INS) experiments and DFT theoretical calculations. The correlation between νexp/ νcalc and νcalc shows a deviation of experimental values from calculated ones. It is the higher the lower is the frequency of the analysed mode. The comparison of correlations for neat HMB and its complexes with TCNQ and TCNE suggests that some role in decreasing the barrier to rotation can be played by the charge transfer between D and A molecules.

  7. X-ray diffraction and X-ray standing-wave study of the lead stearate film structure

    Energy Technology Data Exchange (ETDEWEB)

    Blagov, A. E.; Dyakova, Yu. A.; Kovalchuk, M. V.; Kohn, V. G.; Marchenkova, M. A.; Pisarevskiy, Yu. V.; Prosekov, P. A., E-mail: prosekov@crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2016-05-15

    A new approach to the study of the structural quality of crystals is proposed. It is based on the use of X-ray standing-wave method without measuring secondary processes and considers the multiwave interaction of diffraction reflections corresponding to different harmonics of the same crystallographic reflection. A theory of multiwave X-ray diffraction is developed to calculate the rocking curves in the X-ray diffraction scheme under consideration for a long-period quasi-one-dimensional crystal. This phase-sensitive method is used to study the structure of a multilayer lead stearate film on a silicon substrate. Some specific structural features are revealed for the surface layer of the thin film, which are most likely due to the tilt of the upper layer molecules with respect to the external normal to the film surface.

  8. Nanostructured diffractive optical devices for soft X-ray microscopes

    CERN Document Server

    Hambach, D; Schneider, G

    2001-01-01

    The new transmission X-ray microscope (TXM) installed at the BESSY II electron storage ring uses an off-axis transmission zone plate (OTZ) as diffractive and focusing element of the condenser-monochromator setup. A high resolution micro-zone plate (MZP) forms a magnified image on a CCD-detector. Both, the OTZ with an active area of up to 24 mm sup 2 and the MZP with zone widths as small as 25 nm are generated by a process including electron beam lithography (EBL), dry etching and subsequent electroplating of nickel on top of silicon membrane substrates with about 100-150 nm thickness. The combination of a larger zone width and the usage of nickel zone structures allows to increase the diffraction efficiency of the condenser element at least by a factor of 3 compared to the earlier used KZP7 condenser zone plate in the TXM at BESSY I. Groove diffraction efficiencies of 21.6% and 14.7% were measured for MZP objectives with 40 and 25 nm outermost zone width, respectively.

  9. Fundamentals of powder x-ray diffraction practice

    International Nuclear Information System (INIS)

    Raftery, T.

    2002-01-01

    Full text: The goal of powder Xray diffraction is to gain information about a specimen or sample. Key aspects of this goal are 1. the sample selection, preparation and presentation; 2. the data collection process and conditions; 3. the interaction between these and the interpretation of the data. The 'ideal' powder (or polycrystalline) xray diffraction sample is fine grained, randomly orientated, homogenous and representative. There exists standard sample selection and preparation techniques for powders - sometimes however, the required information must be gained by alternate sample selection and preparation techniques. While there are few variables in the data collection process, there are some significant ones such as matching diffractometer resolution and intensity to the data collection goal whether that is phase identity, quantitative analysis or structure refinement, etc. There are also options of optical arrangement (Bragg-Brintano versus parallel beam versus Debye-Scherrer). One important aspect of the collection process is the assessment of the data quality. Powder xray diffraction has many applications from the straight-forward confirmation of phase identity and purity to structural analysis. Some of these applications will be considered and the interaction between the goal of the application and aspects of sample selection. Copyright (2002) Australian X-ray Analytical Association Inc

  10. Diffracted X-ray tracking for monitoring intramolecular motion in individual protein molecules using broad band X-ray

    Energy Technology Data Exchange (ETDEWEB)

    Ichiyanagi, Kouhei; Sasaki, Yuji C. [Department of Advanced Materials Science, Graduate School of Frontier Sciences, The University of Tokyo, 609 Kiban Building 5-1-5 Kashiwanoha, Kahiwashi, Chiba 277-8561 (Japan); Japan Science and Technology Agency, CREST, CREST, Sasaki-Team, 609 Kiban Building, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561 (Japan); Sekiguchi, Hiroshi; Hoshino, Masato; Kajiwara, Kentaro; Senba, Yasunori; Ohashi, Haruhiko; Ohta, Noboru [Japan Synchrotron Radiation Research Institute, SPring-8, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Hoshisashi, Kentaro; Jae-won, Chang; Tokue, Maki; Matsushita, Yufuku [Department of Advanced Materials Science, Graduate School of Frontier Sciences, The University of Tokyo, 609 Kiban Building 5-1-5 Kashiwanoha, Kahiwashi, Chiba 277-8561 (Japan); Nishijima, Masaki; Inoue, Yoshihisa [Department of Applied Chemistry and Office for University-Industry Collaboration, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Yagi, Naoto [Japan Science and Technology Agency, CREST, CREST, Sasaki-Team, 609 Kiban Building, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561 (Japan); Japan Synchrotron Radiation Research Institute, SPring-8, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

    2013-10-15

    Diffracted X-ray tracking (DXT) enables the tilting and twisting motions of single protein molecules to be monitored with micro- to milliradian resolution using a highly brilliant X-ray source with a wide energy bandwidth. We have developed a technique to monitor single molecules using gold nanocrystals attached to individual protein molecules using the BL28B2 beamline at SPring-8. In this paper we present the installation of a single toroidal X-ray mirror at BL28B2 to focus X-rays in an energy range of 10–20 keV (△E/E = 82% for an X-ray with a wide energy bandwidth). With this beamline we tracked diffraction spots from gold nanocrystals over a wide angle range than that using quasi-monochromatic X-rays. Application of the wide angle DXT technique to biological systems enabled us to observe the on-site motions of single protein molecules that have been functionalized in vivo. We further extend the capability of DXT by observing the fractional tilting and twisting motions of inner proteins under various conditions. As a proof of this methodology and to determine instrumental performance the intramolecular motions of a human serum albumin complex with 2-anthracenecarboxylic acid was investigated using the BL28B2 beamline. The random tilting and twisting intramolecular motions are shown to be directly linked to the movement of individual protein molecules in the buffer solution.

  11. Scattering of x-ray from crystal surfaces

    International Nuclear Information System (INIS)

    Andrews, S.R.; Cowley, R.A.

    1985-01-01

    X-ray measurements performed on a variety of materials demonstrate that it is possible to observe diffuse scattering that originates in the abrupt change of density at a crystal surface. Such a discontinuity gives rise, in general, to rods of scattering in reciprocal space which are most intense close to the Bragg peaks tau and are well defined for sufficiently smooth surfaces. For wave-vector transfer Q=tau+q the q-dependence of the intensity of scattering gives information on the topographic structure of the crystal surface. Experimental results on crystals of GaAs and KTaO 3 , with surfaces prepared in various ways, were obtained using conventional x-ray techniques with a rotating anode source and can be described by a continuum model of the surface. There are discrepancies between the predictions of the models and the experimental results and the suggest that further experiments are needed to achieve a more complete understanding. (author)

  12. X-ray scattering at liquid surfaces and interfaces

    International Nuclear Information System (INIS)

    Daillant, Jean

    2000-01-01

    X-ray and neutron reflectivity techniques have become quite popular for the analysis of surfaces and interfaces over the last ten years. In this review, we discuss the specific aspects of both specular and diffuse x-ray reflectivity at liquid interfaces. We start from a model liquid surface for which the scattering cross-section can be calculated in terms of thermally excited capillary and acoustic waves, and we examine in detail the experimental consequences of the large bulk scattering and of the low q divergence of the surface scattering. Deviations from the simple calculated behaviour point to interesting phenomena which can be studied in detail, like the appearance of a bending stiffness. The method is illustrated through the discussion of representative studies of liquid surfaces, of surfactant monolayers, of liquid-liquid interfaces and of microemulsions. (author)

  13. Opalescence of quartz: a study by high energy x-ray diffraction

    Science.gov (United States)

    Bastie, P.; Dolino, G.; Hamelin, B.

    2003-05-01

    The origin of the opalescence observed at the α-β transition of quartz remains an open question. This intense light scattering occurs during the coexistence, at the first order transition, of the α and incommensurate (inc) phases, in the vicinity of the phase interface. New hard x-ray diffraction experiment shows that the large angle light scattering is mainly in the α-phase region of the crystal and reveals the existence of an intermediate structure between the α-phase and the 3q inc phase.

  14. Opalescence of quartz: a study by high energy x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Bastie, P [Laboratoire de Spectrometrie Physique, Universite Joseph Fourier-Grenoble 1 - CNRS, UMR No 5588, BP 87, 38402 Saint Martin d' Heres Cedex (France); Dolino, G [Laboratoire de Spectrometrie Physique, Universite Joseph Fourier-Grenoble 1 - CNRS, UMR No 5588, BP 87, 38402 Saint Martin d' Heres Cedex (France); Hamelin, B [Institut Laue Langevin, BP 156X, 38042 Grenoble Cedex 9 (France)

    2003-05-21

    The origin of the opalescence observed at the {alpha}-{beta} transition of quartz remains an open question. This intense light scattering occurs during the coexistence, at the first order transition, of the {alpha} and incommensurate (inc) phases, in the vicinity of the phase interface. New hard x-ray diffraction experiment shows that the large angle light scattering is mainly in the {alpha}-phase region of the crystal and reveals the existence of an intermediate structure between the {alpha}-phase and the 3q inc phase.

  15. X-ray scattering in X-ray fluorescence spectra with X-ray tube excitation - Modelling, experiment, and Monte-Carlo simulation

    International Nuclear Information System (INIS)

    Hodoroaba, V.-D.; Radtke, M.; Vincze, L.; Rackwitz, V.; Reuter, D.

    2010-01-01

    X-ray scattering may contribute significantly to the spectral background of X-ray fluorescence (XRF) spectra. Based on metrological measurements carried out with a scanning electron microscope (SEM) having attached a well characterised X-ray source (polychromatic X-ray tube) and a calibrated energy dispersive X-ray spectrometer (EDS) the accuracy of a physical model for X-ray scattering is systematically evaluated for representative samples. The knowledge of the X-ray spectrometer efficiency, but also of the spectrometer response functions makes it possible to define a physical spectral background of XRF spectra. Background subtraction relying on purely mathematical procedures is state-of-the-art. The results produced by the analytical model are at least as reliable as those obtained by Monte-Carlo simulations, even without considering the very challenging contribution of multiple scattering. Special attention has been paid to Compton broadening. Relevant applications of the implementation of the analytical model presented in this paper are the prediction of the limits of detection for particular cases or the determination of the transmission of X-ray polycapillary lenses.

  16. X rays and condensed matter

    International Nuclear Information System (INIS)

    Daillant, J.

    1997-01-01

    After a historical review of the discovery and study of X rays, the various interaction processes between X rays and matter are described: Thomson scattering, Compton scattering, X-photon absorption through photoelectric effect, and magnetic scattering. X ray sources such as the European Synchrotron Radiation Facility (ESRF) are described. The various X-ray applications are presented: imagery such as X tomography, X microscopy, phase contrast; X-ray photoelectron spectroscopy and X-ray absorption spectroscopy; X-ray scattering and diffraction techniques

  17. Experimental coherent X-ray diffractive imaging: capabilities and limitations of the technique

    International Nuclear Information System (INIS)

    Schropp, Andreas

    2008-08-01

    The investigations pursued during this work were focused on the testing of the applicability of the coherent X-ray diffractive imaging(CXDI)-method in the hard X-ray regime and different measurements were carried out at photon energies between 7 keV and 10 keV. The samples investigated were lithographically prepared two-dimensional gold structures with a size ranging from 3 μm to 10 μm as well as a cluster of gold spheres with a lateral extension of about 3.5 μm. Continuous diffraction patterns were recorded in small angle scattering geometry. In some of the measurements a scattering signal up to the edge of the detector could be measured which corresponds to a lateral resolution of about 30 nm. For certain samples it was possible to reconstruct the object from the measured diffraction data. Since the scattered intensity of non-periodic objects is weak at large scattering angles, the available photon flux is finally the main limitation of the method with regard to the achievable resolution. The experimental data were used to get an estimate of photon flux required for sub-nanometer resolution. The ptychographic iterative phase retrieval algorithm proposed by J. M. Rodenburg et al. (2004) was implemented and tested on simulated diffraction data. Additionally, a genetic algorithm has been developed and implemented for phase retrieval. This algorithm is very different from state-of-the-art algorithms and allows to introduce further experimentally important parameters such as a certain illumination function and partial coherence of the X-ray light. (orig.)

  18. An autonomous CZT module for X-ray diffraction imaging

    International Nuclear Information System (INIS)

    Montemont, G.; Monnet, O.; Stanchina, S.; Verger, L.; Kosciesza, D.; Schlomka, J.P.

    2013-01-01

    We present the development of a CZT-based detection module dedicated to X-ray diffraction imaging. This kind of application requires a good energy and spatial resolution in order to resolve Bragg peaks. In a first part, we present the detector configuration used and dimensioning constraints. As the input energy range is comprised between 20 and 150 keV, we use 5 mm thick high resistivity CZT crystals. The 660 mm 2 detection area is segmented on both sides into 192 anodes and 12 cathodes. Signals from both sides are read jointly in order to perform multi parametric event corrections (depth of interaction, charge sharing, induction sharing). In order to be integrated easily inside an X-ray imaging system, the system has been conceived to be completely autonomous: it is powered by a single 12 V supply and is interfaced with the external system by Ethernet for communication and RS485 for synchronization. In a second part, we describe the system readout architecture and then the implementation of the data processing. An FPGA circuit embeds a digital processing chain that carries out readout ASIC interfacing and advanced multi parametric data corrections. Gain, offset but also depth of interaction and charge sharing are corrected on the flow. Incoming events from different channels are clustered together by comparing their location and time of occurrence. The FPGA also embeds a processor running an operating system that controls the system, carries out all calibrations, automated tests and acquisitions. Eventually, we show the results obtained and demonstrate the relative influence of depth of interaction and charge sharing. Homogeneity of detector behavior is also discussed and the reproducibility of the performance between modules is presented. The average energy resolution at 25 C is 2.4 % FWHM at 122 keV and 3.8 % FWHM at 60 keV and the average efficiency is 73 %. (authors)

  19. IL 12: Femtosecond x-ray powder diffraction

    International Nuclear Information System (INIS)

    Woerner, M.; Zamponi, F.; Rothhardt, P.; Ansari, Z.; Dreyer, J.; Freyer, B.; Premont-Schwarz, M.; Elsaesser, T.

    2010-01-01

    A chemical reaction generates new compounds out of one or more initial species. On a molecular level, the spatial arrangement of electrons and nuclei changes. While the structure of the initial and the product molecules can be measured routinely, the transient structures and molecular motions during a reaction have remained unknown in most cases. This knowledge, however, is a key element for the exact understanding of the reaction. The ultimate dream is a 'reaction microscope' which allows for an in situ imaging of the molecules during a reaction. We report on the first femtosecond x-ray powder diffraction experiment in which we directly map the transient electronic charge density in the unit cell of a crystalline solid with 30 pico-meter spatial and 100 femtosecond temporal resolution. X-ray diffraction from polycrystalline powder samples, the Debye Scherrer diffraction technique, is a standard method for determining equilibrium structures. The intensity of the Debye Scherrer rings is determined by the respective x-ray structure factor which represents the Fourier transform of the spatial electron density. In our experiments, the transient intensity and angular positions of up to 20 Debye Scherrer reactions from a polycrystalline powder are measured and unravel for the first time a concerted electron and proton transfer in hydrogen-bonded ionic (NH 4 ) 2 SO 4 crystals. Photoexcitation of ammonium sulfate induces a sub-100 fs electron transfer from the sulfate groups into a highly conned electron channel along the z-axis of the unit cell. The latter geometry is stabilized by transferring protons from the adjacent ammonium groups into the channel. Time-dependent charge density maps derived from the diffraction data display a periodic modulation of the channels charge density by low-frequency lattice motions with a concerted electron and proton motion between the channel and the initial proton binding site. A deeper insight into the underlying microscopic

  20. Small angle x-ray scattering from proteins in solution

    International Nuclear Information System (INIS)

    de Souza, C.F.; Torriani, I.L.; Bonafe, C.F.S.; Merrelles, N.C.; Vachette, P.

    1989-01-01

    In this work the authors report experiments performed with giant respiratory proteins from annelids (erythrocruorins), known to have a molecular weight in the order of four million Daltons. Preliminary x-ray scattering data was obtained using a conventional rotating anode source. High resolution small angle scattering curves were obtained with synchrotron radiation from the DCI storage ring at LURE. Data from solutions with several protein concentrations were analyzed in order to determine low resolution dimensional parameters, using Guinier plots from the smeared scattering curves and the inverse transformation method

  1. X-ray and neutron scattering from amorphous diamondlike carbon and hydrocarbon films

    International Nuclear Information System (INIS)

    Findeisen, E.

    1994-10-01

    In this report amorphous, diamondlike, carbon and hydrocarbon films are investigated by two different methods, namely, X-ray scattering and a combination of X-ray and neutron reflectivity. As specular reflectivity probes the scattering length density profile of a sample perpendicular to its surface, the combination of X-ray and neutron reflectivity reveals the nuclei density of both carbon and hydrogen separately. This allows to calculate the concentration of hydrogen in the films, which varies in the presented experiments between 0 and 36 atomic %. This method is a new and nondestructive technique to determine the concentration of hydrogen within an error of about ±1 at. % in samples with sharp interfaces. It is well suited for thin diamondlike carbon films. X-ray scattering is used to obtain structural information on the atomic scale, especially the average carbon-carbon distance and the average coordination number of the carbon atoms. As grazing incidence diffraction experiments were not successful, free-standing films are used for the scattering experiments with synchrotron light. However, the scattered intensity for large scattering vectors is, in spite of the intense primary beam, very weak, and therefore the accuracy of the obtained structural parameter is not sufficient to prove the diamondlike properties also on the atomic scale. (au) (10 tabs., 76 ills., 102 refs.)

  2. X-ray diffraction using the time structure of the SRS

    International Nuclear Information System (INIS)

    Tanner, B.K.

    1983-01-01

    The subject is discussed under the headings: introduction (advances in the techniques of X-ray topography; comparison with transmission electron microscopy); stroboscopic X-ray topography; stroboscopic X-ray topography of travelling surface acoustic waves; possible general diffraction experiments. (U.K.)

  3. X-ray diffraction studies of NbTe 2 single crystal

    Indian Academy of Sciences (India)

    The composition of the grown crystals was confirmed on the basis of energy dispersive analysis by X-ray (EDAX) and remaining structural characterization was also accomplished by X-ray diffraction (XRD) studies. Lattice parameters, volume and X-ray density have been carried out for the grown crystals. The particle size ...

  4. Sequential x-ray diffraction topography at 1-BM x-ray optics testing beamline at the advanced photon source

    Energy Technology Data Exchange (ETDEWEB)

    Stoupin, Stanislav, E-mail: sstoupin@aps.anl.gov; Shvyd’ko, Yuri; Trakhtenberg, Emil; Liu, Zunping; Lang, Keenan; Huang, Xianrong; Wieczorek, Michael; Kasman, Elina; Hammonds, John; Macrander, Albert; Assoufid, Lahsen [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2016-07-27

    We report progress on implementation and commissioning of sequential X-ray diffraction topography at 1-BM Optics Testing Beamline of the Advanced Photon Source to accommodate growing needs of strain characterization in diffractive crystal optics and other semiconductor single crystals. The setup enables evaluation of strain in single crystals in the nearly-nondispersive double-crystal geometry. Si asymmetric collimator crystals of different crystallographic orientations were designed, fabricated and characterized using in-house capabilities. Imaging the exit beam using digital area detectors permits rapid sequential acquisition of X-ray topographs at different angular positions on the rocking curve of a crystal under investigation. Results on sensitivity and spatial resolution are reported based on experiments with high-quality Si and diamond crystals. The new setup complements laboratory-based X-ray topography capabilities of the Optics group at the Advanced Photon Source.

  5. Coherent scattering X-ray imaging at the Brazilian National Synchrotron Laboratory: Preliminary breast images

    Energy Technology Data Exchange (ETDEWEB)

    Castro, C.R.F. [Nuclear Instrumentation Laboratory-COPPE/UFRJ, P.O. Box 68509, Rio de Janeiro 21945-970 (Brazil); Barroso, R.C. [Physics Institute-University of Rio de Janeiro State, Rio de Janeiro 20559-900 (Brazil)]. E-mail: cely@uerij.br; Oliveira, L.F. de [Physics Institute-University of Rio de Janeiro State, Rio de Janeiro 20559-900 (Brazil); Lopes, R.T. [Nuclear Instrumentation Laboratory-COPPE/UFRJ, P.O. Box 68509, Rio de Janeiro 21945-970 (Brazil)

    2005-08-11

    The angular distribution of coherent scatter (low-momentum transfer) carries information about atomic structures, resulting in a pattern, which can be used to reconstruct a series of images. Coherent-scatter computed tomography is a novel imaging method developed to produce cross-sectional images based on the X-ray diffraction properties of an object. A different approach to coherent X-ray imaging is possible by fixing the detector at a given scatter angle {theta}, which produces an interference peak and then, carried out a tomography in the standard way. The cross-sectional images obtained allow determining the spatial dependence of coherent scatter cross-section of selected volume elements of inhomogeneous, extend objects for a single predetermined value of {theta} of interest, leading to a simplification of the data processing and the complexity of the apparatus. This work presents preliminary coherent scattering images carried out at the X-ray Diffraction beamline of the National Synchrotron Light Laboratory in Campinas, Brazil. The specimens were excised human breast tissues fixed in formaline. No frozen procedure was used in order to minimize preferred orientation during sample preparation. About 1mm thick slices cut from each of the fresh samples were mounted in frames without windows and placed on a translator to allow acquisition of scattering spectra. Cylinders containing healthy and cancerous (infiltrating ductal carcinoma) breast tissues were imagined at the characteristic angle for adipose tissue. Transmission and coherent scatter images are compared.

  6. Soft X-ray resonant scattering from magnetic heterostructures

    International Nuclear Information System (INIS)

    Grabis, J.

    2005-01-01

    Heterogenous magnetic multilayers are of great interest both because of their relevance for technological applications and since they provide model systems to understand magnetic behavior and interactions. Soft x-ray resonant magnetic scattering (XRMS) allows to determine element-specific and depth-resolving information of the local magnetic order of such systems. Within the framework of the present thesis the diffractometer ALICE for soft XRMS has been constructed. XRMS measurements of two different physical systems are presented in this thesis: The antiferromagnetic and ferromagnetic order in interlayer exchange-coupled Fe/Cr(001) superlattices are studied as a function of the applied field by measuring the reflected intensity at different positions in reciprocal space. Thin films and multilayers of the Heusler compound Co 2 MnGe are studied by means of soft x-ray absorption spectroscopy, magnetic circular dichroism and resonant magnetic scattering

  7. Revealing inner shell dynamics with inelastic X-ray scattering

    International Nuclear Information System (INIS)

    Franck, C.

    1990-01-01

    One of the many opportunities provided by the Advanced Photon Source (APS) is to extend the study of intra-atomic dynamics. As a means of testing dynamic response, inelastic x-ray scattering is particularly promising since it allows us to independently vary the period of the exciting field in both space and time. As an example of this type of work, the author presents experiments performed at the Cornell High Energy Synchrotron Source (CHESS) laboratory, a prototype for the APS. This was inner shell inelastic scattering with a twist: in order to explore a new distance scale an x-ray fluorescence trigger was employed. Aside for the atomic insight gained, the experiment taught them the importance of the time structure of the synchrotron beam for coincidence experiments which are dominated by accidental events

  8. Magnetic x-ray scattering studies of holmium using synchro- tron radiation

    International Nuclear Information System (INIS)

    Gibbs, D.; Moncton, D.E.; D'Amico, K.L.; Bohr, J.; Grier, B.H.

    1985-01-01

    We present the results of magnetic x-ray scattering experiments on the rare-earth metal holmium using synchrotron radiation. Direct high-resolution measurements of the nominally incommensurate magnetic satellite reflections reveal new lock-in behavior which we explain within a simple spin-discommensuration model. As a result of magnetoelastic coupling, the spin-discommensuration array produces additional x-ray diffraction satellites. Their observation further substantiates the model and demonstrates additional advantages of synchrotron radiation for magnetic-structure studies

  9. Electrochemically adsorbed Pb on Ag (111) studied with grazing- incidence x-ray scattering

    International Nuclear Information System (INIS)

    Kortright, J.B.; Ross, P.N.; Melroy, O.R.; Toney, M.F.; Borges, G.L.; Samant, M.G.

    1989-04-01

    Grazing-incidence x-ray scattering studies of the evolution of electrochemically deposited layers of lead on silver (111) as a function of applied electrochemical potential are presented. Measurements were made with the adsorbed layers in contact with solution in a specially designed sample cell. The observed lead structures are a function of the applied potential and range from an incommensurate monolayer, resulting from underpotential deposition, to randomly oriented polycrystalline bulk lead, resulting from lower deposition potentials. These early experiments demonstrate the ability of in situ x-ray diffraction measurements to determine structures associated with electrochemical deposition. 6 refs., 4 figs

  10. X-ray diffuse scattering holography of a centrosymmetric sample

    Czech Academy of Sciences Publication Activity Database

    Kopecký, Miloš; Fábry, Jan; Kub, Jiří; Bussetto, E.; Lausi, A.

    2005-01-01

    Roč. 87, č. 23 (2005), 231914/1-231914/3 ISSN 0003-6951 R&D Projects: GA AV ČR IAA100100529 Grant - others:EU(XE) HPRI-CT-1999-00033 Institutional research plan: CEZ:AV0Z10100520 Keywords : x-ray holography * diffuse scattering Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.127, year: 2005

  11. High-Resolution Detector For X-Ray Diffraction

    Science.gov (United States)

    Carter, Daniel C.; Withrow, William K.; Pusey, Marc L.; Yost, Vaughn H.

    1988-01-01

    Proposed x-ray-sensitive imaging detector offers superior spatial resolution, counting-rate capacity, and dynamic range. Instrument based on laser-stimulated luminescence and reusable x-ray-sensitive film. Detector scans x-ray film line by line. Extracts latent image in film and simultaneously erases film for reuse. Used primarily for protein crystallography. Principle adapted to imaging detectors for electron microscopy and fluorescence spectroscopy and general use in astronomy, engineering, and medicine.

  12. Multiple x-ray diffraction applied to the study of crystal impurities

    International Nuclear Information System (INIS)

    Cardoso, L.P.

    1983-06-01

    The x-ray multiple diffraction technique is used in the study of impurities concentration and localization in the crystal lattice, implemented with the fundamental observation that the impurities cannot be distributed with the same spatial group symmetry of the crystal. This fact could introduce scattered intensity in the crystal reciprocal lattice forbidden nodes. This effect was effectively observed in multiple diffraction diagrams, where a reinforcement of the scattered intensity in the pure crystal is produced, when choosing conveniently the involved reflections. The reflectivity theory was developed in the kinematic case, which take into account the scattering by the impurities atoms, and the analysis showed that, in the first approximation, the impurities can influence both in the allowed and forbidden positions for the pure crystal. (L.C.J.A.)

  13. Performances for confocal X-ray diffraction technology based on polycapillary slightly focusing X-ray optics

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hehe; Liu, Zhiguo [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Sun, Tianxi, E-mail: stxbeijing@163.com [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Peng, Song [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Ma, Yongzhong [Center for Disease Control and Prevention of Beijing, Beijing 100013 (China); Sun, Weiyuan; Li, Yude; Lin, Xiaoyan; Zhao, Weigang; Zhao, Guangcui; Luo, Ping; Pan, Qiuli; Ding, Xunliang [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China)

    2013-09-21

    The confocal X-ray diffraction (XRD) technology based on a polycapillary slightly focusing X-ray lens (PSFXRL) in excitation channel and a polycapillary parallel X-ray lens (PPXRL) with a long input focal distance in detection channel was developed. The output focal spot of the PSFXRL and the input focal spot of the PPXRL were adjusted in confocal configuration, and only the X-rays from the volume overlapped by these foci could be accordingly detected. This confocal configuration was helpful in decreasing background. The convergence of the beam focused by the PSFXRL and divergence of the beam which could be collected by the PPXRL with a long input focal distance were both about 9 mrad at 8 keV. This was helpful in improving the resolution of lattice spacing of this confocal XRD technology. The gain in power density of such PSFXRL and PPXRL was about 120 and 7 at 11 keV, respectively, which was helpful in using the low power source to perform XRD analysis efficiently. The performances of this confocal XRD technology were provided, and some common plastics were analyzed. The experimental results demonstrated that the confocal diffraction technology base on polycapillary slightly focusing X-ray optics had wide potential applications.

  14. Two digital X-ray imaging systems for applications in X-ray diffraction

    International Nuclear Information System (INIS)

    Bateman, J.E.; Connolly, J.F.; Stephenson, R.; Flesher, A.C.; Bryant, C.J.; Lincoln, A.D.; Tucker, P.A.; Swanton, S.W.

    1986-08-01

    Two digital X-ray imaging systems developed at the Rutherford Appleton Laboratory are described:- the Mark I and the Mark II. Both use a bidimensionally sensitive Multiwire proportional counter as the basic X-ray image transducer coupled to a digital microcomputer system. The Mark I system provides the advantages of high speed, high sensitivity digital imaging directly into the computer with the potential for software control of the sample orientation and environment. The Mark II system adds the novel features of signal averaging and multi-frame exposures. (author)

  15. CHEMICAL APPLICATIONS OF INELASTIC X-RAY SCATTERING

    Energy Technology Data Exchange (ETDEWEB)

    HAYASHI,H.; UDAGAWA,Y.; GILLET,J.M.; CALIEBE,W.A.; KAO,C.C.

    2001-08-01

    Inelastic x-ray scattering (IXS), complementary to other more established inelastic scattering probes, such as light scattering, electron scattering, and neutron scattering, is becoming an important experimental technique in the study of elementary excitations in condensed matters. Over the past decade, IXS with total energy resolution of few meV has been achieved, and is being used routinely in the study of phonon dispersions in solids and liquids as well as dynamics in disordered and biological systems. In the study of electronic excitations, IXS with total energy resolution on the order of 100 meV to 1 eV is gaining wider applications also. For example, IXS has been used to study collective excitations of valence electrons, single electron excitations of valence electrons, as well as core electron excitations. In comparison with the alternative scattering techniques mentioned above, IXS has several advantages. First, IXS probes the full momentum transfer range of the dielectric response of the sample, whereas light scattering is limited to very small momentum transfers, and electron scattering suffers the effects of multiple scattering at large momentum transfers. Second, since IXS measures the bulk properties of the sample it is not surface sensitive, therefore it does not require special preparation of the sample. The greater flexibility in sample conditions and environments makes IXS an ideal probe in the study of liquids and samples under extreme temperature, pressure, and magnetic field. Third, the tunability of synchrotron radiation sources enables IXS to exploit element specificity and resonant enhancement of scattering cross sections. Fourth, IXS is unique in the study of dynamics of liquids and amorphous solids because it can probe the particular region of energy-momentum transfer phase space, which is inaccessible to inelastic neutron scattering. On the other hand, the main disadvantages of IXS are the small cross sections and the strong absorption of

  16. X-ray diffraction and X-ray absorption of strained CoO and MnO thin films

    NARCIS (Netherlands)

    Csiszár, Szilárd Istvan; Tjeng, L.H

    2005-01-01

    The aim of this project was to study the influence of epitaxial strain on the electronic and magnetic structure of transition metal oxide layers. In the first part of the thesis the discovery of characteristic diffuse X-ray scattering patterns is reported. They are caused by the misfit dislocations,

  17. RASOR: an advanced instrument for soft x-ray reflectivity and diffraction.

    Science.gov (United States)

    Beale, T A W; Hase, T P A; Iida, T; Endo, K; Steadman, P; Marshall, A R; Dhesi, S S; van der Laan, G; Hatton, P D

    2010-07-01

    We report the design and construction of a novel soft x-ray diffractometer installed at Diamond Light Source. The beamline endstation RASOR is constructed for general users and designed primarily for the study of single crystal diffraction and thin film reflectivity. The instrument is comprised of a limited three circle (theta, 2theta, and chi) diffractometer with an additional removable rotation (phi) stage. It is equipped with a liquid helium cryostat, and post-scatter polarization analysis. Motorized motions are provided for the precise positioning of the sample onto the diffractometer center of rotation, and for positioning the center of rotation onto the x-ray beam. The functions of the instrument have been tested at Diamond Light Source, and initial test measurements are provided, demonstrating the potential of the instrument.

  18. Automated high pressure cell for pressure jump x-ray diffraction.

    Science.gov (United States)

    Brooks, Nicholas J; Gauthe, Beatrice L L E; Terrill, Nick J; Rogers, Sarah E; Templer, Richard H; Ces, Oscar; Seddon, John M

    2010-06-01

    A high pressure cell for small and wide-angle x-ray diffraction measurements of soft condensed matter samples has been developed, incorporating a fully automated pressure generating network. The system allows both static and pressure jump measurements in the range of 0.1-500 MPa. Pressure jumps can be performed as quickly as 5 ms, both with increasing and decreasing pressures. Pressure is generated by a motorized high pressure pump, and the system is controlled remotely via a graphical user interface to allow operation by a broad user base, many of whom may have little previous experience of high pressure technology. Samples are loaded through a dedicated port allowing the x-ray windows to remain in place throughout an experiment; this facilitates accurate subtraction of background scattering. The system has been designed specifically for use at beamline I22 at the Diamond Light Source, United Kingdom, and has been fully integrated with the I22 beamline control systems.

  19. Automated high pressure cell for pressure jump x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Brooks, Nicholas J.; Gauthe, Beatrice L. L. E.; Templer, Richard H.; Ces, Oscar; Seddon, John M. [Department of Chemistry, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Terrill, Nick J. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Rogers, Sarah E. [ISIS, Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0QX (United Kingdom)

    2010-06-15

    A high pressure cell for small and wide-angle x-ray diffraction measurements of soft condensed matter samples has been developed, incorporating a fully automated pressure generating network. The system allows both static and pressure jump measurements in the range of 0.1-500 MPa. Pressure jumps can be performed as quickly as 5 ms, both with increasing and decreasing pressures. Pressure is generated by a motorized high pressure pump, and the system is controlled remotely via a graphical user interface to allow operation by a broad user base, many of whom may have little previous experience of high pressure technology. Samples are loaded through a dedicated port allowing the x-ray windows to remain in place throughout an experiment; this facilitates accurate subtraction of background scattering. The system has been designed specifically for use at beamline I22 at the Diamond Light Source, United Kingdom, and has been fully integrated with the I22 beamline control systems.

  20. Automated high pressure cell for pressure jump x-ray diffraction

    International Nuclear Information System (INIS)

    Brooks, Nicholas J.; Gauthe, Beatrice L. L. E.; Templer, Richard H.; Ces, Oscar; Seddon, John M.; Terrill, Nick J.; Rogers, Sarah E.

    2010-01-01

    A high pressure cell for small and wide-angle x-ray diffraction measurements of soft condensed matter samples has been developed, incorporating a fully automated pressure generating network. The system allows both static and pressure jump measurements in the range of 0.1-500 MPa. Pressure jumps can be performed as quickly as 5 ms, both with increasing and decreasing pressures. Pressure is generated by a motorized high pressure pump, and the system is controlled remotely via a graphical user interface to allow operation by a broad user base, many of whom may have little previous experience of high pressure technology. Samples are loaded through a dedicated port allowing the x-ray windows to remain in place throughout an experiment; this facilitates accurate subtraction of background scattering. The system has been designed specifically for use at beamline I22 at the Diamond Light Source, United Kingdom, and has been fully integrated with the I22 beamline control systems.

  1. X-ray diffraction imaging of material microstructures

    KAUST Repository

    Varga, Laszlo; Varga, Bonbien; Calo, Victor

    2016-01-01

    Various examples are provided for x-ray imaging of the microstructure of materials. In one example, a system for non-destructive material testing includes an x-ray source configured to generate a beam spot on a test item; a grid detector configured

  2. Multiple scattering theory of X-ray absorption. A review

    International Nuclear Information System (INIS)

    Fonda, L.

    1991-11-01

    We review the basic elements of the theory of X-ray absorption using the tools provided by the theory of multiple scattering. A momentum space approach of clear physical insight is used where the final formulas expressing EXAFS and XANES, i.e. the structures appearing in the absorption coefficient above the edge of a deep core level threshold, are given in terms of eigenstates of the photoelectron momentum. A simple graphic representation is given for the multiple scattering function. (author). 38 refs, 4 figs, 1 tab

  3. A compact X-ray source based on Compton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Bulyak, E.; Gladkikh, P.; Grigor' ev, Yu.; Guk, I.; Karnaukhov, I.; Khodyachikh, A.; Kononenko, S.; Mocheshnikov, N.; Mytsykov, A.; Shcherbakov, A. E-mail: shcherbakov@kipt.kharkov.ua; Tarasenko, A.; Telegin, Yu.; Zelinsky, A

    2001-07-21

    The main parameters of Kharkov electron storage ring N-100 with a beam energy range from 70 to 150 MeV are presented. The main results that were obtained in experimental researches are briefly described. The future of the N-100 upgrade to the development of the X-ray generator based on Compton back-scattering are presented. The electron beam energy range will be extended up to 250 MeV and the circumference of the storage ring will be 13.72 m. The lattice, parameters of the electron beam and the Compton back-scattering photons flux are described.

  4. A compact X-ray source based on Compton scattering

    International Nuclear Information System (INIS)

    Bulyak, E.; Gladkikh, P.; Grigor'ev, Yu.; Guk, I.; Karnaukhov, I.; Khodyachikh, A.; Kononenko, S.; Mocheshnikov, N.; Mytsykov, A.; Shcherbakov, A.; Tarasenko, A.; Telegin, Yu.; Zelinsky, A.

    2001-01-01

    The main parameters of Kharkov electron storage ring N-100 with a beam energy range from 70 to 150 MeV are presented. The main results that were obtained in experimental researches are briefly described. The future of the N-100 upgrade to the development of the X-ray generator based on Compton back-scattering are presented. The electron beam energy range will be extended up to 250 MeV and the circumference of the storage ring will be 13.72 m. The lattice, parameters of the electron beam and the Compton back-scattering photons flux are described

  5. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Allan

    1970-12-15

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

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

    International Nuclear Information System (INIS)

    Brown, Allan

    1970-12-01

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

  8. Federated repositories of X-ray diffraction images.

    Science.gov (United States)

    Androulakis, Steve; Schmidberger, Jason; Bate, Mark A; DeGori, Ross; Beitz, Anthony; Keong, Cyrus; Cameron, Bob; McGowan, Sheena; Porter, Corrine J; Harrison, Andrew; Hunter, Jane; Martin, Jennifer L; Kobe, Bostjan; Dobson, Renwick C J; Parker, Michael W; Whisstock, James C; Gray, Joan; Treloar, Andrew; Groenewegen, David; Dickson, Neil; Buckle, Ashley M

    2008-07-01

    There is a pressing need for the archiving and curation of raw X-ray diffraction data. This information is critical for validation, methods development and improvement of archived structures. However, the relatively large size of these data sets has presented challenges for storage in a single worldwide repository such as the Protein Data Bank archive. This problem can be avoided by using a federated approach, where each institution utilizes its institutional repository for storage, with a discovery service overlaid. Institutional repositories are relatively stable and adequately funded, ensuring persistence. Here, a simple repository solution is described, utilizing Fedora open-source database software and data-annotation and deposition tools that can be deployed at any site cheaply and easily. Data sets and associated metadata from federated repositories are given a unique and persistent handle, providing a simple mechanism for search and retrieval via web interfaces. In addition to ensuring that valuable data is not lost, the provision of raw data has several uses for the crystallographic community. Most importantly, structure determination can only be truly repeated or verified when the raw data are available. Moreover, the availability of raw data is extremely useful for the development of improved methods of image analysis and data processing.

  9. X-ray topography under conditions of monochromatic spherical wave diffraction

    International Nuclear Information System (INIS)

    Aristov, V.V.; Polovinkina, V.I.; Ibhikawa, Tetsuya; Kiduta, Seishi.

    1981-01-01

    An X-ray topographic scheme was developed in which there is a large distance between the X-ray source and the specimen. A monochromatic X-ray beam with an angular divergence 6 x 10 - 5 rad obtained by double successive diffraction in the (n 1 , +n 2 ) setting was used. This scheme enables diffraction focusing of a weakly absorbed wave field onto the exit surface of the crystal to be performed. Topographs of a wedge-shaped silicon crystal were obtained. Interference effects such as focusing, anomalous and ordinary Pendelloesung effects peculiar to X-ray spherical wave diffraction were observed in the topographs with high resolution. (author)

  10. Characterization of Polycrystalline Materials Using Synchrotron X-ray Imaging and Diffraction Techniques

    DEFF Research Database (Denmark)

    Ludwig, Wolfgang; King, A.; Herbig, M.

    2010-01-01

    The combination of synchrotron radiation x-ray imaging and diffraction techniques offers new possibilities for in-situ observation of deformation and damage mechanisms in the bulk of polycrystalline materials. Minute changes in electron density (i.e., cracks, porosities) can be detected using...... propagation based phase contrast imaging, a 3-D imaging mode exploiting the coherence properties of third generation synchrotron beams. Furthermore, for some classes of polycrystalline materials, one may use a 3-D variant of x-ray diffraction imaging, termed x-ray diffraction contrast tomography. X-ray...

  11. Revisiting Bragg's X-ray microscope: Scatter based optical transient grating detection of pulsed ionising radiation

    International Nuclear Information System (INIS)

    Fullagar, Wilfred K.; Paganin, David M.; Hall, Chris J.

    2011-01-01

    Transient optical gratings for detecting ultrafast signals are routine for temporally resolved photochemical investigations. Many processes can contribute to the formation of such gratings; we indicate use of optically scattering centres that can be formed with highly variable latencies in different materials and devices using ionising radiation. Coherent light scattered by these centres can form the short-wavelength-to-optical-wavelength, incoherent-to-coherent basis of a Bragg X-ray microscope, with inherent scope for optical phasing. Depending on the dynamics of the medium chosen, the way is open to both ultrafast pulsed and integrating measurements. For experiments employing brief pulses, we discuss high-dynamic-range short-wavelength diffraction measurements with real-time optical reconstructions. Applications to optical real-time X-ray phase-retrieval are considered. -- Research highlights: → It is timely that the concept of Bragg's X-ray microscope be revisited. → Transient gratings can be used for X-ray all-optical information processing. → Applications to optical real-time X-ray phase-retrieval are considered.

  12. A spectrometer for X-ray energy-dispersive diffraction using synchrotron radiation

    International Nuclear Information System (INIS)

    Buras, B.; Gerward, L.; Staun Olsen, J.; Steenstrup, S.

    1981-10-01

    The paper describes a white-beam X-ray energy dispersive diffractometer using the synchroton radiation from the DORIS ESR. The following features of the instrument are discussed: Horizontal or vertical scattering plane, collimators, sample environment, remote control of gonimeter, data acquisition, energy-sensitive detectors using small-area and large-area detector crystals, modes of operation, powder and single crystal diffraction. An example is given from a high-pressure study of YbH 2 using a diamond anvil cell. (orig./HP)

  13. X-ray diffuse scattering effects from Coulomb-type defects in multilayered structures

    International Nuclear Information System (INIS)

    Olikhovskii, S.I.; Molodkin, V.B.; Skakunova, E.S.; Kislovskii, E.N.; Fodchuk, I.M.

    2009-01-01

    The theoretical X-ray diffraction model starting from Takagi-Taupin equation has been developed for the description of coherent and diffuse components of the rocking curve (RC) measured from the multilayered crystal structure with randomly distributed Coulomb-type defects in all the layers and substrate. The model describes both diffuse scattering (DS) intensity distribution and influence of DS on attenuation and angular redistribution of the coherent X-ray scattering intensity. By analyzing the total measured RC with using the proposed diffraction model, the chemical compositions, strains, and characteristics of dislocation loops in layers and substrate of the multilayered structure with InGaAsN/GaAs single quantum well have been determined. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

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

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

    2008-01-01

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

  15. X-Ray Diffraction and the Discovery of the Structure of DNA

    Science.gov (United States)

    Crouse, David T.

    2007-01-01

    A method is described for teaching the analysis of X-ray diffraction of DNA through a series of steps utilizing the original methods used by James Watson, Francis Crick, Maurice Wilkins and Rosalind Franklin. The X-ray diffraction pattern led to the conclusion of the basic helical structure of DNA and its dimensions while basic chemical principles…

  16. Neutron, x-ray scattering and TEM studies of Ni-Ti multilayers

    International Nuclear Information System (INIS)

    Keem, J.E.; Wood, J.; Grupido, N.; Hart, K.; Nutt, S.; Reichel, D.G.; Yelon, W.B.

    1988-01-01

    The authors present an analysis of Ni-Ti multilayer neutron reflectors and supermirrors undertaken to identify the causes of the lower than expected observed scattering power and critical angle enhancement of Ni-Ti supermirrors. Results of these investigations focus attention on cusp formation in the Ni-Ti bilayers as probable cause for the reduced neutron scattering power. Grazing angle x-ray and neutron scattering, wide angle neutron diffraction and analytical cross sectional TEM have been used. The multilayers were produced by magnetron sputtering and ion-beam deposition on float glass substrates and silicon wafers

  17. Anomalous scattering and isomorphous replacement in X-ray diffuse scattering holography

    Czech Academy of Sciences Publication Activity Database

    Kopecký, Miloš; Kub, Jiří; Busetto, E.; Lausi, A.; Fábry, Jan; Šourek, Zbyněk

    2007-01-01

    Roč. 204, č. 8 (2007), s. 2572-2577 ISSN 1862-6300 R&D Projects: GA AV ČR IAA100100529; GA MŠk LA 287 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z10100520 Keywords : x-ray difuse scattering * x-ray holography Subject RIV: BM - Solid Matter Physics ; Magnetism

  18. Resonant inelastic scattering at intermediate X-ray energies

    CERN Document Server

    Hague, C F; Journel, L; Gallet, J J; Rogalev, A; Krill, G; Kappler, J P

    2000-01-01

    We describe resonant inelastic X-ray scattering (RIXS) experiments and magnetic circular dichroism (MCD) in X-ray fluorescence performed in the 3-5 keV range. The examples chosen are X-ray fluorescence MCD of FeRh and RIXS experiments performed at the L/sub 3/ edge of Ce. Fe Rh is antiferromagnetic at room temperature but has a transition to the ferromagnetic state above 400 K. The Rh MCD signal is compared with an augmented spherical wave calculation. The experiment confirms the predicted spin polarization of the Rh 4d valence states. The RIXS measurements on Ce compounds and intermetallics address the problem of mixed valency especially in systems where degeneracy with the Fermi level remains small. Examples are taken from the 2p to (4f5d) /sup +1/ followed by 3d to 2p RIXS for a highly ionic compound CeF /sub 3/ and for almost gamma -like CeCuSi. (38 refs).

  19. X-ray grazing incidence diffraction from multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Tixier, S.; Boeni, P.; Swygenhoven, H. van; Horisberger, M. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-09-01

    Grazing incidence scattering geometries using synchrotron radiation have been applied in order to characterise the roughness profiles and the structural coherence of multilayers. The lateral correlation length of the roughness profiles was evaluated using diffuse reflectivity in the `out of plane` geometry. This type of measurement is the only diffuse reflectivity technique allowing large lateral momentum transfer. It is typically suitable for correlation lengths smaller than 1000 A. The lateral structural coherence length of Ni{sub 3}Al/Ni multilayers as a function of the layer thickness was obtained by grazing incidence diffraction (GID). 3 figs., 1 ref.

  20. Qualitative analysis of powder x-ray diffraction data

    International Nuclear Information System (INIS)

    Raftery, T.

    1999-01-01

    based methods of considering significant lines such as with the Hanawalt, Fink and alphabetical index; computer based search-match based on FOM and the more recent graphically based full pattern methods of phase identification. No single approach is foolproof. a range of techniques is recommended if a high level of success is required. Copyright (1999) Australian X-ray Analytical Association Inc

  1. Testing ion structure models with x-ray Thomson scattering

    Directory of Open Access Journals (Sweden)

    Wünsch K.

    2013-11-01

    Full Text Available We investigate the influence of various ionic structure models on the interpretation of the X-ray Thomson scattering signal. For the calculation of the ion structure, classical hypernetted chain equations are used applying different effective inter-particle potentials. It is shown that the different models lead to significant discrepancies in the theoretically predicted weight of the Rayleigh peak, in particular for small k-values where correlation effects are important. Here, we propose conditions which might allow for an experimental verification of the theories under consideration of experimental constraints of k-vector blurring.

  2. Neutron and x-ray scattering studies of premartensitic phenomena

    International Nuclear Information System (INIS)

    Shapiro, S.M.

    1987-01-01

    This paper discusses neutron and x-ray investigations of some metallic alloys which are known to exhibit martensitic transformations. It is shown that precursor effects are usually present in the diffuse scattering and in the phonon dispersion curves, but the transition cannot be described in terms of the soft mode picture used in the Landau and Devonshire theory to describe structural phase transitions. In addition, it is noted that it is inappropriate to look at these microstructures as incommensurate systems, but more correctly as a coherent coexistence of two phases

  3. Time Resolved X-Ray Scattering of molecules in Solution

    DEFF Research Database (Denmark)

    Brandt van Driel, Tim

    The dissertation describes the use of Time-Resolved X-ray Diffuse Scattering (TR-XDS) to study photo-induced structural changes in molecules in solution. The application of the technique is exemplified with experiments on two bimetallic molecules. The main focus is on the data-flow and process......)42+ obtained at European Synchrotron Radiation Facility (ESRF) are presented to exemplify TR-XDS at synchrotrons. Similarly, measurements on Ir2(dimen)42+ are used to show the XFEL data-flow and how it deviates from the prior. A method to identify and account for systematic fluctuations...

  4. Dichroism in resonant inelastic soft X-ray scattering

    International Nuclear Information System (INIS)

    Braicovich, L.

    2004-01-01

    Full text: The dichroism (and in particular the magnetic dichroism) has emerged in the last decade as a key method in the study of electronic states in solids. This has been largely due to the exploitation of the modern sources of Synchrotron Radiation. This approach has been extensively used in X ray Absorption Spectroscopy i.e. in a first order process giving a straightforward access, trough sum rules, to the ground state properties of the sample. On the other hand the studies of dichroism in second order processes as the photon scattering experiments has been up to now relatively limited probably due to experimental difficulties. This is too bad because, at least in principle, the scattering experiments offer unique opportunities typical of second order processes, beyond the possibilities offered by absorption spectroscopy. This requires specific scattering experiments able to give information that cannot be obtained in the absorption mode. A typical example is the circular magnetic dichroism in resonant inelastic scattering in perpendicular geometry i.e. with the light incident perpendicular to the magnetisation. In this case the circular dichroism in absorption is zero by symmetry while the detection of the scattered photons at an angle breaks the left-right symmetry and allows a dichroism to be observed. The aim of the present talk is to review critically the dichroism in resonant X-ray scattering and to show the potential of this approach. In particular it will be shown how to recover, in magnetic samples, the ground state information up to the moments of order four. In this connection original results will be presented including the demonstration of a new experimental approach. The perspectives of the field will be also discussed

  5. Low-angle X-ray scattering from spices

    International Nuclear Information System (INIS)

    Desouky, O.S.; Ashour, Ahmed H.; Abdullah, Mohamed I.; Elshemey, Wael M.

    2002-01-01

    Low-angle scattering of X-rays is characterized by the presence of one or more peaks in the forward direction of scattering. These peaks are due to the interference of photons coherently scattered from the molecules of the medium. Thus these patterns are closely linked to the molecular structure of the investigated medium. In this work, low-angle X-ray scattering (LAXS) profiles of five spices; pimpinella anisum (anise), coriandrum sativum (coriander), cuminum cyminum (cumin), foenculum vulgare (fennel) and nigella sativa (nigella or black cumin) are presented after extensive measurements. It is found that all spices exhibit one characteristic peak at a scattering angle around 10 deg. This is equivalent to a value x=0.0565 A -1 , where x=sin(θ/2)/λ. The full width at half maximum (FWHM) of this peak is found to be characteristic for each type of the investigated spices. The possibility to detect the irradiation of these spices from their LAXS profiles is also examined after 10, 20, 30 and 40 kGy doses of gamma radiation. Except for anise, coriander and cumin at 40 kGy, there are no detectable deviations from the control samples in the scattering profiles of irradiated samples. These results comply with the recommendations of the FDA (US Food and Drug Administration) which defines 30 kGy as the maximum dose for irradiation of spices. The present technique could be used to detect over-irradiation, which causes damage to the molecular structure of some spices

  6. New opportunities for 3D materials science of polycrystalline materials at the micrometre lengthscale by combined use of X-ray diffraction and X-ray imaging

    DEFF Research Database (Denmark)

    Ludwig, W.; King, A.; Reischig, P.

    2009-01-01

    Non-destructive, three-dimensional (3D) characterization of the grain structure in mono-phase polycrystalline materials is an open challenge in material science. Recent advances in synchrotron based X-ray imaging and diffraction techniques offer interesting possibilities for mapping 3D grain shapes....... A recent extension of this methodology, termed X-ray diffraction contrast tomography (DCT), combines the principles of X-ray diffraction imaging, three-dimensional X-ray diffraction microscopy (3DXRD) and image reconstruction from projections. DCT provides simultaneous access to 3D grain shape...

  7. Two digital X-ray imaging systems for applications in X-ray diffraction

    International Nuclear Information System (INIS)

    Bateman, J.E.; Connolly, J.F.; Stephenson, R.; Flesher, A.C.; Tucker, P.A.; Swanton, S.W.

    1987-01-01

    Two digital X-ray imaging systems developed at the Rutherford Appleton Laboratory are described: the Mark I and the Mark II. Both use a bidimensionally sensitive multiwire proportional counter (MWPC) as the basic X-ray image transducer coupled, in the case of the Mark I to a Digital LSI 11-23 microcomputer system via CAMAC, and in the case of the Mark II to a Digital LSI 11-73 microcomputer system via custom-built data acquisition hardware mounted directly on the Q-bus of the microcomputer. The Mark I system provides the advantages of high speed, high sensitivity digital imaging directly into the computer with the potential for software control of the sample orientation and environment. The Mark II system adds the novel features of signal averaging and multiframe exposures. The dedicated digital memories have a resolution of 512x512 pixels of 16 bits, matching well to the spatial resolution of the xenon-filled MWPC (0.5 mm fwhm over an aperture of 200 mm x 200 mm). A 512x512x4 bit video graphics system displays the images in grey scales or colour. (orig.)

  8. The phase problem and perspectives of surface X-ray diffraction

    International Nuclear Information System (INIS)

    Tajiri, Hiroo; Takahashi, Toshio

    2009-01-01

    The emergence of synchrotron radiation sources has accelerated the application of diffraction techniques to surface sciences. Surface X-ray diffraction has become the state-of-the-art technique for determining ordered structures of atoms on crystal surfaces. We introduce surface X-ray diffraction briefly from the historical point of view and describe the concept that not only determine constellation of surface atoms but also view surface atoms as image. The progress in experimental and theoretical studies of surface X-ray diffraction including crystallographic direct methods is reviewed. (author)

  9. Three-dimensional visualization of a human chromosome using coherent x-ray diffraction

    International Nuclear Information System (INIS)

    Nishino, Yoshinori; Ishikawa, Tetsuya; Takahashi, Yukio; Imamoto, Naoko; Maeshima, Kazuhiro

    2010-01-01

    We succeeded in observing a human chromosome in two- and three-dimensions using x-ray diffraction microscopy. X-ray diffraction microscopy is a lens-less imaging technique utilizing coherent x-ray diffraction, and can overcome various limitations in conventional lens-based x-ray microscopy. Biological applications of the method have been limited to 2D observation, and 3D observation has been long waited. We found that the reconstructed chromosome images contain high-density axial structure, which has not been observed under unstained or unlabeled conditions. The result experimentally demonstrates the effectiveness of x-ray diffraction microscopy in observing internal structures of unstained biological samples with high image contrast. (author)

  10. Silicon Σ13(5 0 1) grain boundary interface structure determined by bicrystal Bragg rod X-ray scattering

    International Nuclear Information System (INIS)

    Howes, P.B.; Rhead, S.; Roy, M.; Nicklin, C.L.; Rawle, J.L.; Norris, C.A.

    2013-01-01

    The atomic structure of the silicon Σ13(5 0 1) symmetric tilt grain boundary interface has been determined using Bragg rod X-ray scattering. In contrast to conventional structural studies of grain boundary structure using transmission electron microscopy, this approach allows the non-destructive measurement of macroscopic samples. The interface was found to have a single structure that is fully fourfold coordinated. X-ray diffraction data were measured at Beamline I07 at the Diamond Light Source

  11. Femtosecond X-ray scattering in condensed matter

    Energy Technology Data Exchange (ETDEWEB)

    Korff Schmising, Clemens von

    2008-11-24

    This thesis investigates the manifold couplings between electronic and structural properties in crystalline Perovskite oxides and a polar molecular crystal. Ultrashort optical excitation changes the electronic structure and the dynamics of the connected reversible lattice rearrangement is imaged in real time by femtosecond X-ray scattering experiments. An epitaxially grown superlattice consisting of alternating nanolayers of metallic and ferromagnetic strontium ruthenate (SRO) and dielectric strontium titanate serves as a model system to study optically generated stress. In the ferromagnetic phase, phonon-mediated and magnetostrictive stress in SRO display similar sub-picosecond dynamics, similar strengths but opposite sign and different excitation spectra. The amplitude of the magnetic component follows the temperature dependent magnetization square, whereas the strength of phononic stress is determined by the amount of deposited energy only. The ultrafast, phonon-mediated stress in SRO compresses ferroelectric nanolayers of lead zirconate titanate in a further superlattice system. This change of tetragonal distortion of the ferroelectric layer reaches up to 2 percent within 1.5 picoseconds and couples to the ferroelectric soft mode, or ion displacement within the unit cell. As a result, the macroscopic polarization is reduced by up to 100 percent with a 500 femtosecond delay that is due to final elongation time of the two anharmonically coupled modes. Femtosecond photoexcitation of organic chromophores in a molecular, polar crystal induces strong changes of the electronic dipole moment via intramolecular charge transfer. Ultrafast changes of transmitted X-ray intensity evidence an angular rotation of molecules around excited dipoles following the 10 picosecond kinetics of the charge transfer reaction. Transient X-ray scattering is governed by solvation, masking changes of the chromophore's molecular structure. (orig.)

  12. Femtosecond X-ray scattering in condensed matter

    International Nuclear Information System (INIS)

    Korff Schmising, Clemens von

    2008-01-01

    This thesis investigates the manifold couplings between electronic and structural properties in crystalline Perovskite oxides and a polar molecular crystal. Ultrashort optical excitation changes the electronic structure and the dynamics of the connected reversible lattice rearrangement is imaged in real time by femtosecond X-ray scattering experiments. An epitaxially grown superlattice consisting of alternating nanolayers of metallic and ferromagnetic strontium ruthenate (SRO) and dielectric strontium titanate serves as a model system to study optically generated stress. In the ferromagnetic phase, phonon-mediated and magnetostrictive stress in SRO display similar sub-picosecond dynamics, similar strengths but opposite sign and different excitation spectra. The amplitude of the magnetic component follows the temperature dependent magnetization square, whereas the strength of phononic stress is determined by the amount of deposited energy only. The ultrafast, phonon-mediated stress in SRO compresses ferroelectric nanolayers of lead zirconate titanate in a further superlattice system. This change of tetragonal distortion of the ferroelectric layer reaches up to 2 percent within 1.5 picoseconds and couples to the ferroelectric soft mode, or ion displacement within the unit cell. As a result, the macroscopic polarization is reduced by up to 100 percent with a 500 femtosecond delay that is due to final elongation time of the two anharmonically coupled modes. Femtosecond photoexcitation of organic chromophores in a molecular, polar crystal induces strong changes of the electronic dipole moment via intramolecular charge transfer. Ultrafast changes of transmitted X-ray intensity evidence an angular rotation of molecules around excited dipoles following the 10 picosecond kinetics of the charge transfer reaction. Transient X-ray scattering is governed by solvation, masking changes of the chromophore's molecular structure. (orig.)

  13. Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

    International Nuclear Information System (INIS)

    Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; Wall, Michael E.; Jackson, Colin J.; Sauter, Nicholas K.; Adams, Paul D.; Urzhumtsev, Alexandre; Fraser, James S.

    2015-01-01

    A method of simulating X-ray diffuse scattering from multi-model PDB files is presented. Despite similar agreement with Bragg data, different translation–libration–screw refinement strategies produce unique diffuse intensity patterns. Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls-as-xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis

  14. Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

    Energy Technology Data Exchange (ETDEWEB)

    Van Benschoten, Andrew H. [University of California San Francisco, San Francisco, CA 94158 (United States); Afonine, Pavel V. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Terwilliger, Thomas C.; Wall, Michael E. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Jackson, Colin J. [Australian National University, Canberra, ACT 2601 (Australia); Sauter, Nicholas K. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); University of California Berkeley, Berkeley, CA 94720 (United States); Urzhumtsev, Alexandre [Institut de Génétique et de Biologie Moléculaire et Cellulaire, CNRS–INSERM–UdS, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Université de Lorraine, BP 239, 54506 Vandoeuvre-les-Nancy (France); Fraser, James S., E-mail: james.fraser@ucsf.edu [University of California San Francisco, San Francisco, CA 94158 (United States)

    2015-07-28

    A method of simulating X-ray diffuse scattering from multi-model PDB files is presented. Despite similar agreement with Bragg data, different translation–libration–screw refinement strategies produce unique diffuse intensity patterns. Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls-as-xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.

  15. Possibility of single biomolecule imaging with coherent amplification of weak scattering x-ray photons.

    Science.gov (United States)

    Shintake, Tsumoru

    2008-10-01

    The number of photons produced by coherent x-ray scattering from a single biomolecule is very small because of its extremely small elastic-scattering cross section and low damage threshold. Even with a high x-ray flux of 3 x 10;{12} photons per 100-nm -diameter spot and an ultrashort pulse of 10 fs driven by a future x-ray free electron laser (x-ray FEL), it has been predicted that only a few 100 photons will be produced from the scattering of a single lysozyme molecule. In observations of scattered x rays on a detector, the transfer of energy from wave to matter is accompanied by the quantization of the photon energy. Unfortunately, x rays have a high photon energy of 12 keV at wavelengths of 1A , which is required for atomic resolution imaging. Therefore, the number of photoionization events is small, which limits the resolution of imaging of a single biomolecule. In this paper, I propose a method: instead of directly observing the photons scattered from the sample, we amplify the scattered waves by superimposing an intense coherent reference pump wave on it and record the resulting interference pattern on a planar x-ray detector. Using a nanosized gold particle as a reference pump wave source, we can collect 10;{4}-10;{5} photons in single shot imaging where the signal from a single biomolecule is amplified and recorded as two-dimensional diffraction intensity data. An iterative phase retrieval technique can be used to recover the phase information and reconstruct the image of the single biomolecule and the gold particle at the same time. In order to precisely reconstruct a faint image of the single biomolecule in Angstrom resolution, whose intensity is much lower than that of the bright gold particle, I propose a technique that combines iterative phase retrieval on the reference pump wave and the digital Fourier transform holography on the sample. By using a large number of holography data, the three-dimensional electron density map can be assembled.

  16. Anomalous X-ray diffraction from self-assembled PbSe/PbEuTe quantum dots

    International Nuclear Information System (INIS)

    Holy, V.; Schuelli, T.U.; Lechner, R.T.; Springholz, G.; Bauer, G.

    2005-01-01

    Anomalous X-ray scattering from self-assembled PbSe quantum dots embedded in Pb 1-x Eu x Te was used for the study of their structure. The measured reciprocal-space distributions of diffracted intensity were compared with simulations based on kinematical scattering theory and continuum elasticity. From the comparison, the mean chemical composition of the dots and their aspect ratio (height/width) were estimated

  17. Bone composition measured by x-ray scattering

    International Nuclear Information System (INIS)

    Newton, M.; Hukins, D.W.L.

    1992-01-01

    Ten composite samples consisting of cortical bone and adipose tissue, in known proportions, were made. The intensity of monochromatic x-rays (energy 8 keV) scattered by these samples was determined as a function of the modulus of the scattering vector, K. The ratio of the heights of peaks at K values of around 134 and 22 nm -1 provided a measure of the ratio of adipose tissue to bone mineral in these samples. This method was then used to determine the ratio of adipose tissue to mineral in samples of trabecular bone from 16 vertebral bodies. The results were correlated with measurements of the bone composition determined by ashing (r = 0.66) and histomorphometry (r = 0.66). Furthermore, the ashing and histomorphometry results were correlated with each other (r = 0.68). The feasibility of using higher energy x-rays (35-80 keV) for obtaining the same information from bone within the body is briefly discussed. (author)

  18. 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)

  19. 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)

  20. X-ray Laue diffraction with allowance for second derivatives of amplitudes in dynamical diffraction equations

    International Nuclear Information System (INIS)

    Balyan, M.K.

    2014-01-01

    Asymmetrical Laue diffraction in a perfect crystal with a plane entrance surface is considered. The second derivatives of amplitudes in the direction, perpendicular to diffraction plane in the dynamical diffraction equations are taken into account. Using the corresponding Green function a general form for the amplitude of diffracted wave in the crystal is derived. The sizes of the source in both directions as well as the source of crystal distance and non-monochromaticity of the radiation incident on the crystal are taken into account. On the basis of obtained expression the coherent properties of the field depending on the sizes of the source and on the width of the spectrum of the incident radiation are analyzed. Taking into account the second derivatives of amplitudes with respect to the direction, perpendicular to the diffraction plane, the time dependent propagation equations for an X-ray pulse in a perfect crystal are given

  1. Measurement of thickness of thin films by the X-ray diffraction method

    International Nuclear Information System (INIS)

    Srinivasan, C.; Balasingh, C.; Singh, A.K.

    1979-07-01

    X-ray diffraction method can be used to measure the thickness of thin films (coatings). The principle and the experimental details of the x-ray diffraction methods are described. The intensities of the diffracted beams are derived assuming a random orientation of the crystallites in the diffracting medium. Consequently, the expressions are not valid when the sample has preferred orientation. To check the performance of the method, thicknesses of nickel deposits on mild steel plates were determined by the x-ray diffraction method and the results compared with those obtained by the weighing method and metallographic examination. The weighing method which gives an accuracy of +- 0.1 micron is taken as the standard. The x-ray diffraction methods and the metallographic examinations give values within +- 1 micron of the value obtained by the weighing method. (author)

  2. Revisiting Bragg's X-ray microscope: scatter based optical transient grating detection of pulsed ionising radiation.

    Science.gov (United States)

    Fullagar, Wilfred K; Paganin, David M; Hall, Chris J

    2011-06-01

    Transient optical gratings for detecting ultrafast signals are routine for temporally resolved photochemical investigations. Many processes can contribute to the formation of such gratings; we indicate use of optically scattering centres that can be formed with highly variable latencies in different materials and devices using ionising radiation. Coherent light scattered by these centres can form the short-wavelength-to-optical-wavelength, incoherent-to-coherent basis of a Bragg X-ray microscope, with inherent scope for optical phasing. Depending on the dynamics of the medium chosen, the way is open to both ultrafast pulsed and integrating measurements. For experiments employing brief pulses, we discuss high-dynamic-range short-wavelength diffraction measurements with real-time optical reconstructions. Applications to optical real-time X-ray phase-retrieval are considered. Copyright © 2010 Elsevier B.V. All rights reserved.

  3. [X-ray diffraction experiments with condenser matter

    International Nuclear Information System (INIS)

    Coppens, P.

    1990-01-01

    This report discusses research on the following topics: high-T c superconductors; The response of crystal to an applied electric field; quasicrystals; surface structure and kinetics of surface layer formation; EXAFS studies of superconductors and heterostructures; effect of iron on the crystal structure of perovskite; x-ray detector development; and SAXS experiments

  4. Structural Investigations of Nanowires Using X-Ray Diffraction

    DEFF Research Database (Denmark)

    Stankevic, Tomas

    Advancements in growth of the nanowire-based devices opened another dimension of possible structures and material combinations, which nd their applications in a wide variety of elds, including everyday life. Characterization of such devices brings its own challenges and here we show that X-rays oer...

  5. X-ray powder diffraction in forensic practice

    Czech Academy of Sciences Publication Activity Database

    Kotrlý, M.; Bezdička, Petr

    2006-01-01

    Roč. 13, č. 3 (2006), s. 153-155 ISSN 1210-8529 R&D Projects: GA MV RN20052005001 Institutional research plan: CEZ:AV0Z40320502 Keywords : X-ray powder microdiffraction * pigments * forensic practice Subject RIV: CA - Inorganic Chemistry

  6. Refractive x-ray lens for high pressure diffraction

    International Nuclear Information System (INIS)

    Ohishi, Yasuo

    2001-01-01

    A stacked compound refractive x-ray lens was designed to produce a efficiently focused (φ 2 and a peak gain of 12, is well matched to these requirements. It is composed of many plastic chips made by molding, which is allowing many identical chips to be made precisely. Other advantages of this lens include high throughput, simple energy tunability and easy installation. (author)

  7. 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)

  8. X-ray atomic scattering factors of low-Z ions with a core hole

    International Nuclear Information System (INIS)

    Hau-Riege, Stefan P.

    2007-01-01

    Short and intense x-ray pulses may be used for atomic-resolution diffraction imaging of single biological molecules. One of the dominant damage mechanisms is atomic ionization, resulting in a large fraction of atoms with core holes. We calculated the atomic scattering factor of atoms with atomic charge numbers between 3 and 10 in different ionization states with and without a core hole. Our results show that orbital occupation and the change of the orbitals upon core ionization (core relaxation) have a significant impact on the diffraction pattern

  9. X-ray and neutron scattering investigations of YCo sub 3 -H

    Energy Technology Data Exchange (ETDEWEB)

    Benham, M J; Bennington, S M; Ross, D K [Birmingham Univ. (UK). School of Physics and Space Research; Noreus, D [Stockholm Univ. (Sweden). Dept. of Structural Chemistry; Yamaguchi, M [Yokohoma National Univ. (Japan). Dept. of Electrical and Computer Engineering

    1989-01-01

    Various structural studies of YCo{sub 3}H(D){sub x} in the {beta}-phase (0X-ray diffraction measurements determined that the expansion of the lattice is localised to components of the structure which are related to the Laves phase, YCo{sub 2}. Neutron diffraction and inelastic neutron scattering were also used in tandem, and hydrogen occupation of a single (36i) tetrahedral site was inferred for the entire concentration range. (orig.).

  10. X-ray diffraction line broadening due to dislocations in non-cubic materials. Pt. 1

    International Nuclear Information System (INIS)

    Klimanek, P.; Kuzel, R. Jr.

    1988-01-01

    Use is made of the theory of dislocation-induced X-ray diffraction line broadening in the form presented by Krivoglaz, Martynenko and Ryaboshapka to express the so-called orientation factors occurring in the relations of diffraction profile parameters (e.g. Fourier coefficients, line widths) in a form which systematically takes into account both the lattice geometry and the elastic behaviour of the scattering crystals. The formalism can be used, in principle, for any materials and types of dislocations. In the case of elastically isotropic media the orientation factors can be described by analytical expressions. The application of the formalism is demonstrated in some detail for various slip systems in hexagonal polycrystals with random orientation of grains. (orig.)

  11. Dehydration reactions of gypsum: A neutron and X-ray diffraction study

    Science.gov (United States)

    Abriel, W.; Reisdorf, K.; Pannetier, J.

    1990-03-01

    The kinetics of the dehydration of gypsum was investigated by powder diffraction methods. Using the incoherent scattering effect of H with the neutron beam, the background intensity as a measure of the water content was checked in the temperature range 295-623 K. The superposed Bragg peaks yielded four major phases: Gypsum, subhydratesCaSO 4(H 2O) x (1 > x > 0),AIII-CaSO 4, AII-CaSO 4. For the subhydrates a maximum water content of x > = 0.74was determined. A different kinetic was found using Guinier X-ray technique with the heated sample prepared on a thin foil. Only with high local H 2O steam pressure, produced in the comparable larger sample container of the neutron diffraction experiment, could this high H 2O occupation of the subhydrate tunnel structure be found. A topotactic mechanism can describe the phase transitions for this reaction.

  12. Physical methods for studying minerals and solid materials: X-ray, electron and neutron diffraction; scanning and transmission electron microscopy; X-ray, electron and ion spectrometry

    International Nuclear Information System (INIS)

    Eberhart, J.-P.

    1976-01-01

    The following topics are discussed: theoretical aspects of radiation-matter interactions; production and measurement of radiations (X rays, electrons, neutrons); applications of radiation interactions to the study of crystalline materials. The following techniques are presented: X-ray and neutron diffraction, electron microscopy, electron diffraction, X-ray fluorescence analysis, electron probe microanalysis, surface analysis by electron emission spectrometry (ESCA and Auger electrons), scanning electron microscopy, secondary ion emission analysis [fr

  13. Combining X-ray Absorption and X-ray Diffraction Techniques for in Situ Studies of Chemical Transformations in Heterogeneous Catalysis: Advantages and Limitations

    International Nuclear Information System (INIS)

    Frenkel, A.I.; Hanson, J.; Wang, Q.; Marinkovic, N.; Chen, J.G.; Barrio, L.; Si, R.; Lopez Camara, A.; Estrella, A.M.; Rodriguez, J.A.

    2011-01-01

    Recent advances in catalysis instrumentations include synchrotron-based facilities where time-resolved X-ray scattering and absorption techniques are combined in the same in situ or operando experiment to study catalysts at work. To evaluate the advances and limitations of this method, we performed a series of experiments at the new XAFS/XRD instrument in the National Synchrotron Light Source. Nearly simultaneous X-ray diffraction (XRD) and X-ray absorption fine-structure (XAFS) measurements of structure and kinetics of several catalysts under reducing or oxidizing conditions have been performed and carefully analyzed. For CuFe 2 O 4 under reducing conditions, the combined use of the two techniques allowed us to obtain accurate data on kinetics of nucleation and growth of metallic Cu. For the inverse catalyst CuO/CeO 2 that underwent isothermal reduction (with CO) and oxidation (with O 2 ), the XAFS data measured in the same experiment with XRD revealed strongly disordered Cu species that went undetected by diffraction. These and other examples emphasize the unique sensitivity of these two complementary methods to follow catalytic processes in the broad ranges of length and time scales.

  14. Low angle X-ray scattering in biological tissues

    International Nuclear Information System (INIS)

    Lemos, Carla; Braz, Delson; Pinto, Nivia G.V.; Lima, Joao C.; Castro, Carlos R.F.; Filgueiras, R.A.; Mendonca, Leonardo; Lopes, Ricardo T.; Barroso, Regina C.

    2007-01-01

    Low-angle x-ray scatter (LAXS) for tissue characterization is based on the differences which result from the interference of photons coherently scattered from molecules of each sample. Biological samples (bone, blood and blood components) have been studied in recent years in our laboratory using powder diffractometer. The scattering information was obtained using a Shimadzu DRX 6000 diffractometer at the Nuclear Instrumentation Laboratory, Rio de Janeiro, Brazil. Unpolarized monoenergetic Kα radiation from Cu provided 8.04 keV photons. The measurements were made in reflection mode (θ-2θ geometry), with the sample stationary on a goniometer which rotates the sample and detector about an axis lying in the plane of the top of the sample holder. LAXS profiles from whole blood, plasma and formed elements were measured to investigate the nature of scattering from such lyophilized samples. The statistical analysis shows that the variation found for the characterization parameters is significant for whole blood considering the age. Gender was positively associated with the variation of the second peak position for the profiles obtained for formed elements. The correlation of the measured relative coherent intensity with the mineral content in the bone samples was investigated. These results suggest that the measurement of bone mineral content within trabecular bone can be performed by using quantitative coherent scattering information. (author)

  15. Three-dimensional structure determination protocol for noncrystalline biomolecules using x-ray free-electron laser diffraction imaging.

    Science.gov (United States)

    Oroguchi, Tomotaka; Nakasako, Masayoshi

    2013-02-01

    Coherent and intense x-ray pulses generated by x-ray free-electron laser (XFEL) sources are paving the way for structural determination of noncrystalline biomolecules. However, due to the small scattering cross section of electrons for x rays, the available incident x-ray intensity of XFEL sources, which is currently in the range of 10(12)-10(13) photons/μm(2)/pulse, is lower than that necessary to perform single-molecule diffraction experiments for noncrystalline biomolecules even with the molecular masses of megadalton and submicrometer dimensions. Here, we propose an experimental protocol and analysis method for visualizing the structure of those biomolecules by the combined application of coherent x-ray diffraction imaging and three-dimensional reconstruction methods. To compensate the small scattering cross section of biomolecules, in our protocol, a thin vitreous ice plate containing several hundred biomolecules/μm(2) is used as sample, a setup similar to that utilized by single-molecule cryoelectron microscopy. The scattering cross section of such an ice plate is far larger than that of a single particle. The images of biomolecules contained within irradiated areas are then retrieved from each diffraction pattern, and finally provide the three-dimensional electron density model. A realistic atomic simulation using large-scale computations proposed that the three-dimensional structure determination of the 50S ribosomal subunit embedded in a vitreous ice plate is possible at a resolution of 0.8 nm when an x-ray beam of 10(16) photons/500×500 nm(2)/pulse is available.

  16. Characterization of diffraction gratings by use of a tabletop soft-x-ray laser

    International Nuclear Information System (INIS)

    Seminario, Max; Rocca, Jorge J.; Depine, Ricardo A.; Bach, Benny; Bach, Bernie

    2001-01-01

    We have demonstrated the use of a high-repetition-rate 46.9-mm tabletop laser to characterize diffraction gratings designed for grazing-incidence operation in the soft-x-ray spectral region. The efficiencies for various diffraction orders were measured as a function of angle of incidence and compared with the results of model simulations. This measurement technique provides benchmarks with which to improve electromagnetic codes used in the design of soft-x-ray diffraction gratings. The results illustrate the potential of compact tabletop soft-x-ray lasers for use as a new tool for characterization of short-wavelength optics at the manufacturer's site

  17. Review - X-ray diffraction measurements in high magnetic fields and at high temperatures

    Directory of Open Access Journals (Sweden)

    Yoshifuru Mitsui, Keiichi Koyama and Kazuo Watanabe

    2009-01-01

    Full Text Available A system was developed measuring x-ray powder diffraction in high magnetic fields up to 5 T and at temperatures from 283 to 473 K. The stability of the temperature is within 1 K over 6 h. In order to examine the ability of the system, the high-field x-ray diffraction measurements were carried out for Si and a Ni-based ferromagnetic shape-memory alloy. The results show that the x-ray powder diffraction measurements in high magnetic fields and at high temperatures are useful for materials research.

  18. Electronic structure of nanoscale Cu/Pt alloys: A combined X-ray diffraction and X-ray absorption investigations

    International Nuclear Information System (INIS)

    Chen Xing; Chu Wangsheng; Cai Quan; Xia Dingguo; Wu Zhonghua; Wu Ziyu

    2006-01-01

    PVP-protected Cu/Pt clusters were prepared by glycol/water reduction method and characterized with transmission electron microscopy (TEM), X-ray diffraction (XRD) and absorption spectra. TEM and XRD analysis show that the Cu/Pt clusters with different molar ratio have fcc structure with particle size of about 4 nm, while the lattice parameters in these clusters reduce with increasing Cu concentration. From the X-ray absorption near edge structure (XANES) at Cu-K edge and Pt-L 2,3 edge, we demonstrate that the d-electronic states of Cu and Pt are affected by the local environment as a function of Cu/Pt molar ratio. With increasing Cu concentration, Pt loses a fraction of 5d electrons and the hybridization between p- and d-states at Cu sites is enhanced

  19. Electronic structure of nanoscale Cu/Pt alloys: A combined X-ray diffraction and X-ray absorption investigations

    Energy Technology Data Exchange (ETDEWEB)

    Chen Xing [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Graduate School of the Chinese Academy of Sciences, 100864 Beijing (China); Chu Wangsheng [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); University of Science and Technology of China, Hefei, 230036 (China); Cai Quan [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Graduate School of the Chinese Academy of Sciences, 100864 Beijing (China); Xia Dingguo [College of Environmental and Energy Engineering, Beijing University of Technology, 100022 Beijing (China); Wu Zhonghua [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China); Wu Ziyu [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, CAS, Beijing (China) and National Center for Nanoscience and Technology (China)]. E-mail: wuzy@ihep.ac.cn

    2006-11-15

    PVP-protected Cu/Pt clusters were prepared by glycol/water reduction method and characterized with transmission electron microscopy (TEM), X-ray diffraction (XRD) and absorption spectra. TEM and XRD analysis show that the Cu/Pt clusters with different molar ratio have fcc structure with particle size of about 4 nm, while the lattice parameters in these clusters reduce with increasing Cu concentration. From the X-ray absorption near edge structure (XANES) at Cu-K edge and Pt-L{sub 2,3} edge, we demonstrate that the d-electronic states of Cu and Pt are affected by the local environment as a function of Cu/Pt molar ratio. With increasing Cu concentration, Pt loses a fraction of 5d electrons and the hybridization between p- and d-states at Cu sites is enhanced.

  20. Joint application of neutron and X-ray scattering for determination of atomic and electronic structures of molecules and crystals

    International Nuclear Information System (INIS)

    Ozerov, R.P.; Tsirel'son, V.G.

    1978-01-01

    The paper deals with the main principles of methods based on the joint neutron and x-ray diffraction studies. The methods allow one to obtain the information on the charge distribution in molecules in detail. Neutron scattering makes it possible to locate very closely the nucleus of atom or, more precisely, the gravity center of the ellipsoid of nuclear thermal oscillations. X-ray diffraction gives the distribution of electronic density at some distance from the shell gravity center. The joint diffraction method holds the promise and importance for solving physical-chemical problems

  1. X-ray diffraction studies of NbTe2 single crystal

    Indian Academy of Sciences (India)

    Unknown

    X-ray (EDAX) and remaining structural characterization was also accomplished by X-ray diffraction (XRD) studies. Lattice parameters, volume and ... The layered structure compound, NbTe2, is one of the typical materials which lead to charge .... financial assistance to carry out this work. References. Brown B E 1966 Acta ...

  2. Interaction between lipid monolayers and poloxamer 188: An X-ray reflectivity and diffraction study

    DEFF Research Database (Denmark)

    Wu, G.H.; Majewski, J.; Ege, C.

    2005-01-01

    The mechanism by which poloxamer 188 (P188) seals a damaged cell membrane is examined using the lipid monolayer as a model system. X-ray reflectivity and grazing-incidence x-ray diffraction results show that at low nominal lipid density, P188, by physically occupying the available area and phase ...

  3. Microprocessor-based system for automatic X-ray diffraction and fluorescence

    International Nuclear Information System (INIS)

    Souza, A.M. de; Carmo, L.C.S. do; Pereira, V.J.E.; Soares, E.A.

    1984-01-01

    A data acquisition and processing device appropriate for X-ray analysis and goniometer control was built. The Z-80 based system as well as the whole architeture is described. The advantages and new possibilities of the automated instrument as compared to the traditional ones are listed. The X-ray diffraction and fluorescence techniques can take advantage of the automation. (Author) [pt

  4. In Situ X-ray Diffraction Studies of (De)lithiation Mechanism in Silicon Nanowire Anodes

    KAUST Repository

    Misra, Sumohan; Liu, Nian; Nelson, Johanna; Hong, Seung Sae; Cui, Yi; Toney, Michael F.

    2012-01-01

    -Si product has been observed. In this work, we use an X-ray transparent battery cell to perform in situ synchrotron X-ray diffraction on SiNWs in real time during electrochemical cycling. At deep lithiation voltages the known metastable Li 15Si 4 phase forms

  5. X-ray Thomson Scattering from Spherically Imploded ICF Ablators

    Science.gov (United States)

    Kritcher, Andrea; Doeppner, Tilo; Landen, Otto; Glenzer, Siegfried

    2010-11-01

    Time-resolved X-ray Thomson scattering measurements from spherically imploded inertial fusion capsules-type targets have been obtained for the first time at the Omega OMEGA laser facility to characterize the in-flight properties of ICF ablators. In these experiments, the non-collective, or microscopic particle behavior, of imploding CH and Be shells, was probed using a 9 keV Zn He-alpha x-ray source at scattering angles of 113^o and 135^o. for two drive pulse shapes.As an example, the analysis of In-flight scattering measurements from one set of directly-driven compressed 8600 μm-diameter, 40-μm thick Be shells taken (4.2 ns after the start of the compression beamswhen compressed a factor of 4.83x) yielded electron densities of ˜ 1.2±0.23x10^24cm-3, temperatures of ˜13±32 eV, and an ionization state of Be(+2), with uncertainties in the temperature and density of about 40% and 20%. These conditions resulting in an inferred adiabat (ratio of plasma pressure to Fermi degenerate pressure) of 1.797 +0.3/-.5 with an error of about 30%. The high signal-to-noise and high signal-to-background ratio of data obtained in these experiments provides a platform for studying the adiabat of other indirect-drive ICF ablators such as CH and High Density Carbon (HDC) ablators and demonstrates the viability of using this diagnostic to study the in-flight properties adiabat of implosion targets at the National Ignition Facility (NIF).

  6. Time-Resolved X-Ray Diffraction: The Dynamics of the Chemical Bond

    DEFF Research Database (Denmark)

    Møller, Klaus Braagaard; Henriksen, Niels Engholm

    2012-01-01

    We review the basic theoretical formulation for pulsed X-ray scattering on nonstationary molecular states. Relevant time scales are discussed for coherent as well as incpherent X-ray pulses. The general formalism is applied to a nonstationary diatomic molecule in order to highlight the relation b...

  7. Curved anode wire chambers for x-ray diffraction applications

    International Nuclear Information System (INIS)

    Perez-Mendez, V.; Wiedenbeck, P.; Wagner, C.N.J.; Woelfel, E.

    1983-01-01

    Curved position sensitive proportional detectors are described. The first has a radius of curvature of 135 mm and a 60 0 angular range. The second has a radius of curvature of 360 mm and a 45 0 angular range. For high quantum efficiency for x-ray energies up to 60 keV, a relatively large x-ray path and high gas pressure are required. The anode wires are suspended in circular arcs by the interaction of a current flowing through them and a magnetic field provided by two permanent magnets placed above and below the wire running parallel to it over the full length of the curved chambers. Anode wire stability under the combined action of the magnetic and electrostatic forces is discussed

  8. Preferred orientation determination using line source x-ray diffraction

    International Nuclear Information System (INIS)

    Kimmel, G.; Shmarjahu, D.

    1977-10-01

    A texture goniometer has been attached to a diffractometer connected to a line-focus x-ray source. Reasonable results are obtained for the texture of rolled sheets and the test procedure is given. To illustrate the test procedure, the determination of preferred orientation in cold-rolled copper is described, as compared with random powder of sintered copper. Improvements of the measurements are proposed

  9. Probing Photoinduced Structural Phase Transitions by Fast or Ultra-Fast Time-Resolved X-Ray Diffraction

    Science.gov (United States)

    Cailleau, Hervé Collet, Eric; Buron-Le Cointe, Marylise; Lemée-Cailleau, Marie-Hélène Koshihara, Shin-Ya

    A new frontier in the field of structural science is the emergence of the fast and ultra-fast X-ray science. Recent developments in time-resolved X-ray diffraction promise direct access to the dynamics of electronic, atomic and molecular motions in condensed matter triggered by a pulsed laser irradiation, i.e. to record "molecular movies" during the transformation of matter initiated by light pulse. These laser pump and X-ray probe techniques now provide an outstanding opportunity for the direct observation of a photoinduced structural phase transition as it takes place. The use of X-ray short-pulse of about 100ps around third-generation synchrotron sources allows structural investigations of fast photoinduced processes. Other new X-ray sources, such as laser-produced plasma ones, generate ultra-short pulses down to 100 fs. This opens the way to femtosecond X-ray crystallography, but with rather low X-ray intensities and more limited experimental possibilities at present. However this new ultra-fast science rapidly progresses around these sources and new large-scale projects exist. It is the aim of this contribution to overview the state of art and the perspectives of fast and ultra-fast X-ray scattering techniques to study photoinduced phase transitions (here, the word ultra-fast is used for sub-picosecond time resolution). In particular we would like to largely present the contribution of crystallographic methods in comparison with optical methods, such as pump-probe reflectivity measurements, the reader being not necessary familiar with X-ray scattering. Thus we want to present which type of physical information can be obtained from the positions of the Bragg peaks, their intensity and their shape, as well as from the diffuse scattering beyond Bragg peaks. An important physical feature is to take into consideration the difference in nature between a photoinduced phase transition and conventional homogeneous photoinduced chemical or biochemical processes where

  10. X-ray small angle scattering of polymer solutions

    International Nuclear Information System (INIS)

    Koyama, Ryuzo

    1975-01-01

    In recent papers, the calculated results were reported on the angular dependence of the intensity of scattered light or X-ray by chain polymers, on the basis of a stiff chain model. As the results, the curves of S 2 P (theta) corresponding to Kratky plot, for different molecular expansion, showed a plateau, and the height of the plateau was proportional to the inverse of molecular expansion coefficient α 2 . But as seen later, there is some possibility that the assumption made in the calculation overestimated the expansion of small segments which theoretically determines scattering curves at large scattering angles, such as the plateau. Accordingly, modified calculation was carried out by adopting the stiff chain polymer model as the previous case. When the contour length of a chain segment is very long, it can be treated approximately as a Gaussian coil, thus the equation for a chain segment expansion coefficient α (t) was obtained. Then the mean square distance of chain segments of polymer molecules was able to be determined, and the equation for a particle scattering factor P(theta) was obtained. The numerical calculation of P(theta) showed that this modified assumption considerably decreased the effect of molecular expansion on P(theta), and the curves of S 2 P(theta) increased monotonously without showing the plateau. The result of this calculation was compared with the experimental curves of polystyrene-toluene solution, and the agreement better than before was obtained. (Kako, I.)

  11. Reflectivity and diffraction of X rays applied to organic thin films

    International Nuclear Information System (INIS)

    Rieutord, Francois

    1987-01-01

    This research thesis reports the study of organic thin films by using X-ray-based technologies, and more particularly X-ray reflectivity. After some recalls on X ray diffraction, and on the fabrication of Langmuir-Blodgett films, the author shows how, by combining three X-ray-based techniques, it is possible to study a volume structure of a thin film. He describes the technique of measurement by X- ray reflexivity, its experimental implementation, and methods for result interpretation. In the next part, the author reports the study of peculiar interference effects which are noticed in reflexivity on Langmuir-Blodgett films, and then describes the nature of these films by correlating results of X ray reflexivity with direct observations performed by electronic microscopy on replica [fr

  12. Time-Resolved Soft X-ray Diffraction Reveals Transient Structural Distortions of Ternary Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Klaus Mann

    2009-11-01

    Full Text Available Home-based soft X-ray time-resolved scattering experiments with nanosecond time resolution (10 ns and nanometer spatial resolution were carried out at a table top soft X-ray plasma source (2.2–5.2 nm. The investigated system was the lyotropic liquid crystal C16E7/paraffin/glycerol/formamide/IR 5. Usually, major changes in physical, chemical, and/or optical properties of the sample occur as a result of structural changes and shrinking morphology. Here, these effects occur as a consequence of the energy absorption in the sample upon optical laser excitation in the IR regime. The liquid crystal shows changes in the structural response within few hundred nanoseconds showing a time decay of 182 ns. A decrease of the Bragg peak diffracted intensity of 30% and a coherent macroscopic movement of the Bragg reflection are found as a response to the optical pump. The Bragg reflection movement is established to be isotropic and diffusion controlled (1 μs. Structural processes are analyzed in the Patterson analysis framework of the time-varying diffraction peaks revealing that the inter-lamellar distance increases by 2.7 Å resulting in an elongation of the coherently expanding lamella crystallite. The present studies emphasize the possibility of applying TR-SXRD techniques for studying the mechanical dynamics of nanosystems.

  13. Structural investigation of semi-conductor nanostructures by x-ray diffraction

    International Nuclear Information System (INIS)

    Stangl, J.

    2003-01-01

    Full text: Semiconductor nanostructures present a topic of increasing interest due to their potential for new device concepts, as well as from a scientific point of view. In structures with dimensions smaller than the DeBroglie wavelength of electrons or holes, quantum confinement effects determine the electronic and optical properties. For the understanding of such structures, their structural investigation, i.e., the determination of size, shape, chemical composition and strain state is mandatory. X-ray diffraction is a powerful technique for this purpose. In particular, the strain fields within nanostructures as well as in the surrounding matrix can be determined with high precision. Using synchrotron radiation sources, also the distribution of chemical composition within objects with typically several nm height and 10 to 100 nm width can be established. With x-ray diffraction, the non-destructive investigation of uncapped and buried structures is possible. The latter is important, as for applications buried structures are needed, and during capping the structural properties may change considerably. Here, we will focus on so-called self-assembled nanostructures, which form during the deposition of different semiconductors on top of each other. In contrast to structures etched after growth of planar layers, self organized islands or wires are virtually defect-free and hence promising for applications. Different scattering techniques sensitive to shape and/or composition and strain will be discussed. (author)

  14. Study of uniaxial nematic lyomesophases by x-ray diffraction and auxiliary techniques

    International Nuclear Information System (INIS)

    Bittencourt, D.R.S.

    1986-01-01

    The uniaxial lyotropic nematic liquid crystals made of amphiphile/water/decanol/salt have been studied. The amphiphiles sodium decyl sulphate and sodium dodecil sulphate have been used. Characterization of samples conditioned in plane and cylindrical cells has been made by orthoscopic polarized optical microscopy (OM) and X.ray diffraction (XD) by observation of orientation under surface and magnetic field effects. It was possible to determine the director orientation of uniaxial discotic (N D ) and cylindrical (N C ) samples under surface and magnetic effects by both OM and XD techniques in independent ways. The homologous amphiphilies sodium octil, decil and dodecil sulfate, in powder form, have been studied by Debye-Scherrer technique. Observed reflexions have been indexed and crystallographic parameters determined. Good agreement between calculated and measured densities has been obtained. A crysostat for temperature variation in the interval- 10 0 /60 0 has been constructed, XD diagrams has been obtained for sodium decil sulfate samples allowing determination of phase transitions of two systems. Scattering curves at room temperatures have been obtained in a small-angle X-ray diffractometer. Analysis of profiles allowed determination of short range positional order and correlation ranges. Interference function between scattering objects have been obtained using structural models for the micelles of the uniaxial nematic phases. (author) [pt

  15. Probing deformation substructure by synchrotron X-ray diffraction and dislocation dynamics modelling.

    Science.gov (United States)

    Korsunsky, Alexander M; Hofmann, Felix; Song, Xu; Eve, Sophie; Collins, Steve P

    2010-09-01

    Materials characterization at the nano-scale is motivated by the desire to resolve the structural aspects and deformation behavior at length scales relevant to those mechanisms that define the novel and unusual properties of nano-structured materials. A range of novel techniques has recently become accessible with the help of synchrotron X-ray beams that can be focused down to spot sizes of less than a few microns on the sample. The unique combination of tunability (energy selection), parallelism and brightness of synchrotron X-ray beams allows their use for high resolution diffraction (determination of crystal structure and transformations, analysis of dislocation sub-structures, orientation and texture analysis, strain mapping); small angle X-ray scattering (analysis of nano-scale voids and defects; orientation analysis) and imaging (radiography and tomography). After a brief review of the state-of-the-art capabilities for monochromatic and white beam synchrotron diffraction, we consider the usefulness of these techniques for the task of bridging the gap between experiment and modeling. Namely, we discuss how the experiments can be configured to provide information relevant to the validation and improvement of modeling approaches, and also how the results of various simulations can be post-processed to improve the possibility of (more or less) direct comparison with experiments. Using the example of some recent experiments carried out on beamline 116 at Diamond Light Source near Oxford, we discuss how such experimental results can be interpreted in view and in conjunction with numerical deformation models, particularly those incorporating dislocation effects, e.g., finite-element based pseudo-continuum strain gradient formulations, and discrete dislocation simulations. Post-processing of FE and discrete dislocation simulations is described, illustrating the kind of information that can be extracted from comparisons between modeling and experimental data.

  16. Transmission X-ray scattering as a probe for complex liquid-surface structures

    Energy Technology Data Exchange (ETDEWEB)

    Fukuto, Masafumi; Yang, Lin; Nykypanchuk, Dmytro; Kuzmenko, Ivan

    2016-01-28

    The need for functional materials calls for increasing complexity in self-assembly systems. As a result, the ability to probe both local structure and heterogeneities, such as phase-coexistence and domain morphologies, has become increasingly important to controlling self-assembly processes, including those at liquid surfaces. The traditional X-ray scattering methods for liquid surfaces, such as specular reflectivity and grazing-incidence diffraction, are not well suited to spatially resolving lateral heterogeneities due to large illuminated footprint. A possible alternative approach is to use scanning transmission X-ray scattering to simultaneously probe local intermolecular structures and heterogeneous domain morphologies on liquid surfaces. To test the feasibility of this approach, transmission small- and wide-angle X-ray scattering (TSAXS/TWAXS) studies of Langmuir films formed on water meniscus against a vertically immersed hydrophilic Si substrate were recently carried out. First-order diffraction rings were observed in TSAXS patterns from a monolayer of hexagonally packed gold nanoparticles and in TWAXS patterns from a monolayer of fluorinated fatty acids, both as a Langmuir monolayer on water meniscus and as a Langmuir–Blodgett monolayer on the substrate. The patterns taken at multiple spots have been analyzed to extract the shape of the meniscus surface and the ordered-monolayer coverage as a function of spot position. These results, together with continual improvement in the brightness and spot size of X-ray beams available at synchrotron facilities, support the possibility of using scanning-probe TSAXS/TWAXS to characterize heterogeneous structures at liquid surfaces.

  17. Probing warm dense lithium by inelastic X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Saiz, E; Riley, D [School of Mathematics and Physics, Queen' s University of Belfast, Belfast (United Kingdom); Gregori, G [Clarendon Laboratory, University of Oxford, Parks Road, Oxford (United Kingdom); Gregori, G; Clarke, R J; Neely, D; Notley, M M; Spindloe, C [Central Laser Facility, Rutherford Appleton Laboratory, Chilton, Didcot, OX (United Kingdom); Gericke, D O; Vorberger, J; Wunsch, K [Centre for Fusion, Space and Astrophysics, Department of Physics, University of Warwick, Coventry (United Kingdom); Barbrel, B; Koenig, M [Laboratoire pour l' Utilisation des Laser Intenses, Ecole Polytechnique - Universite Paris-6, 91 - Palaiseau (France); Freeman, R R; Weber, R L; Van Woerkom, L [Department of Physics, The Ohio State University, Columbus, Ohio (United States); Glenzer, S H; Landen, O L; Neumayer, P; Price, D [Lawrence Livermore National Laboratory, Livermore, California (United States); Khattak, F Y [Department of Physics, Kohat University of Science and Technology, Kohat-26000, NWFP (Pakistan); Pelka, A; Roth, M; Schollmeier, M [Institut fur Kernphysik, Technische Universitat Darmstadt (Germany)

    2008-10-15

    One of the grand challenges of contemporary physics is understanding strongly interacting quantum systems comprising such diverse examples as ultracold atoms in traps, electrons in high-temperature superconductors and nuclear matter. Warm dense matter, defined by temperatures of a few electron volts and densities comparable with solids, is a complex state of such interacting matter. Moreover, the study of warm dense matter states has practical applications for controlled thermonuclear fusion, where it is encountered during the implosion phase, and it also represents laboratory analogues of astrophysical environments found in the core of planets and the crusts of old stars. Here we demonstrate how warm dense matter states can be diagnosed and structural properties can be obtained by inelastic X-ray scattering measurements on a compressed lithium sample. Combining experiments and ab initio simulations enables us to determine its microscopic state and to evaluate more approximate theoretical models for the ionic structure. (authors)

  18. Anomalous x-ray scattering studies of functional disordered materials

    International Nuclear Information System (INIS)

    Kohara, S; Tajiri, H; Song, C H; Ohara, K; Temleitner, L; Sugimito, K; Fujiwara, A; Pusztai, L; Usuki, T; Hosokawa, S; Benino, Y; Kitamura, N; Fukumi, K

    2014-01-01

    We have developed anomalous x-ray scattering (AXS) spectrometers, that employ intrinsic Ge detectors and crystal analyzers, at SPring-8. The use of LiF analyzer crystal provides us with an energy resolution of ∼ 12 eV. Furthermore, it has been established that the use of AXS technique is essential to reveal the relationship between the atomic structure and its function of a fast phase-change material, Ge 2 Sb 2 Te 5 . We were able to address the issue of why the amorphous phase of fast phase change materials is stable at room temperature for a long time despite the fact that it can rapidly transform to the crystalline phase by using a combination of AXS and large scale density functional theory-based molecular dynamics simulations.

  19. Small angle X-ray scattering on concentrated hemoglobin solutions

    International Nuclear Information System (INIS)

    Zinke, M.; Damaschun, G.; Mueller, J.J.; Ruckpaul, K.

    1978-01-01

    The small-angle X-ray scattering technique was used to determine the intermolecular structure and interaction potentials in oxi-and deoxi-hemoglobin solutions. The pair correlation function obtained by the ZERNICKE-PRINS equation characterizes the intermolecular structure of the hemoglobin molecules. The intermolecular structure is concentration dependent. The hemoglobin molecules have a 'short range order structure' with a range of about 4 molecule diameters at 324 g/l. The potential functions of the hemoglobin-hemoglobin interaction have been determined on the basis of fluid theories. Except for the deoxi-hemoglobin solution having the concentration 370 g/l, the pair interaction consists in a short repulsion and a weak short-range attraction against kT. The potential minimum is between 1.2 - 1.5 nm above the greatest hemoglobin diameter. (author)

  20. Inelastic x-ray scattering from polycrystalline materials

    International Nuclear Information System (INIS)

    Fischer, I.

    2008-09-01

    Inelastic X-ray scattering (IXS) is a tool to determine the phonon dispersion along high symmetry directions in single crystals. However, novel materials and crystals under extreme conditions are often only available in form of polycrystalline samples. Thus the investigation is limited to orientation-averaged properties. To overcome these limitations, a methodology to extract the single crystal phonon dispersion from polycrystalline materials was developed. The approach consists of recording IXS spectra over a large momentum transfer region and confront them with a Born - von Karman model calculation. A least-square refinement of the model IXS spectra then provides the single crystal dispersion scheme. In this work the method is developed on the test case Be. Further studies were performed on more and more complex systems, in order to explore the limitations. This novel application of IXS promises to be a valuable tool in cases where single crystalline materials are not available. (author)

  1. 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

  2. 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)

  3. Unified Theory for Decoding the Signals from X-Ray Florescence and X-Ray Diffraction of Mixtures.

    Science.gov (United States)

    Chung, Frank H

    2017-05-01

    For research and development or for solving technical problems, we often need to know the chemical composition of an unknown mixture, which is coded and stored in the signals of its X-ray fluorescence (XRF) and X-ray diffraction (XRD). X-ray fluorescence gives chemical elements, whereas XRD gives chemical compounds. The major problem in XRF and XRD analyses is the complex matrix effect. The conventional technique to deal with the matrix effect is to construct empirical calibration lines with standards for each element or compound sought, which is tedious and time-consuming. A unified theory of quantitative XRF analysis is presented here. The idea is to cancel the matrix effect mathematically. It turns out that the decoding equation for quantitative XRF analysis is identical to that for quantitative XRD analysis although the physics of XRD and XRF are fundamentally different. The XRD work has been published and practiced worldwide. The unified theory derives a new intensity-concentration equation of XRF, which is free from the matrix effect and valid for a wide range of concentrations. The linear decoding equation establishes a constant slope for each element sought, hence eliminating the work on calibration lines. The simple linear decoding equation has been verified by 18 experiments.

  4. Structural investigation of GaInP nanowires using X-ray diffraction

    DEFF Research Database (Denmark)

    Kriegner, D.; Persson, Johan Mikael; Etzelstorfer, T.

    2013-01-01

    In this work the structure of ternary GaxIn1−xP nanowires is investigated with respect to the chemical composition and homogeneity. The nanowires were grown by metal–organic vapor-phase epitaxy. For the investigation of ensemble fluctuations on several lateral length scales, X-ray diffraction...... gradients along the sample by recording diffraction patterns at different positions. In addition, compositional variations were found also within single nanowires in X-ray energy dispersive spectroscopy measurements....

  5. Study of the solid solution formation in mixed oxides by X-ray diffraction

    International Nuclear Information System (INIS)

    Riella, H.G.

    1984-01-01

    A method to determine the plutonium distribution in mixed oxides - UO 2 /PuO 2 is described. The distribution function and the medium size of crystallite are obtained from the X-ray diffraction profile. Through the deconvolution by Fourier analysis, the X-ray diffraction profile is obtained without the influence of the difractrometer. Some experimental results for different samples of UO 2 -PuO 2 discussed. (Author) [pt

  6. On the evaluation of X-ray diffraction experiments by the regularization method

    Energy Technology Data Exchange (ETDEWEB)

    Trubin, V.A.; Szasz, A. (Lab. of Surface and Interface Physics, Eoetvoes Univ., Budapest (Hungary))

    1991-05-16

    The characteristic property of diffractometers as the presence of occasional and systematic errors in measured patterns requires such an evaluation which is as informative as possible. This circumstance gives rise to the problem of optimal planning of the experiment. The X-ray diffraction optimization problem with application of the regularization method is studied. The proposal permits to determine more accurately the unknown true characteristics of the X-ray diffraction experiment. (orig.).

  7. On the evaluation of X-ray diffraction experiments by the regularization method

    International Nuclear Information System (INIS)

    Trubin, V.A.; Szasz, A.

    1991-01-01

    The characteristic property of diffractometers as the presence of occasional and systematic errors in measured patterns requires such an evaluation which is as informative as possible. This circumstance gives rise to the problem of optimal planning of the experiment. The X-ray diffraction optimization problem with application of the regularization method is studied. The proposal permits to determine more accurately the unknown true characteristics of the X-ray diffraction experiment. (orig.)

  8. Density Determination of Metallic Melts from Diffuse X-Ray Scattering

    Science.gov (United States)

    Brauser, N.; Davis, A.; Greenberg, E.; Prakapenka, V. B.; Campbell, A.

    2017-12-01

    Liquids comprise several important structural components of the deep Earth, for example, the present outer core and a hypothesized magma ocean early in Earth history. However, the physical properties of the constituent materials of these structures at high pressures and temperatures are less well constrained than their crystalline counterparts. Determination of the physical properties of these liquids can inform geophysical models of the composition and structure of the Earth, but methods for studying the physical properties of liquids at high pressure and temperatures are underdeveloped. One proposed method for direct determination of density of a melt requires analysis of the diffuse scattered X-ray signal of the liquid. Among the challenges to applying this technique to high-pressure melts within a laser heated diamond anvil cell are the low signal-to-noise ratio and overlapping diffraction peaks from the crystalline components of the sample assembly interfering with the diffuse scattering from the liquid. Recent advances in instrumentation at synchrotron X-ray sources have made this method more accessible for determination of density of melted material. In this work we present the technique and report the densities of three high-pressure melts of the FCC metals iron, nickel, and gold derived from diffuse scattered X-ray spectra collected from in situ laser-heated diamond anvil cell synchrotron experiments. The results are compared to densities derived from shock wave experiments.

  9. A portable X-ray diffraction apparatus for in situ analyses of masters' paintings

    International Nuclear Information System (INIS)

    Eveno, Myriam; Duran, Adrian; Castaing, Jacques

    2010-01-01

    It is rare that the analyses of materials in paintings can be carried out by taking micro-samples. Valuable works of art are best studied in situ by non-invasive techniques. For that purpose, a portable X-ray diffraction and fluorescence apparatus has been designed and constructed at the C2RMF. This apparatus has been used for paintings of Rembrandt, Leonardo da Vinci, Van Gogh, Mantegna, etc. Results are given to illustrate the performance of X-ray diffraction, especially when X-ray fluorescence does not bring sufficient information to conclude. (orig.)

  10. A portable X-ray diffraction apparatus for in situ analyses of masters' paintings

    Science.gov (United States)

    Eveno, Myriam; Duran, Adrian; Castaing, Jacques

    2010-09-01

    It is rare that the analyses of materials in paintings can be carried out by taking micro-samples. Valuable works of art are best studied in situ by non-invasive techniques. For that purpose, a portable X-ray diffraction and fluorescence apparatus has been designed and constructed at the C2RMF. This apparatus has been used for paintings of Rembrandt, Leonardo da Vinci, Van Gogh, Mantegna, etc. Results are given to illustrate the performance of X-ray diffraction, especially when X-ray fluorescence does not bring sufficient information to conclude.

  11. 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.

  12. Instrumentation of x-ray diffraction and materials research on the National Synchrotron Light Source. Final report

    International Nuclear Information System (INIS)

    Liedl, G.L.

    1984-11-01

    MATRIX was organized in 1980 to formulate a research team to design and construct a beam line at NSLS for x-ray diffraction studies of materials. A versatile system was designed to allow a full range of experimental capabilities for wide angle x-ray scattering experiments including surface diffraction studies. The design and construction of the system has been completed. Testing of parts of the system was completed at CHESS and with x-ray sources or other equipment at member institutions. Installation of the beam line at NSLS is in progress and will proceed in parallel with the commissioning of the x-ray ring at NSLS. Full operation of the beam line is expected to be ready by December 1, 1984 being limited only by the source power of NSLS at that time. Useful experiments could be started if the power is at least 2 GeV and 100ma. The MATRIX beam line was one of the first x-ray beam lines to see light in the beam line in early spring of 1984. In July of 1984, the MATRIX beam line as the first port at NSLS to have a monochromatic beam and to scan part of the spectrum from the source. As part of this contract, six publications have resulted from the various projects. Three publications are concerned directly with the beam line and/or its operation while the other three publications are the result of research associated with the project

  13. Small angle neutron scattering and small angle X-ray scattering ...

    Indian Academy of Sciences (India)

    Abstract. The morphology of carbon nanofoam samples comprising platinum nanopar- ticles dispersed in the matrix was characterized by small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS) techniques. Results show that the structure of pores of carbon matrix exhibits a mass (pore) fractal nature ...

  14. X-ray diffraction study of surface-layer structure in parallel grazing rays

    International Nuclear Information System (INIS)

    Shtypulyak, N.I.; Yakimov, I.I.; Litvintsev, V.V.

    1989-01-01

    An x-ray diffraction method is described for study of thin polycrystalline and amorphous films and surface layers in an extremely asymmetrical diffraction system in parallel grazing rays using a DRON-3.0 diffractometer. The minimum grazing angles correspond to diffraction under conditions of total external reflection and a layer depth of ∼ 2.5-8 nm

  15. X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates

    Directory of Open Access Journals (Sweden)

    Katharina Fucke

    2010-07-01

    Full Text Available A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the molecular conformation, packing and hydrogen bonding in the crystal structure, while powder X-ray diffraction on bulk material can trace hydration/dehydration processes and phase transitions under non-ambient conditions. Neutron diffraction is a valuable complementary technique to X-ray diffraction and gives highly accurate hydrogen atom positions due to the interaction of the radiation with the atomic nuclei. Although not yet often applied to organic hydrates, neutron single crystal and neutron powder diffraction give precise structural data on hydrogen bonding networks which will help explain why hydrates form in the first place.

  16. Background removal in X-ray fiber diffraction patterns

    International Nuclear Information System (INIS)

    Millane, R.P.; Arnott, S.

    1985-01-01

    Background can be a major source of error in measurement of diffracted intensities in fiber diffraction patterns. Errors can be large when poorly oriented less-crystalline specimens give diffraction patterns with little uncontaminated background. A method for estimating and removing a general global background in such cases is described and illustrated with an example. (orig.)

  17. In-situ X-ray diffraction system using sources and detectors at fixed angular positions

    Science.gov (United States)

    Gibson, David M [Voorheesville, NY; Gibson, Walter M [Voorheesville, NY; Huang, Huapeng [Latham, NY

    2007-06-26

    An x-ray diffraction technique for measuring a known characteristic of a sample of a material in an in-situ state. The technique includes using an x-ray source for emitting substantially divergent x-ray radiation--with a collimating optic disposed with respect to the fixed source for producing a substantially parallel beam of x-ray radiation by receiving and redirecting the divergent paths of the divergent x-ray radiation. A first x-ray detector collects radiation diffracted from the sample; wherein the source and detector are fixed, during operation thereof, in position relative to each other and in at least one dimension relative to the sample according to a-priori knowledge about the known characteristic of the sample. A second x-ray detector may be fixed relative to the first x-ray detector according to the a-priori knowledge about the known characteristic of the sample, especially in a phase monitoring embodiment of the present invention.

  18. Resonant inelastic X-ray scattering of liquid water

    International Nuclear Information System (INIS)

    Nilsson, Anders; Tokushima, Takashi; Horikawa, Yuka; Harada, Yoshihisa; Ljungberg, Mathias P.; Shin, Shik; Pettersson, Lars G.M.

    2013-01-01

    Highlights: ► Two peaks are observed in the lone pair region of the XES spectrum of water assigned to tetrahedral and distorted hydrogen bonding configurations. ► The isotope effect observed as different relative peak heights is due to spectral line shape differences. ► The two different hydrogen bonding environments can be related to local structures mimicking either low density water or high density water. -- Abstract: We review recent studies using resonant inelastic X-ray scattering (RIXS) or also here denoted X-ray emission spectroscopy (XES) on liquid water and the assignment of the two sharp peaks in the lone-pair region. Using the excitation energy dependence we connect the two peaks to specific features in the X-ray absorption (XAS) spectrum which have independently been assigned to molecules in tetrahedral or distorted configurations. The polarization dependence shows that both peaks are of 1b 1 origin supporting an interpretation in terms of two structural species, tetrahedral or disordered, which is furthermore consistent with the temperature-dependence of the two peaks. We discuss effects of life-time vibrational interference and how this affects the two components differently and also leads to differences in the relative peak heights for H 2 O and D 2 O. We show furthermore that the inherent structure in molecular dynamics simulations contain the structural bimodality suggested by XES, but this is smeared out in the real structure when temperature is included. We present a discussion around alternative interpretations suggesting that the origin of the two peaks is related to ultrafast dissociation and show evidence that such a model is inconsistent with several experimental observations and theoretical concepts. We conclude that the peaks reflect a temperature-dependent balance in fluctuations between tetrahedral and disordered structures in the liquid. This is well-aligned with theories of water under supercooled conditions and higher pressures

  19. Resonant inelastic X-ray scattering of liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Anders, E-mail: nilsson@slac.stanford.edu [SUNCAT Ctr Interface Sci and Catalysis, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Department of Physics, AlbaNova University Center, Stockholm University, SE-10691 (Sweden); Tokushima, Takashi [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Horikawa, Yuka [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Harada, Yoshihisa [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Synchrotron Radiation Research Organization, The University of Tokyo, Sayo-cho, Sayo, Hyogo 679-5165 (Japan); Ljungberg, Mathias P. [Department of Physics, AlbaNova University Center, Stockholm University, SE-10691 (Sweden); Institut de Ciencia de Materials de Barcelona (ICMAB-CSIC), Campus UAB, E-08193 Bellaterra (Spain); Shin, Shik [RIKEN/Spring-8, Sayo-cho, Sayo, Hyogo 679-5148 (Japan); Institute for Solid State Physics (ISSP), The University of Tokyo, Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Synchrotron Radiation Research Organization, The University of Tokyo, Sayo-cho, Sayo, Hyogo 679-5165 (Japan); Pettersson, Lars G.M. [Department of Physics, AlbaNova University Center, Stockholm University, SE-10691 (Sweden)

    2013-06-15

    Highlights: ► Two peaks are observed in the lone pair region of the XES spectrum of water assigned to tetrahedral and distorted hydrogen bonding configurations. ► The isotope effect observed as different relative peak heights is due to spectral line shape differences. ► The two different hydrogen bonding environments can be related to local structures mimicking either low density water or high density water. -- Abstract: We review recent studies using resonant inelastic X-ray scattering (RIXS) or also here denoted X-ray emission spectroscopy (XES) on liquid water and the assignment of the two sharp peaks in the lone-pair region. Using the excitation energy dependence we connect the two peaks to specific features in the X-ray absorption (XAS) spectrum which have independently been assigned to molecules in tetrahedral or distorted configurations. The polarization dependence shows that both peaks are of 1b{sub 1} origin supporting an interpretation in terms of two structural species, tetrahedral or disordered, which is furthermore consistent with the temperature-dependence of the two peaks. We discuss effects of life-time vibrational interference and how this affects the two components differently and also leads to differences in the relative peak heights for H{sub 2}O and D{sub 2}O. We show furthermore that the inherent structure in molecular dynamics simulations contain the structural bimodality suggested by XES, but this is smeared out in the real structure when temperature is included. We present a discussion around alternative interpretations suggesting that the origin of the two peaks is related to ultrafast dissociation and show evidence that such a model is inconsistent with several experimental observations and theoretical concepts. We conclude that the peaks reflect a temperature-dependent balance in fluctuations between tetrahedral and disordered structures in the liquid. This is well-aligned with theories of water under supercooled conditions and

  20. Evaluation of In-Vacuum Imaging Plate Detector for X-Ray Diffraction Microscopy

    International Nuclear Information System (INIS)

    Nishino, Yoshinori; Takahashi, Yukio; Yamamoto, Masaki; Ishikawa, Tetsuya

    2007-01-01

    We performed evaluation tests of a newly developed in-vacuum imaging plate (IP) detector for x-ray diffraction microscopy. IP detectors have advantages over direct x-ray detection charge-coupled device (CCD) detectors, which have been commonly used in x-ray diffraction microscopy experiments, in the capabilities for a high photon count and for a wide area. The detector system contains two IPs to make measurement efficient by recording data with the one while reading or erasing the other. We compared speckled diffraction patterns of single particles taken with the IP and a direct x-ray detection CCD. The IP was inferior to the CCD in spatial resolution and in signal-to-noise ratio at a low photon count

  1. Structural studies using X-ray absorption and scattering techniques

    International Nuclear Information System (INIS)

    Ericson, Agneta.

    1989-01-01

    The thesis presents extended X-ray absorption fine structure, EXAFS, and large angle X-ray scattering, LAXS, techniques; instrumentation, data collection and reduction, and applications. These techniques have been used to determine the structures of magnesium halides and organomagnesium halides in diethyl ether and tetrahydrofuran solution. The iodides were used for the LAXS measurements and Br K edge EXAFS data were collected for the corresponding bromides. Two different complexes are present in the diethyl ether solution of magnesium iodide; a polymeric chain-type structure where magnesium is tetrahedrally coordinated, as well as dimeric complex with octahedrally coordinated magnesium. Solvated MgI + is the dominating species in tetrahydrofuran solution. The organomagnesium halides are present in diethyl ether solution as both solvated monomeric and dimeric complexes. Magnesium coordinates a halide ion, an alkyl or aryl group and four solvent molecules octahedrally in the monomeric complex. In the dimeric complex magnesium is octahedrally coordinated by two bridging halide ions, an alkyl or aryl group and three solvent molecules. The distribution of monomeric and dimeric complexes in various solutions are given by a dimerisation constant, K dl . The results indicate that the Schlenk equilibrium is present in these solutions, however, in an extended form. In diethyl ether solution, where MgX 2 does not dissociate, no MgX 2 complex and thereby no Schlenk equilibrium has been observed. In tetrahydrofuran solution MgI 2 has dissociated into mainly MgI + and I - . This indicates that the concentration of MgI 2 is low and that the Schlenk equilibrium should be expanded even further to include the dissociation equilibrium of the magnesium halide. In the thesis Fe K edge EXAFS data collected for the semireduced form of protein A of methane monooxygenase from Methylococcus capsulatus, are also presented. (139 refs.)

  2. Combining operando synchrotron X-ray tomographic microscopy and scanning X-ray diffraction to study lithium ion batteries

    Science.gov (United States)

    Pietsch, Patrick; Hess, Michael; Ludwig, Wolfgang; Eller, Jens; Wood, Vanessa

    2016-06-01

    We present an operando study of a lithium ion battery combining scanning X-ray diffraction (SXRD) and synchrotron radiation X-ray tomographic microscopy (SRXTM) simultaneously for the first time. This combination of techniques facilitates the investigation of dynamic processes in lithium ion batteries containing amorphous and/or weakly attenuating active materials. While amorphous materials pose a challenge for diffraction techniques, weakly attenuating material systems pose a challenge for attenuation-contrast tomography. Furthermore, combining SXRD and SRXTM can be used to correlate processes occurring at the atomic level in the crystal lattices of the active materials with those at the scale of electrode microstructure. To demonstrate the benefits of this approach, we investigate a silicon powder electrode in lithium metal half-cell configuration. Combining SXRD and SRXTM, we are able to (i) quantify the dissolution of the metallic lithium electrode and the expansion of the silicon electrode, (ii) better understand the formation of the Li15Si4 phase, and (iii) non-invasively probe kinetic limitations within the silicon electrode. A simple model based on the 1D diffusion equation allows us to qualitatively understand the observed kinetics and demonstrates why high-capacity electrodes are more prone to inhomogeneous lithiation reactions.

  3. Combining operando synchrotron X-ray tomographic microscopy and scanning X-ray diffraction to study lithium ion batteries

    Science.gov (United States)

    Pietsch, Patrick; Hess, Michael; Ludwig, Wolfgang; Eller, Jens; Wood, Vanessa

    2016-01-01

    We present an operando study of a lithium ion battery combining scanning X-ray diffraction (SXRD) and synchrotron radiation X-ray tomographic microscopy (SRXTM) simultaneously for the first time. This combination of techniques facilitates the investigation of dynamic processes in lithium ion batteries containing amorphous and/or weakly attenuating active materials. While amorphous materials pose a challenge for diffraction techniques, weakly attenuating material systems pose a challenge for attenuation-contrast tomography. Furthermore, combining SXRD and SRXTM can be used to correlate processes occurring at the atomic level in the crystal lattices of the active materials with those at the scale of electrode microstructure. To demonstrate the benefits of this approach, we investigate a silicon powder electrode in lithium metal half-cell configuration. Combining SXRD and SRXTM, we are able to (i) quantify the dissolution of the metallic lithium electrode and the expansion of the silicon electrode, (ii) better understand the formation of the Li15Si4 phase, and (iii) non-invasively probe kinetic limitations within the silicon electrode. A simple model based on the 1D diffusion equation allows us to qualitatively understand the observed kinetics and demonstrates why high-capacity electrodes are more prone to inhomogeneous lithiation reactions. PMID:27324109

  4. High-pressure x-ray diffraction study on lithium borohydride using a synchrotron radiation

    Science.gov (United States)

    Nakano, S.; Nakayama, A.; Kikegawa, T.

    2008-07-01

    Lithium borohydride (LiBH4) was compressed up to 10 GPa using a diamond-anvil-cell to investigate its high-pressure structure. In-situ x-ray diffraction profiles indicated a pressure-induced transformation at 1.1 GPa, which was consistent with the previous experimental observation such as Raman scattering spectroscopy. The high-pressure phase was indexed on a tetragonal symmetry of P42/mmc, which was not corresponding some structural models proposed by previous calculation studies. An unknown substance (presumably another Li-B-H compound), which was contained in the starting material, also transformed into its high-pressure phase at 0.6 GPa without any relation to the transformation of LiBH4.

  5. High-pressure x-ray diffraction study on lithium borohydride using a synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nakano, S [National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Nakayama, A [Department of Materials Science and Engineering, Meijo University, Nagoya 468-8502 (Japan); Kikegawa, T [Photon Factory (PF), Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Ibaraki 305-0801 (Japan)], E-mail: NAKANO.Satoshi@nims.go.jp

    2008-07-15

    Lithium borohydride (LiBH{sub 4}) was compressed up to 10 GPa using a diamond-anvil-cell to investigate its high-pressure structure. In-situ x-ray diffraction profiles indicated a pressure-induced transformation at 1.1 GPa, which was consistent with the previous experimental observation such as Raman scattering spectroscopy. The high-pressure phase was indexed on a tetragonal symmetry of P4{sub 2}/mmc, which was not corresponding some structural models proposed by previous calculation studies. An unknown substance (presumably another Li-B-H compound), which was contained in the starting material, also transformed into its high-pressure phase at 0.6 GPa without any relation to the transformation of LiBH{sub 4}.

  6. 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

  7. Applications of synchrotron x-ray diffraction topography to fractography

    International Nuclear Information System (INIS)

    Bilello, J.C.

    1983-01-01

    Fractographs have been taken using a variety of probes each of which produces different types of information. Methods which have been used to examine fracture surfaces include: (a) optical microscopy, particularly interference contrast methods, (b) scanning electron microscopy (SEM), (c) SEM with electron channelling, (d) SEM with selected-area electron channelling, (e) Berg-Barrett (B-B) topography, and now (f) synchrotron x-radiation fractography (SXRF). This review concentrated on the role that x-ray methods can play in such studies. In particular, the ability to nondestructively assess the subsurface microstructure associated with the fracture to depths of the order of 5 to 10 μm becomes an important attribute for observations of a large class of semi-brittle metals, semiconductors and ceramics

  8. Measuring the nematic order of suspensions of colloidal fd virus by x-ray diffraction and optical birefringence

    International Nuclear Information System (INIS)

    Purdy, Kirstin R.; Dogic, Zvonimir; Fraden, Seth; Ruehm, Adrian; Lurio, Lawrence; Mochrie, Simon G. J.

    2003-01-01

    The orientational distribution function of the nematic phase of suspensions of the semiflexible rodlike virus fd is measured by x-ray diffraction as a function of concentration and ionic strength. X-ray diffraction from a single-domain nematic phase of fd is influenced by interparticle correlations at low angle, while only intraparticle scatter contributes at high angle. Consequently, the angular distribution of the scattered intensity arises from only the single-particle orientational distribution function at high angle but it also includes spatial and orientational correlations at low angle. Experimental measurements of the orientational distribution function from both the interparticle (structure factor) and intraparticle (form factor) scattering were made to test whether the correlations present in interparticle scatter influence the measurement of the single-particle orientational distribution function. It was found that the two types of scatter yield consistent values for the nematic order parameter. It was also found that x-ray diffraction is insensitive to the orientational distribution function's precise form, and the measured angular intensity distribution is described equally well by both Onsager's trial function and a Gaussian. At high ionic strength, the order parameter S of the nematic phase coexisting with the isotropic phase approaches theoretical predictions for long semiflexible rods S=0.55, but deviations from theory increase with decreasing ionic strength. The concentration dependence of the nematic order parameter also better agrees with theoretical predictions at high ionic strength indicating that electrostatic interactions have a measurable effect on the nematic order parameter. The x-ray order parameters are shown to be proportional to the measured birefringence, and the saturation birefringence of fd is determined enabling a simple, inexpensive way to measure the order parameter. Additionally, the spatial ordering of nematic fd was probed

  9. The phases of Pb/Ge(111): A surface X-ray diffraction study

    International Nuclear Information System (INIS)

    Grey, F.

    1988-03-01

    This report describes the results of several surface X-ray diffraction measurements of a chemisorbed overlayer of Pb on the Ge(111) surface. Three phases of Pb/Ge(111) exist in the monolayer regime: the α- and β-phases with a √3x√3R30 0 unit cell, and a high-temperature 1x1 phase. In the 1x1 phase of Pb/Ge(111), isotropic X-ray scattering is observed consistent with a two-dimensional liquid phase. Measurements of the integer-order Bragg reflections through the √3x√3R30 0 →1x1 transition confirm the liquid-like nature of the 1x1 phase, and show that the liquid layer is modulated by the periodic potential of the substrate. By measuring variations of the (2/3,2/3) surface Bragg reflection from the √3x√3R30 0 phase as a function of temperature and coverage, a simple phase diagram for Pb/Ge(111) is deduced. Below 1/3ML (where 1 ML is one Pb atom per Ge surface atom) the α-phase coexists with the 1x1 phase. Between 1/3ML and 4/3ML, α- and β-phases form a two-phase system displaying phase separation. Analogies with simple theoretical phase diagrams are emphasized. (orig.) With 11 tabs., 40 figs., 67 refs

  10. Development of low temperature and high magnetic field X-ray diffraction facility

    Energy Technology Data Exchange (ETDEWEB)

    Shahee, Aga; Sharma, Shivani; Singh, K.; Lalla, N. P., E-mail: nplallaiuc82@gmail.com; Chaddah, P. [UGC-DAE Consortium for Scientific Research, University campus, Khandwa Road, Indore-452001 (India)

    2015-06-24

    The current progress of materials science regarding multifunctional materials (MFM) has put forward the challenges to understand the microscopic origin of their properties. Most of such MFMs have magneto-elastic correlations. To investigate the underlying mechanism it is therefore essential to investigate the structural properties in the presence of magnetic field. Keeping this in view low temperature and high magnetic field (LTHM) powder x-ray diffraction (XRD), a unique state-of-art facility in the country has been developed at CSR Indore. This setup works on symmetric Bragg Brentano geometry using a parallel incident x-ray beam from a rotating anode source working at 17 kW. Using this one can do structural studies at non-ambient conditions i.e. at low- temperatures (2-300 K) and high magnetic field (+8 to −8 T). The available scattering angle ranges from 5° to 115° 2θ with a resolution better than 0.1°. The proper functioning of the setup has been checked using Si sample. The effect of magnetic field on the structural properties has been demonstrated on Pr{sub 0.5}Sr{sub 0.5}MnO{sub 3} sample. Clear effect of field induced phase transition has been observed. Moreover, the effect of zero field cooled and field cooled conditions is also observed.

  11. X-ray and neutron diffraction studies of crystallinity in hydroxyapatite coatings.

    Science.gov (United States)

    Girardin, E; Millet, P; Lodini, A

    2000-02-01

    To standardize industrial implant production and make comparisons between different experimental results, we have to be able to quantify the crystallinity of hydroxyapatite. Methods of measuring crystallinity ratio were developed for various HA samples before and after plasma spraying. The first series of methods uses X-ray diffraction. The advantage of these methods is that X-ray diffraction equipment is used widely in science and industry. In the second series, a neutron diffraction method is developed and the results recorded are similar to those obtained by the modified X-ray diffraction methods. The advantage of neutron diffraction is the ability to obtain measurements deep inside a component. It is a nondestructive method, owing to the very low absorption of neutrons in most materials. Copyright 2000 John Wiley & Sons, Inc.

  12. X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase

    Energy Technology Data Exchange (ETDEWEB)

    Yennawar, Hemant [Pennsylvania State University, 8 Althouse Laboratory, University Park, PA 16802 (United States); Møller, Magda [Cornell High Energy Synchrotron Source, Ithaca, NY 14853 (United States); University of Copenhagen, DK-2100 Copenhagen (Denmark); Gillilan, Richard [Cornell High Energy Synchrotron Source, Ithaca, NY 14853 (United States); Yennawar, Neela, E-mail: nhy1@psu.edu [Pennsylvania State University, 8 Althouse Laboratory, University Park, PA 16802 (United States)

    2011-05-01

    The X-ray crystal structure and a small-angle X-ray scattering solution structure of sheep liver sorbitol dehydrogenase have been determined. The details of the interactions that enable the tetramer scaffold to be the functional biological unit have been analyzed. The X-ray crystal structure of sheep liver sorbitol dehydrogenase (slSDH) has been determined using the crystal structure of human sorbitol dehydrogenase (hSDH) as a molecular-replacement model. slSDH crystallized in space group I222 with one monomer in the asymmetric unit. A conserved tetramer that superposes well with that seen in hSDH (despite belonging to a different space group) and obeying the 222 crystal symmetry is seen in slSDH. An acetate molecule is bound in the active site, coordinating to the active-site zinc through a water molecule. Glycerol, a substrate of slSDH, also occupies the substrate-binding pocket together with the acetate designed by nature to fit large polyol substrates. The substrate-binding pocket is seen to be in close proximity to the tetramer interface, which explains the need for the structural integrity of the tetramer for enzyme activity. Small-angle X-ray scattering was also used to identify the quaternary structure of the tetramer of slSDH in solution.

  13. High Pressure X-Ray Diffraction Studies on Nanocrystalline Materials

    Science.gov (United States)

    Palosz, B.; Stelmakh, S.; Grzanka, E.; Gierlotka, S.; Pielaszek, R.; Bismayer, U.; Werner, S.; Palosz, W.

    2003-01-01

    Application of in situ high pressure powder diffraction technique for examination of specific structural properties of nanocrystals based on the experimental data of SiC nanocrystalline powders of 2 to 30 nrn diameter in diameter is presented. Limitations and capabilities of the experimental techniques themselves and methods of diffraction data elaboration applied to nanocrystals with very small dimensions (nanoparticles of different grain size.

  14. Density of bunched threading dislocations in epitaxial GaN layers as determined using X-ray diffraction

    Science.gov (United States)

    Barchuk, M.; Holý, V.; Rafaja, D.

    2018-04-01

    X-ray diffraction is one of the most popular experimental methods employed for determination of dislocation densities, as it can recognize both the strain fields and the local lattice rotations produced by dislocations. The main challenge of the quantitative analysis of the dislocation density is the formulation of a suitable microstructure model, which describes the dislocation arrangement and the effect of the interactions between the strain fields from neighboring dislocations reliably in order to be able to determine the dislocation densities precisely. The aim of this study is to prove the capability of X-ray diffraction and two computational methods, which are frequently used for quantification of the threading dislocation densities from X-ray diffraction measurements, in the special case of partially bunched threading dislocations. The first method is based on the analysis of the dislocation-controlled crystal mosaicity, and the other one on the analysis of diffuse X-ray scattering from threading dislocations. The complementarity of both methods is discussed. Furthermore, it is shown how the complementarity of these methods can be used to improve the results of the quantitative analysis of bunched and thus inhomogeneously distributed threading dislocations and to get a better insight into the dislocation arrangement.

  15. Measurement of grain size of polycrystalline materials with confocal energy dispersive micro-X-ray diffraction technology based on polycapillary X-ray optics

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Weiyuan; Liu, Zhiguo [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Sun, Tianxi, E-mail: stx@bnu.edu.cn [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Peng, Song [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Ma, Yongzhong [Center for Disease Control and Prevention of Beijing, Beijing 100013 (China); Li, Fangzuo; Sun, Xuepeng; Ding, Xunliang [The Key Laboratory of Beam Technology and Materials Modification of the Ministry of Education, Beijing Normal University, Beijing 100875 (China); College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China)

    2014-11-11

    The confocal energy dispersive micro-X-ray diffraction (EDMXRD) based on polycapillary X-ray optics was used to determine the grain size of polycrystalline materials. The grain size of a metallographic specimen of nickel base alloy was measured by using the confocal EDMXRD. The experimental results demonstrated that the confocal EDMXRD had potential applications in measuring large grain size.

  16. 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)

  17. A study of the reactivity of elemental Cr/Se/Te thin multilayers using X-ray reflectometry, in situ X-ray diffraction and X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Behrens, Malte; Tomforde, Jan; May, Enno; Kiebach, Ragnar; Bensch, Wolfgang; Haeussler, Dietrich; Jaeger, Wolfgang

    2006-01-01

    The reactivity of [Cr/Se/Te] multilayers under annealing was investigated using X-ray reflectometry, in situ X-ray diffraction, X-ray absorption fine structure (XAFS) measurements and transmission electron microscopy. For all samples, interdiffusion was complete at temperatures between 100 and 300 deg. C, depending on the repeating tri-layer thickness. A crystalline phase nucleated approximately 20 deg. C above the temperature where interdiffusion was finished. The first crystalline phase in a binary Cr/Te sample was layered CrTe 3 nucleating at 230 deg. C. In ternary samples (Se:Te=0.6-1.2), the low-temperature nucleation of such a layered CrQ 3 (Q=Se, Te) phase is suppressed and instead the phase Cr 2 Q 3 nucleates first. Interestingly, this phase decomposes around 500 deg. C into layered CrQ 3 . In contrast, binary Cr/Se samples form stable amorphous alloys after interdiffusion and Cr 3 Se 4 nucleates around 500 deg. C as the only crystalline phase. Evaluation of the XAFS data of annealed samples yield Se-Cr distances of 2.568(1) and 2.552(1) A for Cr 2 Q 3 and CrQ 3 , respectively. In the latter sample, higher coordination shells around Se are seen accounting for the Se-Te contacts in the structure. - Graphical abstract: The first step of the reaction of elemental Cr/Te/Se-multilayers is the interdiffusion of the elements as evidenced by the decay of the modulation peaks in the low-angle region of the X-ray diffraction patterns. The subsequent growth of Bragg peaks at higher scattering angles indicates crystallization of chromium chalcogenide Cr 2 Te 3- x Se x

  18. Spectroscopic and X-ray Diffraction Study of Structural Disorder in Cryomilled and Amorphous Griseofulvin

    International Nuclear Information System (INIS)

    Zarow, A.; Zhou, B.; Wang, X.; Pinal, R.; Iqbal, Z.

    2011-01-01

    Structural disorder induced by cryogenic milling and by heating to the amorphous phase in the active pharmaceutical ingredient Griseofulvin has been studied using Raman spectroscopy, X-ray powder diffraction (XRPD), and fluorescence spectroscopy. A broad, exciting-frequency-independent scattering background in the Raman spectra and changes in intensities and splitting of some of the Raman lines due to lattice and molecular modes have been observed. In the cryomilled samples this strong background is deconvoluted into two components: one due to lattice disorder induced by cryomilling and the other due to Mie scattering from nanosized crystallites. A single-component background scattering attributed to lattice disorder is seen in the Raman spectrum of the amorphous sample. Fluorescence measurements showed an intrinsic fluorescence signal in as-received Griseofulvin that does not correspond to the inelastic background in the Raman spectra and, moreover, decreases in intensity upon cryomilling, thus excluding an assignment of the Raman background intensity to impurity- or molecular-defect-induced fluorescence. Wide-angle XRPD measurements on cryomilled Griseofulvin shows a broad two-component background consistent with the background-scattering component in the Raman data associated with lattice disorder, but at longer correlation lengths. Persistence of this disorder to even longer lengths is evident in small-angle synchrotron XRPD data on micronized Griseofulvin taken as a function of temperature from the crystalline to the amorphous phase.

  19. Measurements of transient electron density distributions by femtosecond X-ray diffraction

    International Nuclear Information System (INIS)

    Freyer, Benjamin

    2013-01-01

    This thesis concerns measurements of transient charge density maps by femtosecond X-ray diffraction. Different X-ray diffraction methods will be considered, particularly with regard to their application in femtosecond X-ray diffraction. The rotation method is commonly used in stationary X-ray diffraction. In the work in hand an X-ray diffraction experiment is demonstrated, which combines the method with ultrafast X-ray pulses. This experiment is the first implementation which makes use of the rotation method to map transient intensities of a multitude of Bragg reflections. As a prototype material Bismuth is used, which previously was studied frequently by femtosecond X-ray diffraction by measuring Bragg reflections successively. The experimental results of the present work are compared with the literature data. In the second part a powder-diffraction experiment will be presented, which is used to study the dynamics of the electron-density distribution on ultrafast time scales. The experiment investigates a transition metal complex after photoexcitation of the metal to ligand charge transfer state. Besides expected results, i. e. the change of the bond length between the metal and the ligand and the transfer of electronic charge from the metal to the ligand, a strong contribution of the anion to the charge transfer was found. Furthermore, the charge transfer has predominantly a cooperative character. That is, the excitation of a single complex causes an alteration of the charge density of several neighboring units. The results show that more than 30 transition-metal complexes and 60 anions contribute to the charge transfer. This collective response is a consequence of the strong coulomb interactions of the densely packed ions.

  20. A synchrotron radiation camera and data acquisition system for time resolved x-ray scattering studies

    International Nuclear Information System (INIS)

    Bordas, J.; Koch, M.H.J.; Clout, P.N.; Dorrington, E.; Boulin, C.; Gabriel, A.

    1980-01-01

    Until recently, time resolved measurements of x-ray scattering patterns have not been feasible because laboratory x-ray sources were too weak and detectors unavailable. Recent developments in both these fields have changed the situation, and it is now possible to follow changes in x-ray scattering patterns with a time resolution of a few ms. The apparatus used to achieve this is described and some examples from recent biological experiments are given. (author)

  1. X-ray radiation damage of organic semiconductor thin films during grazing incidence diffraction experiments

    Energy Technology Data Exchange (ETDEWEB)

    Neuhold, A., E-mail: alfred.neuhold@tugraz.at [Institute of Solid State Physics, Graz University of Technology, Graz (Austria); Novak, J.; Flesch, H.-G.; Moser, A.; Djuric, T. [Institute of Solid State Physics, Graz University of Technology, Graz (Austria); Grodd, L.; Grigorian, S.; Pietsch, U. [Institute of Physics, University Siegen (Germany); Resel, R. [Institute of Solid State Physics, Graz University of Technology, Graz (Austria)

    2012-08-01

    Since modern synchrotrons with highly intense X-ray beams are in use to investigate organic materials, the stability of soft matter materials during beam exposure is a crucial issue. Grazing incidence X-ray diffraction and specular X-ray reflectivity measurements were performed on thin films of organic semiconducting materials, like poly(3-hexylthiophene) (P3HT), sexithiophene and pentacene. These films were irradiated with an average flux density between 10{sup 15} and 10{sup 16} photons/(s mm{sup 2}) and evidenced a different stability in synchrotron X-ray radiation. The semi-crystalline P3HT showed a clear intensity decrease of the 1 0 0 Bragg peak and 0 2 0 Bragg peak compared to the rather stable diffraction features of the molecular crystals sexithiophene and pentacene. The difference in synchrotron X-ray radiation stability is explained by the interaction of the X-ray beam with the individual chemical components in the molecules as well as by the different crystallinities of the materials. Furthermore, the semi-crystalline P3HT film exhibited an increase of film thickness after irradiation and the surface roughness slightly decreased. To summarize, this study shows a strong influence of synchrotron X-ray radiation to specific organic thin films like e.g. P3HT, while others like pentacene and sexithiophene are observed as quite stable.

  2. Three-Dimensional X-Ray Diffraction Technique for Metals Science

    DEFF Research Database (Denmark)

    Zhang, Yubin; Fan, Guohua

    2017-01-01

    The three-dimensional X-ray diffraction (3DXRD) is a new, advanced technique for materials characterization. This technique utilizes high-energy synchrotron X-rays to characterize the 3D crystallographic structure and strain/stress state of bulk materials. As the measurement is non......-destructive, the microstructural evolution as a function of time can be followed, i.e. it allows 4D (x, y, z characterizations, t). The high brilliance of synchrotron X-rays ensures that diffraction signals from volumes of micrometer scale can be quickly detected and distinguished from the background noise, i.e. its spatial...... implemented in several large synchrotron facilities, e.g. the Advanced Photon Source (APS) in USA and the Spring-8 in Japan. Another family of 3DXRD technique that utilizes white beam synchrotron X-rays has also been developed in parallel in cooperation between Oak Ridge National Laboratory and APS...

  3. New tubes and techniques for flash X-ray diffraction and high contrast radiography

    International Nuclear Information System (INIS)

    Charbonnier, F.M.; Barbour, J.P.; Brewster, J.L.

    High energy electrons are particularly efficient in producing characteristic X-rays and soft polychromatic. A line of wide spectrum beryllium window flash X-ray tubes, ranging from 150 to 600kV, has been developed to exploit this property. Laue and Debye Scherrer flash X-ray diffraction patterns have been obtained using a single 30 ns pulse exposure. X-ray diffraction tests obtained are shown. Extremely high contrast flash radiography of small, low density objects has been obtained using industrial film without screen. Alternatively, particularly at high voltages and for subjects which include a broad range of materials and thicknesses, special film techniques can be used to produce extremely wide latitudes. Equipment, techniques and results are discussed

  4. Measurements of accurate x-ray scattering data of protein solutions using small stationary sample cells

    Science.gov (United States)

    Hong, Xinguo; Hao, Quan

    2009-01-01

    In this paper, we report a method of precise in situ x-ray scattering measurements on protein solutions using small stationary sample cells. Although reduction in the radiation damage induced by intense synchrotron radiation sources is indispensable for the correct interpretation of scattering data, there is still a lack of effective methods to overcome radiation-induced aggregation and extract scattering profiles free from chemical or structural damage. It is found that radiation-induced aggregation mainly begins on the surface of the sample cell and grows along the beam path; the diameter of the damaged region is comparable to the x-ray beam size. Radiation-induced aggregation can be effectively avoided by using a two-dimensional scan (2D mode), with an interval as small as 1.5 times the beam size, at low temperature (e.g., 4 °C). A radiation sensitive protein, bovine hemoglobin, was used to test the method. A standard deviation of less than 5% in the small angle region was observed from a series of nine spectra recorded in 2D mode, in contrast to the intensity variation seen using the conventional stationary technique, which can exceed 100%. Wide-angle x-ray scattering data were collected at a standard macromolecular diffraction station using the same data collection protocol and showed a good signal/noise ratio (better than the reported data on the same protein using a flow cell). The results indicate that this method is an effective approach for obtaining precise measurements of protein solution scattering.

  5. Measurements of accurate x-ray scattering data of protein solutions using small stationary sample cells

    International Nuclear Information System (INIS)

    Hong Xinguo; Hao Quan

    2009-01-01

    In this paper, we report a method of precise in situ x-ray scattering measurements on protein solutions using small stationary sample cells. Although reduction in the radiation damage induced by intense synchrotron radiation sources is indispensable for the correct interpretation of scattering data, there is still a lack of effective methods to overcome radiation-induced aggregation and extract scattering profiles free from chemical or structural damage. It is found that radiation-induced aggregation mainly begins on the surface of the sample cell and grows along the beam path; the diameter of the damaged region is comparable to the x-ray beam size. Radiation-induced aggregation can be effectively avoided by using a two-dimensional scan (2D mode), with an interval as small as 1.5 times the beam size, at low temperature (e.g., 4 deg. C). A radiation sensitive protein, bovine hemoglobin, was used to test the method. A standard deviation of less than 5% in the small angle region was observed from a series of nine spectra recorded in 2D mode, in contrast to the intensity variation seen using the conventional stationary technique, which can exceed 100%. Wide-angle x-ray scattering data were collected at a standard macromolecular diffraction station using the same data collection protocol and showed a good signal/noise ratio (better than the reported data on the same protein using a flow cell). The results indicate that this method is an effective approach for obtaining precise measurements of protein solution scattering.

  6. On-axis microscopes for the inelastic x-ray scattering beamline at NSLS-II

    Energy Technology Data Exchange (ETDEWEB)

    Gofron, K. J., E-mail: kgofron@bnl.gov; Cai, Y. Q.; Coburn, D. S.; Antonelli, S.; Suvorov, A. [National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973 (United States); Flores, J. [Department of Physics and Astronomy, Stony Brook University, NY 11794 (United States)

    2016-07-27

    A novel on-axis X-ray microscope with 3 µm resolution, 3x magnification, and a working distance of 600 mm for in-situ sample alignment and X-ray beam visualization for the Inelastic X-ray Scattering (IXS) beamline at NSLS-II is presented. The microscope uses reflective optics, which minimizes dispersion, and allows imaging from Ultraviolet (UV) to Infrared (IR) with specifically chosen objective components (coatings, etc.). Additionally, a portable high resolution X-ray microscope for KB mirror alignment and X-ray beam characterization was developed.

  7. Dynamical x-ray diffraction studies of interfacial strain in superlattices grown by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Vandenberg, J.M.; Chu, S.N.G.; Hamm, R.A.; Panish, M.B.; Ritter, D.; Mancrander, A.T.

    1992-01-01

    This paper reports on dynamical X-ray diffraction studies that have been carried out for lattice-matched InGaAs/InP superlattices grown by modified molecular beam epitaxy (MBE) techniques. The (400) X-ray satellite pattern, which is predominantly affected by the strain modulation, was analyzed. The strain and thickness of the actual layers including the presence of strained interfacial regions were determined

  8. Model experiment of in vivo synchrotron X-ray diffraction of human kidney stones

    Energy Technology Data Exchange (ETDEWEB)

    Ancharov, A.I. [Institute of Solid State Chemistry and Mechanochemistry SB RAS, Novosibirsk (Russian Federation)]. E-mail: ancharov@mail.ru; Potapov, S.S. [Institute of Mineralogy UB RAS, Miass (Russian Federation); Moiseenko, T.N. [The State Regional Clinical Hospital, Novosibirsk (Russian Federation); Feofilov, I.V. [The State Regional Clinical Hospital, Novosibirsk (Russian Federation); Nizovskii, A.I. [Boreskov Institute of Catalysis SB RAS, Novosibirsk (Russian Federation)

    2007-05-21

    The diffraction of synchrotron radiation (SR) was used to explore the phase composition of kidney stones placed into a specific object phantom, which imitated the human body. As an imitation of the patient breath, the kidney stone was moved vertically and rotated to an angle of 15{sup o} during the recording of the X-ray pattern. It was shown that rotation and displacement did not distort the X-ray pattern.

  9. Model experiment of in vivo synchrotron X-ray diffraction of human kidney stones

    International Nuclear Information System (INIS)

    Ancharov, A.I.; Potapov, S.S.; Moiseenko, T.N.; Feofilov, I.V.; Nizovskii, A.I.

    2007-01-01

    The diffraction of synchrotron radiation (SR) was used to explore the phase composition of kidney stones placed into a specific object phantom, which imitated the human body. As an imitation of the patient breath, the kidney stone was moved vertically and rotated to an angle of 15 o during the recording of the X-ray pattern. It was shown that rotation and displacement did not distort the X-ray pattern

  10. Ultrafast Structural Dynamics in InSb Probed by Time-Resolved X-Ray Diffraction

    International Nuclear Information System (INIS)

    Chin, A.H.; Shank, C.V.; Chin, A.H.; Schoenlein, R.W.; Shank, C.V.; Glover, T.E.; Leemans, W.P.; Balling, P.

    1999-01-01

    Ultrafast structural dynamics in laser-perturbed InSb are studied using time-resolved x-ray diffraction with a novel femtosecond x-ray source. We report the first observation of a delay in the onset of lattice expansion, which we attribute to energy relaxation processes and lattice strain propagation. In addition, we observe direct indications of ultrafast disordering on a subpicosecond time scale. copyright 1999 The American Physical Society

  11. Diffractive-refractive optics: (+,-,-,+) X-ray crystal monochromator with harmonics separation

    Czech Academy of Sciences Publication Activity Database

    Hrdý, Jaromír; Mikulík, P.; Oberta, Peter

    2011-01-01

    Roč. 18, č. 2 (2011), s. 299-301 ISSN 0909-0495 R&D Projects: GA MPO FR-TI1/412 Institutional research plan: CEZ:AV0Z10100522 Keywords : diffractive-refractive optics * x-ray synchrotron radiation monochromator * x-ray crystal monochromator * harmonics separation Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.726, year: 2011

  12. Nano-fabrication of diffractive optics for soft X-ray and atom beam focusing

    International Nuclear Information System (INIS)

    Rehbein, S.

    2002-01-01

    Nano-structuring processes are described for manufacturing diffractive optics for the condenser-monochromator set-up of the transmission X-ray microscope (TXM) and for the scanning transmission X-ray microscope (STXM) at the BESSY II electron storage ring in Berlin. Furthermore, a process for manufacturing free-standing nickel zone plates for helium atom beam focusing experiments is presented. (author)

  13. X-Ray Thomson Scattering Without the Chihara Decomposition

    Science.gov (United States)

    Magyar, Rudolph; Baczewski, Andrew; Shulenburger, Luke; Hansen, Stephanie B.; Desjarlais, Michael P.; Sandia National Laboratories Collaboration

    X-Ray Thomson Scattering is an important experimental technique used in dynamic compression experiments to measure the properties of warm dense matter. The fundamental property probed in these experiments is the electronic dynamic structure factor that is typically modeled using an empirical three-term decomposition (Chihara, J. Phys. F, 1987). One of the crucial assumptions of this decomposition is that the system's electrons can be either classified as bound to ions or free. This decomposition may not be accurate for materials in the warm dense regime. We present unambiguous first principles calculations of the dynamic structure factor independent of the Chihara decomposition that can be used to benchmark these assumptions. Results are generated using a finite-temperature real-time time-dependent density functional theory applied for the first time in these conditions. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Security Administration under contract DE-AC04-94AL85000.

  14. A study on the measurement of effective energy of scattering X-rays

    International Nuclear Information System (INIS)

    Oogama, Noboru; Fujimoto, Nobuhisa; Nishitani, Motohiro; Yamada, Katsuhiko

    1995-01-01

    Only a few studies have been reported on the measurement and evaluation of the effective energy of scattering X-rays using an ionization chamber. The reason for this is due to the difficulty in accurately measuring attenuation curve in scattering X-rays lacking any directional properties. We could come up with a new method for calculating the effective energy of scattering X-rays by utilizing their spectra data. First, for analysing the accuracy of our calculation method with using primary X-rays, a comparison was made of calculated values of the effective energy obtained by our calculation method with the measurement values obtained using an ionization chamber. The results gave the calculated values agreeing with the measurement values within a maximum error of 2%, and this method was very helpful in measuring the effective energy of the scattering X-rays. Consequently, this method was capable of measuring the effective energy of scattering X-rays in the following parameters: X-ray tube voltage, scattering angle and size of scatterer. In conclusion, it is considered that our method could solve the present difficulty regarding the measurement of effective energy of the scattering X-rays, and provided a useful procedure concerning the study of radiation protection. (author)

  15. The discovery of X-ray diffraction by crystals and its great impact on science

    International Nuclear Information System (INIS)

    Mai Zhenhong

    2012-01-01

    In April 1912, Friedrich, Knipping and Laue discovered X-ray diffraction in a CuSO 4 crystal. Later, Laue derived the famous Laue equations which explain the diffraction phenomenon. For this, Laue was awarded a Nobel Prize for Physics in 1914. In 1912 W. H. Bragg and W. L. Bragg received news of Laue 's discovery, and from X-ray diffraction experiments in a ZnS crystal they derived the famous Bragg equation. For this work, father and son were together awarded the Nobel Prize for Physics in 1915, To commemorate the 100th anniversary of the discovery of X-ray diffraction, this article reviews the important contributions of the early pioneers and their historic impact on science and technology worldwide. (author)

  16. Mechanical characterisation of surface layers by x-ray diffraction -application to tribology

    International Nuclear Information System (INIS)

    Farrahi, G.H.

    1996-01-01

    The results presented in this paper show that X-ray diffraction can be employed for the characterisation of surface layer damage through residual stresses and work hardening by some tribological actions such as fretting and dry sliding. X-ray diffraction technique can also be employed for a rapid and non-destructive measurement of hardness of hardened steel. The diffraction profile analysis can offer a good indication about the materials characteristics and the microstructural evolution caused by heat treatment or by mechanical loading

  17. Determination of line profiles on nano-structured surfaces using EUV and x-ray scattering

    Science.gov (United States)

    Soltwisch, Victor; Wernecke, Jan; Haase, Anton; Probst, Jürgen; Schoengen, Max; Krumrey, Michael; Scholze, Frank; Pomplun, Jan; Burger, Sven

    2014-09-01

    Non-imaging techniques like X-ray scattering are supposed to play an important role in the further development of CD metrology for the semiconductor industry. Grazing Incidence Small Angle X-ray Scattering (GISAXS) provides directly assessable information on structure roughness and long-range periodic perturbations. The disadvantage of the method is the large footprint of the X-ray beam on the sample due to the extremely shallow angle of incidence. This can be overcome by using wavelengths in the extreme ultraviolet (EUV) spectral range, EUV small angle scattering (EUVSAS), which allows for much steeper angles of incidence but preserves the range of momentum transfer that can be observed. Generally, the potentially higher momentum transfer at shorter wavelengths is counterbalanced by decreasing diffraction efficiency. This results in a practical limit of about 10 nm pitch for which it is possible to observe at least the +/- 1st diffraction orders with reasonable efficiency. At the Physikalisch-Technische Bundesanstalt (PTB), the available photon energy range extends from 50 eV up to 10 keV at two adjacent beamlines. PTB commissioned a new versatile Ellipso-Scatterometer which is capable of measuring 6" square substrates in a clean, hydrocarbon-free environment with full flexibility regarding the direction of the incident light polarization. The reconstruction of line profiles using a geometrical model with six free parameters, based on a finite element method (FEM) Maxwell solver and a particle swarm based least-squares optimization yielded consistent results for EUV-SAS and GISAXS. In this contribution we present scatterometry data for line gratings and consistent reconstruction results of the line geometry for EUV-SAS and GISAXS.

  18. To the theory of X-ray and electron dynamic scattering in defect-containing crystals

    International Nuclear Information System (INIS)

    Chukhovskij, F.N.

    1982-01-01

    The novel approach to the X-ray and electron dynamic scattering theory based on the dynamic equations ''in the dispersion surface representation'' is formulated. The formally exact solution of two-wave diffraction scattering problem is obtained using the scattering matrix, the obvious expression for which is found. The general formulae describing the plane wave diffraction scattering in absorbing crystals in the weak distortion range has been obtained. The formulae allows one to determine the total change sign of the displacement function Δα(x,y)=2πg vectorx(R vector (r vector) 1 -R vector(r vector) 2 ) on the base of the known sign of the mean deflection magnitude in a crystal as a whole from the exact Bragg position (g vector - the inverse lattice vector, R vector - the displacement field vector, t - the crystal thickness, R vector(r vector) 1 =R vector (r) ar z=t, R vector(r vector) 2 =R(r) at z=0). In the quasiclassical approximation the formation of the diffraction image of a dislocation positioned in such a way that the dislocation axis is parallel to the diffraction reflection vector is considered for the incident plane and spherical waves

  19. Energy-dispersive X-ray diffraction beamline at Indus-2 synchrotron ...

    Indian Academy of Sciences (India)

    An energy-dispersive X-ray diffraction beamline has been designed, developed and commissioned at BL-11 bending magnet port of the Indian synchrotron source, Indus-2. The performance of this beamline has been benchmarked by measuring diffraction patterns from various elemental metals and standard inorganic ...

  20. In-situ X-ray diffraction : a useful tool to investigate hydride-formation reactions

    NARCIS (Netherlands)

    Notten, P.H.L.; Daams, J.L.C.; Veirman, de A.E.M.; Staals, A.A.

    1994-01-01

    A high-pressure X-ray diffraction (XRD) cell has been designed which allowed us to study simultaneously hydrogen absorption/desorption isotherms and XRD powder diffraction patterns on (de)hydrided intermetallic compounds. The hydride formation reaction was investigated in the case of LaNi5 under

  1. Small angle X ray diffraction investigation of twinned opal_like structures

    NARCIS (Netherlands)

    Samusev, A.K.; Sinev, I.S.; Samusev, K.B.; Rybin, M.V.; Mistonov, A.A.; Grigoryeva, N.A.; Grigoriev, S.V.; Petukhov, A.V.; Byelov, D.; Trofimova, E.Y.; Kurdyukov, D.A.; Golubev, V.G.; Limonov, M.F.

    2012-01-01

    Small angle X ray diffraction from synthetic opal films has been investigated as a function of the orientation of the sample. All the observed (hkl) diffraction reflections have been interpreted. The reconstruct tion of the reciprocal lattice of the studied opal films has been carried out. The

  2. Analytic theory of soft x-ray diffraction by lamellar multilayer gratings

    NARCIS (Netherlands)

    Kozhevnikov, I.V.; van der Meer, R.; Bastiaens, Hubertus M.J.; Boller, Klaus J.; Bijkerk, Frederik

    2011-01-01

    An analytic theory describing soft x-ray diffraction by Lamellar Multilayer Gratings (LMG) has been developed. The theory is derived from a coupled waves approach for LMGs operating in the single-order regime, where an incident plane wave can only excite a single diffraction order. The results from

  3. X-ray diffraction investigation of the sulphur induced 4x1 reconstruction of Ni(110)

    DEFF Research Database (Denmark)

    Foss, M.; Feidenhans'l, R.; Nielsen, M.

    1993-01-01

    The atomic structure of the Ni(110)4 x 1-S reconstruction has been determined on the basis of surface X-ray diffraction measurements. An analysis of the in-plane diffraction data shows that the model consists of Ni rows along the [001] direction, two for every 4 x 1 unit cell, corresponding to 0....

  4. Scanning small angle X-ray scattering investigations of bone

    International Nuclear Information System (INIS)

    Rinnerthaler, S.

    1998-06-01

    An important characteristic of bone is its strength, which is determined by bone mass, architecture and material quality. From a physical point of view bone is a composite material consisting of an organic matrix (collagen) and of inlets of mineral crystals (hydroxyapatite). These components build up a hierarchical, heterogeneous structure. The size of the mineral crystals lies in the nano-meter range and can be investigated by positionsensitive Small-Angle X-ray Scattering (Scanning-SAXS) in a non-destructive way. The average thickness, the degree and direction of the predominant orientation, as well as some information about shape and arrangement of the mineral crystals were determined in bones of humans, mice, and baboons by Scanning-SAXS with respect to age, bone diseases (osteogenesis imperfecta, pycnodysostosis) or medical treatments (fluoride or alendronate) of osteoporosis. The crystal thickness and the degree of orientation is much smaller in young individuals than in adults and the predominant orientation of the mineral crystals is different in a mixture of bone and mineralized cartilage compared to bone. Further, because position-resolved measurements are now possible, results from Scanning-SAXS measurements could be compared with the results of other position resolved methods. Due to this new feature it was possible, for the first time, to correlate directly 'mottled' bone visible in back-scattered electron imaging with small η-parameters evaluated from SAXS-patterns and the course of the collagen fibers with the predominant orientation of the mineral crystals. Scanning-SAXS proved to be a powerful tool to characterize bone nano-structure. (author)

  5. New structural studies of liquid crystal by reflectivity and resonant X-ray diffraction

    International Nuclear Information System (INIS)

    Fernandes, P.

    2007-04-01

    This memory presents three structural studies of smectic Liquid Crystals by reflectivity and resonant diffraction of X-rays. It is divided in five chapters. In the first a short introduction to Liquid Crystals is given. In particular, the smectic phases that are the object of this study are presented. The second chapter is consecrated to the X-ray experimental techniques that were used in this work. The three last chapters present the works on which this thesis can be divided. Chapter three demonstrates on free-standing films of MHPOBC (historic liquid crystal that possesses the antiferroelectric sub-phases) the possibility to extend the technique of resonant X-ray diffraction to liquid crystals without resonant element. In the fourth chapter the structure of the B 2 liquid crystal phase of bent-core molecules (or banana molecules) is elucidated by using resonant X-ray diffraction combined with polarization analysis of the diffracted beam. A model of the polarization of the resonant beam diffracted by four different structures proposed for the B 2 phase is developed in this chapter. In the fifth chapter a smectic binary mixture presenting a very original critical point of phase separation is studied by X-ray reflectivity and optical microscopy. A concentration gradient in the direction perpendicular to the plane of the film seems to be induced by the free-standing film geometry. The results of a simplified model of the system are compatible with this interpretation

  6. Takagi-Taupin description of x-ray dynamical diffraction from diffractive optics with large numerical aperture

    International Nuclear Information System (INIS)

    Yan Hanfei; Maser, Joerg; Macrander, Albert; Shen Qun; Vogt, Stefan; Stephenson, G. Brian; Kang, Hyon Chol

    2007-01-01

    We present a formalism of x-ray dynamical diffraction from volume diffractive optics with large numerical aperture and high aspect ratio, in an analogy to the Takagi-Taupin equations [Acta Crystallogr. 15, 1311 (1962); Bull. Soc. Fr. Mineral. Crystallogr. 87, 469 (1964)] for strained single crystals. We derive a set of basic equations for dynamical diffraction from volume diffractive optics, which enable us to study the focusing property of these optics with various grating profiles. We study volume diffractive optics that satisfy the Bragg condition to various degrees, namely, flat, tilted, and wedged geometries, and derive the curved geometries required for ultimate focusing. We show that the curved geometries satisfy both the Bragg condition everywhere and phase requirement for point focusing and effectively focus hard x rays to a scale close to the wavelength. Our calculations were made for an x-ray wavelength of 0.064 nm (19.5 keV)

  7. X-ray diffraction and X-ray K absorption near edge studies of copper (II) complexes with amino acids

    Science.gov (United States)

    Sharma, P. K.; Mishra, Ashutosh; Malviya, Varsha; Kame, Rashmi; Malviya, P. K.

    2017-05-01

    Synthesis of copper (II) complexes [CuL1L2X].nH2O, where n=1, 2,3 (X=Cl,Br,NO3) (L1is 2,2’-bipyridine and L2 is L-tyrosine) by the chemical root method. The XRD data for the samples have been recorded. EXAFS spectra have also been recorded at the K-edge of Cu using the dispersive beam line BL-8 at 2.5 Gev Indus-2 Synchrotron radiation source at RRCAT, Indore, India. XRD and EXAFS data have been analysed using the computer software. X-ray diffraction studies of all complexes indicate their crystalline nature. Lattice parameter, bond length, particle size have been determined from XRD data.

  8. X-ray diffraction study of the structure of detonation nanodiamonds

    International Nuclear Information System (INIS)

    Ozerin, A. N.; Kurkin, T. S.; Ozerina, L. A.; Dolmatov, V. Yu.

    2008-01-01

    The spatial structure of aggregates formed by detonation nanodiamonds is investigated using the wide-angle and small-angle X-ray scattering techniques. The effective sizes of crystallites and the crystallite size distribution function are determined. The shape of scattering aggregates is restored from the small-angle X-ray scattering data. An analysis of the results obtained allowed the conclusion that the nanodiamond aggregates have an extended spatial structure composed of nine to ten clusters, each involving four to five crystallites with a crystal lattice of the diamond type

  9. Development of a compact x-ray source via laser compton scattering at KEK-LUCX

    International Nuclear Information System (INIS)

    Sakaue, Kazuyuki; Washio, Masakazu; Aryshev, Alexander; Araki, Sakae; Urakawa, Junji; Terunuma, Nobuhiro; Fukuda, Masafumi; Miyoshi, Toshinobu; Takeda, Ayaki

    2013-01-01

    The compact X-ray source based on Laser-Compton scattering (LCS) has been developed at LUCX (Laser Undulator Compact X-ray source) facility in KEK. The multi-bunch high quality electron beam produced by a standing wave 3.6 cell RF Gun and accelerated by the followed S-band normal conducting 12 cells standing wave 'Booster' linear accelerator is scattered off the laser beam stored in the optical cavity. The 4-mirror planar optical cavity with finesse 335 is used. The MCP (Micro-Channer Plate) detector as well as SOI (Silicon-On-Insulator) pixel sensor was used for scattered X-ray detection. The SOI pixel sensor has been used for LCS X-ray detection for the first time and has demonstrated high spatial resolution and high SN ratio X-ray detection that in turn lead to clearest X-ray images achieved by LCS X-ray. We have also achieved generation of 6.38x10 6 ph./sec., which is more than 30 times larger LCS X-ray flux in comparison with our previous results. The complete details of LUCX LCS X-ray source, specifications of both electron and laser beams, and the results of LCS X-ray generation experiments are reported in this paper. (author)

  10. Data processing software suite SITENNO for coherent X-ray diffraction imaging using the X-ray free-electron laser SACLA

    International Nuclear Information System (INIS)

    Sekiguchi, Yuki; Oroguchi, Tomotaka; Takayama, Yuki; Nakasako, Masayoshi

    2014-01-01

    The software suite SITENNO is developed for processing diffraction data collected in coherent X-ray diffraction imaging experiments of non-crystalline particles using an X-ray free-electron laser. Coherent X-ray diffraction imaging is a promising technique for visualizing the structures of non-crystalline particles with dimensions of micrometers to sub-micrometers. Recently, X-ray free-electron laser sources have enabled efficient experiments in the ‘diffraction before destruction’ scheme. Diffraction experiments have been conducted at SPring-8 Angstrom Compact free-electron LAser (SACLA) using the custom-made diffraction apparatus KOTOBUKI-1 and two multiport CCD detectors. In the experiments, ten thousands of single-shot diffraction patterns can be collected within several hours. Then, diffraction patterns with significant levels of intensity suitable for structural analysis must be found, direct-beam positions in diffraction patterns determined, diffraction patterns from the two CCD detectors merged, and phase-retrieval calculations for structural analyses performed. A software suite named SITENNO has been developed to semi-automatically apply the four-step processing to a huge number of diffraction data. Here, details of the algorithm used in the suite are described and the performance for approximately 9000 diffraction patterns collected from cuboid-shaped copper oxide particles reported. Using the SITENNO suite, it is possible to conduct experiments with data processing immediately after the data collection, and to characterize the size distribution and internal structures of the non-crystalline particles

  11. Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers

    International Nuclear Information System (INIS)

    Parrot, I.M.; Urban, V.; Gardner, K.H.; Forsyth, V.T.

    2005-01-01

    The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar[reg] or Twaron[reg

  12. Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers.

    Energy Technology Data Exchange (ETDEWEB)

    Parrot, I. M. [Institut Laue-Langevin (ILL); Urban, Volker S [ORNL; Gardner, K. H. [DuPont Experimental Station; Forsyth, V. T. [Institut Laue Langevin and Keele University

    2005-04-01

    The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar{reg_sign} or Twaron{reg_sign}.

  13. Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers

    Science.gov (United States)

    Parrot, I. M.; Urban, V.; Gardner, K. H.; Forsyth, V. T.

    2005-08-01

    The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar® or Twaron®.

  14. Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers

    Energy Technology Data Exchange (ETDEWEB)

    Parrot, I.M. [Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble Cedex 9 (France); Institute of Science and Technology in Medicine, Keele University Medical School, Staffordshire ST4 7QB (United Kingdom); Urban, V. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831-6100 (United States); Gardner, K.H. [Department of Materials Science and Engineering University of Delaware, Newark, DE 19719 (United States); Forsyth, V.T. [Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble Cedex 9 (France) and Institute of Science and Technology in Medicine, Keele University Medical School, Staffordshire ST4 7QB (United Kingdom)]. E-mail: tforsyth@ill.fr

    2005-08-15

    The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar[reg] or Twaron[reg].

  15. Determination of the strain hardening rate of metals and alloys by X ray diffraction

    International Nuclear Information System (INIS)

    Cadalbert, Robert

    1977-01-01

    This report for engineering graduation is based on the study of X ray diffraction line profile which varies with the plastic strain rate of the metal. After some generalities of strain hardening (consequence of a plastic deformation on the structure of a polycrystalline metal, means to study a strain hardened structure, use of X ray diffraction to analyse the strain hardened crystalline structure), the author reports the strain hardening rate measurement by using X ray diffraction. Several aspects are addressed: principles, experimental technique, apparatus, automation and programming of the measurement cycle, method sensitivity and precision. In the next part, the author reports applications: measurement of the strain hardening rate in different materials (tubes with hexagonal profile, cylindrical tubes in austenitic steel), and study of the evolution of strain hardening with temperature [fr

  16. 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.

  17. Submicron x-ray diffraction and its applications to problems in materials and environmental science

    Science.gov (United States)

    Tamura, N.; Celestre, R. S.; MacDowell, A. A.; Padmore, H. A.; Spolenak, R.; Valek, B. C.; Meier Chang, N.; Manceau, A.; Patel, J. R.

    2002-03-01

    The availability of high brilliance third generation synchrotron sources together with progress in achromatic focusing optics allows us to add submicron spatial resolution to the conventional century-old x-ray diffraction technique. The new capabilities include the possibility to map in situ, grain orientations, crystalline phase distribution, and full strain/stress tensors at a very local level, by combining white and monochromatic x-ray microbeam diffraction. This is particularly relevant for high technology industry where the understanding of material properties at a microstructural level becomes increasingly important. After describing the latest advances in the submicron x-ray diffraction techniques at the Advanced Light Source, we will give some examples of its application in material science for the measurement of strain/stress in metallic thin films and interconnects. Its use in the field of environmental science will also be discussed.

  18. Submicron X-Ray Diffraction and its Applications to Problems in Materials and Environmental Science

    Energy Technology Data Exchange (ETDEWEB)

    Patel, J. R.

    2002-08-16

    The availability of high brilliance 3rd generation synchrotron sources together with progress in achromatic focusing optics allow to add submicron spatial resolution to the conventional century-old X-ray diffraction technique. The new capabilities include the possibility to map in-situ, grain orientations, crystalline phase distribution and full strain/stress tensors at a very local level, by combining white and monochromatic X-ray microbeam diffraction. This is particularly relevant for high technology industry where the understanding of material properties at a microstructural level becomes increasingly important. After describing the latest advances in the submicron X-ray diffraction techniques at the ALS, we will give some examples of its application in material science for the measurement of strain/stress in metallic thin films and interconnects. Its use in the field of environmental science will also be discussed.

  19. Submicron X-ray diffraction and its applications to problems in materials and environmental science

    Energy Technology Data Exchange (ETDEWEB)

    Tamura, N.; Celestre, R.S.; MacDowell, A.A.; Padmore, H.A.; Spolenak, R.; Valek, B.C.; Meier Chang, N.; Manceau, A.; Patel, J.R.

    2002-03-26

    The availability of high brilliance 3rd generation synchrotron sources together with progress in achromatic focusing optics allow to add submicron spatial resolution to the conventional century-old X-ray diffraction technique. The new capabilities include the possibility to map in-situ, grain orientations, crystalline phase distribution and full strain/stress tensors at a very local level, by combining white and monochromatic X-ray microbeam diffraction. This is particularly relevant for high technology industry where the understanding of material properties at a microstructural level becomes increasingly important. After describing the latest advances in the submicron X-ray diffraction techniques at the ALS, we will give some examples of its application in material science for the measurement of strain/stress in metallic thin films and interconnects. Its use in the field of environmental science will also be discussed.

  20. Magnetic hysteresis of an artificial square ice studied by in-plane Bragg x-ray resonant magnetic scattering

    Directory of Open Access Journals (Sweden)

    J. P. Morgan

    2012-06-01

    Full Text Available We report X-ray resonant magnetic scattering studies of a Permalloy artificial square ice nanomagnet array, focussing on the field-driven evolution of the sum Σ and difference Δ signals of left and right handed circularly polarized synchrotron X-rays at different lateral positions in reciprocal space Qx. We used X-rays tuned to the Fe L3 resonance energy, with the scattering plane aligned along a principal symmetry axis of the array. Details of the specular Δ hysteresis curve are discussed, following the system magnetization from an initial demagnetized state. The periodic structure gives rise to distinct peaks at in-plane reciprocal Bragg positions, as shown by fitting Σ(Qx to a model based on a simple unit cell structure. Diffraction order-dependent hysteresis in Δ is observed, indicative of the reordering of magnetization on the system's two interpenetrating sublattices, which markedly deviates from an ideal Ising picture under strong applied fields.

  1. Note: Application of a pixel-array area detector to simultaneous single crystal x-ray diffraction and x-ray absorption spectroscopy measurements

    International Nuclear Information System (INIS)

    Sun, Cheng-Jun; Brewe, Dale L.; Heald, Steve M.; Zhang, Bangmin; Chen, Jing-Sheng; Chow, G. M.; Venkatesan, T.

    2014-01-01

    X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) are two main x-ray techniques in synchrotron radiation facilities. In this Note, we present an experimental setup capable of performing simultaneous XRD and XAS measurements by the application of a pixel-array area detector. For XRD, the momentum transfer in specular diffraction was measured by scanning the X-ray energy with fixed incoming and outgoing x-ray angles. By selecting a small fixed region of the detector to collect the XRD signal, the rest of the area was available for collecting the x-ray fluorescence for XAS measurements. The simultaneous measurement of XRD and X-ray absorption near edge structure for Pr 0.67 Sr 0.33 MnO 3 film was demonstrated as a proof of principle for future time-resolved pump-probe measurements. A static sample makes it easy to maintain an accurate overlap of the X-ray spot and laser pump beam

  2. Structural characterization of self-assembled semiconductor islands by three-dimensional X-ray diffraction mapping in reciprocal space

    International Nuclear Information System (INIS)

    Holy, V.; Mundboth, K.; Mokuta, C.; Metzger, T.H.; Stangl, J.; Bauer, G.; Boeck, T.; Schmidbauer, M.

    2008-01-01

    For the first time self-organized epitaxially grown semiconductor islands were investigated by a full three-dimensional mapping of the scattered X-ray intensity in reciprocal space. Intensity distributions were measured in a coplanar diffraction geometry around symmetric and asymmetric Bragg reflections. The 3D intensity maps were compared with theoretical simulations based on continuum-elasticity simulations of internal strains in the islands and on kinematical scattering theory whereby local chemical composition and strain profiles of the islands were retrieved

  3. Anisotropy enhanced X-ray scattering from solvated transition metal complexes

    DEFF Research Database (Denmark)

    Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca

    2018-01-01

    Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray free-electron lasers (XFELs). This anisotropy arises from the interaction of a linearly polarized UV-Vis pump laser pulse with the sample......, which induces anisotropic structural changes that can be captured by femtosecond X-ray pulses. In this work, a method for quantitative analysis of the anisotropic scattering signal arising from an ensemble of molecules is described, and it is demonstrated how its use can enhance the structural...... sensitivity of the time-resolved X-ray scattering experiment. This method is applied on time-resolved X-ray scattering patterns measured upon photoexcitation of a solvated di-platinum complex at an XFEL, and the key parameters involved are explored. It is shown that a combined analysis of the anisotropic...

  4. Direct observation of ultrafast atomic motion using time-resolved X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Shymanovich, U.

    2007-11-13

    This thesis is dedicated to the study of the atomic motion in laser irradiated solids on a picosecond to subpicosecond time-scale using the time-resolved X-ray diffraction technique. In the second chapter, the laser system, the laser-plasma based X-ray source and the experimental setup for optical pump / X-ray probe measurements were presented. Chapter 3 is devoted to the characterization and comparison of different types of X-ray optics. Chapter 4 presented the time-resolved X-ray diffraction experiments performed for this thesis. The first two sections of this chapter discuss the measurements of initially unexpected strain-induced transient changes of the integrated reflectivity of the X-ray probe beam. The elimination of the strain-induced transient changes of the integrated reflectivity represented an important prerequisite to perform the study of lattice heating in Germanium after femtosecond optical excitation by measuring the transient Debye-Waller effect. The third section describes the investigations of acoustic waves upon ultrafast optical excitation and discusses the two different pressure contributions driving them: the thermal and the electronic ones. (orig.)

  5. Direct observation of ultrafast atomic motion using time-resolved X-ray diffraction

    International Nuclear Information System (INIS)

    Shymanovich, U.

    2007-01-01

    This thesis is dedicated to the study of the atomic motion in laser irradiated solids on a picosecond to subpicosecond time-scale using the time-resolved X-ray diffraction technique. In the second chapter, the laser system, the laser-plasma based X-ray source and the experimental setup for optical pump / X-ray probe measurements were presented. Chapter 3 is devoted to the characterization and comparison of different types of X-ray optics. Chapter 4 presented the time-resolved X-ray diffraction experiments performed for this thesis. The first two sections of this chapter discuss the measurements of initially unexpected strain-induced transient changes of the integrated reflectivity of the X-ray probe beam. The elimination of the strain-induced transient changes of the integrated reflectivity represented an important prerequisite to perform the study of lattice heating in Germanium after femtosecond optical excitation by measuring the transient Debye-Waller effect. The third section describes the investigations of acoustic waves upon ultrafast optical excitation and discusses the two different pressure contributions driving them: the thermal and the electronic ones. (orig.)

  6. X-ray, neutron, and electron scattering. Report of a materials sciences workshop

    International Nuclear Information System (INIS)

    1977-08-01

    The ERDA Workshop on X-ray, Neutron, and Electron Scattering to assess needs and establish priorities for energy-related basic research on materials. The general goals of the Workshop were: (1) to review various energy technologies where x-ray, neutron, and electron scattering techniques might make significant contributions, (2) to identify present and future materials problems in the energy technologies and translate these problems into requirements for basic research by x-ray, neutron, and electron scattering techniques, (3) to recommend research areas utilizing these three scattering techniques that should be supported by the DPR Materials Sciences Program, and (4) to assign priorities to these research areas

  7. Control of synchrotron x-ray diffraction by means of standing acoustic waves

    International Nuclear Information System (INIS)

    Zolotoyabko, E.; Quintana, J.P.

    2004-01-01

    Synchrotron x-ray diffraction measurements in quartz crystals of different thickness excited by standing acoustic waves were carried out at the Advanced Photon Source of Argonne National Laboratory. We demonstrated the ability to significantly modify the quartz rocking curves for 20-25 keV x rays by changing the shear wave parameters in the frequency range between 15 and 105 MHz. Dynamic deformation introduced into the crystal lattice by acoustic waves resulted in a remarkable broadening of the rocking curves. The broadening effect strongly depends on the strength of the ultrasound, which can be easily regulated by changing the acoustic amplitude or frequency near the resonance. The maximum rocking curve broadening reached 17 times, which corresponds to the wavelength band, Δλ/λ=4x10 -3 , when used as a monochromator or analyzer for 20-25 keV x rays. The initial rocking curve shape is restored by sweeping the acoustic frequency within a 50-100 kHz range near the resonance. The tunable broadening effect allows effective manipulation of x-ray intensities in time domain. Time-resolved x-ray diffraction measurements under a 19.6 MHz acoustic wave excitation were performed by synchronizing the acoustic wave and x-ray burst periodicity. We used the fact that twice per period the standing wave produces a zero net deformation across the crystal thickness. By introducing an oscillating delay to the acoustic excitation, we were able to effectively change the phase of the acoustic wave relative to the x-ray burst periodicity. The x-ray diffraction intensity was strongly affected by tuning the timing of the x-ray arrivals to the minimum or maximum acoustic deformation. A deep modulation of x rays was observed in a wide frequency range between 0.1 Hz and 1 MHz, which certifies that acoustically excited quartz crystals can potentially be used as slow and fast x-ray modulators with high duty cycle

  8. X-ray diffraction patterns of metal aurocyanides

    International Nuclear Information System (INIS)

    Selig, W.S.; Smith, G.S.; Harding, K.K.; Summers, L.J.

    1989-06-01

    Aurocyanides of the following metal cations have been prepared: Ag, Hg(II), Ga, Fe(III), Tl(I), Bi, Pb, Mn(II), Ni, Zn, Cu(II), Cd, In, and Co(II). Most of the aurocyanides are of the type M[Au(CN) 2 ] x where M is the metal cation and x its valence. However, under some conditions mixed aurocyanides containing K may be formed, such as KCo[Au(CN) 2 ] 3 . Only Ag and Hg(II) form aurocyanides which are sufficiently insoluble for the potentiometric determination of the aurocyanide anion. The diffraction patterns of the various aurocyanides are reported. 12 refs., 16 tabs

  9. X-ray diffraction microscopy based on refractive optics

    DEFF Research Database (Denmark)

    Poulsen, Henning Friis; Jakobsen, A. C.; Simons, Hugh

    2017-01-01

    A formalism is presented for dark‐field X‐ray microscopy using refractive optics. The new technique can produce three‐dimensional maps of lattice orientation and axial strain within millimetre‐sized sampling volumes and is particularly suited to in situ studies of materials at hard X‐ray energies....... An objective lens in the diffracted beam magnifies the image and acts as a very efficient filter in reciprocal space, enabling the imaging of individual domains of interest with a resolution of 100 nm. Analytical expressions for optical parameters such as numerical aperture, vignetting, and the resolution...

  10. Measurement of scattered and transmitted X-rays from intra-oral and panoramic dental X-ray equipment.

    Science.gov (United States)

    Holroyd, John Richard

    2018-04-10

    To quantify the levels of transmitted radiation arising from the use of intra-oral dental X-ray equipment and scattered radiation arising from the use of both intra-oral and panoramic X-ray equipment. Methods: Levels of scattered radiation were measured at 1 m from a phantom, using an 1800 cc ion chamber. Transmitted radiation was measured using both: i) a phantom and Dose Area Product (DAP) meter, ii) a patient and an 1800 cc ion chamber. Results: For intra-oral radiography the patient study gave a maximum transmission of 1.80% (range 0.04% to 1.80%, mean 0.26%) and the phantom study gave a maximum transmission of 6% (range 2% to 6%, mean 5%). The maximum scattered radiation, per unit DAP, was 5.5 nGy (mGy cm2)-1 at 70 kVp and a distance of 1 m. For panoramic radiography the maximum scattered radiation was 9.3 nGy (mGy cm2)-1 at 80 kVp and a distance of 1 m. Conclusions: Typical doses from scattered and transmitted radiation in modern dental practice have been measured and values are presented to enable the calculation of adequate protection measures for dental radiography rooms. Advances in knowledge: Previous studies have used a phantom and measured radiation doses at 1 m from the phantom to determine the radiation dose transmitted through a patient, whereas this study uses both patient and phantom measurements together with a large area dose meter, positioned to capture the entire X-ray beam, to ensure more realistic dose measurements can be made. © 2018 IOP Publishing Ltd.

  11. Coherent x-ray diffraction imaging of paint pigment particles by scanning a phase plate modulator

    International Nuclear Information System (INIS)

    Chu, Y.S.; Chen, B.; Zhang, F.; Berenguer, F.; Bean, R.; Kewish, C.; Vila-Comamala, J.; Rodenburg, J.; Robinson, I.

    2011-01-01

    We have implemented a coherent x-ray diffraction imaging technique that scans a phase plate to modulate wave-fronts of the x-ray beam transmitted by samples. The method was applied to measure a decorative alkyd paint containing iron oxide red pigment particles. By employing an iterative algorithm for wave-front modulation phase retrieval, we obtained an image of the paint sample that shows the distribution of the pigment particles and is consistent with the result obtained from a transmission x-ray microscope. The technique has been experimentally proven to be a feasible coherent x-ray imaging method with about 120 nm spatial resolution and was shown to work well with industrially relevant specimens.

  12. Correlation between protein sequence similarity and x-ray diffraction quality in the protein data bank.

    Science.gov (United States)

    Lu, Hui-Meng; Yin, Da-Chuan; Ye, Ya-Jing; Luo, Hui-Min; Geng, Li-Qiang; Li, Hai-Sheng; Guo, Wei-Hong; Shang, Peng

    2009-01-01

    As the most widely utilized technique to determine the 3-dimensional structure of protein molecules, X-ray crystallography can provide structure of the highest resolution among the developed techniques. The resolution obtained via X-ray crystallography is known to be influenced by many factors, such as the crystal quality, diffraction techniques, and X-ray sources, etc. In this paper, the authors found that the protein sequence could also be one of the factors. We extracted information of the resolution and the sequence of proteins from the Protein Data Bank (PDB), classified the proteins into different clusters according to the sequence similarity, and statistically analyzed the relationship between the sequence similarity and the best resolution obtained. The results showed that there was a pronounced correlation between the sequence similarity and the obtained resolution. These results indicate that protein structure itself is one variable that may affect resolution when X-ray crystallography is used.

  13. Diffractive-refractive optics: (+,-,-,+) X-ray crystal monochromator with harmonics separation.

    Science.gov (United States)

    Hrdý, Jaromír; Mikulík, Petr; Oberta, Peter

    2011-03-01

    A new kind of two channel-cut crystals X-ray monochromator in dispersive (+,-,-,+) position which spatially separates harmonics is proposed. The diffracting surfaces are oriented so that the diffraction is inclined. Owing to refraction the diffracted beam is sagittally deviated. The deviation depends on wavelength and is much higher for the first harmonics than for higher harmonics. This leads to spatial harmonics separation. The idea is supported by ray-tracing simulation.

  14. Long wave-length x-ray diffraction crystal and method of manufacturing same

    International Nuclear Information System (INIS)

    Zingaro, W.P.; Sicignano, A.

    1980-01-01

    An x-ray diffraction crystal of the Langemuir-Blodgett type capable of detecting radiation having a wavelength greater than 50 Arystroms and a method of making such a crystal are described. The crystal consists of a pair of alternate monolayers, one a heavy metal soap, and one a light metal soap. Selecting cation pairs with a significant difference in atomic number and dispersing power, such as Pb and Be, Mg, or Ca, increases the effective interplanar distance since the Pb planes cause the predominant x-ray diffraction. (LL)

  15. An introduction to three-dimensional X-ray diffraction microscopy

    DEFF Research Database (Denmark)

    Poulsen, Henning Friis

    2012-01-01

    Three-dimensional X-ray diffraction microscopy is a fast and nondestructive structural characterization technique aimed at studies of the individual crystalline elements (grains or subgrains) within millimetre-sized polycrystalline specimens. It is based on two principles: the use of highly...... penetrating hard X-rays from a synchrotron source and the application of tomographic reconstruction algorithms for the analysis of the diffraction data. In favourable cases, the position, morphology, phase and crystallographic orientation can be derived for up to 1000 elements simultaneously. For each grain...

  16. X-ray diffraction investigation of spin reorientation in SmFe2

    International Nuclear Information System (INIS)

    Gaviko, V.S.; Korolyov, A.V.; Mushnikov, N.V.

    1996-01-01

    Spontaneous magnetoelastic crystal lattice distortions in the spin reorientation region of high magnetostrictive SmFe 2 have been investigated by X-ray diffraction in the temperature range 80-300 K. Comparison of experimental shapes of X-ray diffraction lines with calculated shapes shows that, in the region of the spin reorientation transition, a mixture of left angle 110 right angle and left angle 111 right angle phases rather than the angular left angle uuw right angle -type phase is realized. The temperature dependence of the relative volume content of left angle 110 right angle and left angle 111 right angle phases is determined using least-squares fitting. (orig.)

  17. X-ray diffraction studies of chitosan acetate-based polymer electrolytes

    International Nuclear Information System (INIS)

    Osman, Z.; Ibrahim, Z.A.; Abdul Kariem Arof

    2002-01-01

    Chitosan is the product when partially deacetylated chitin dissolves in dilute acetic acid. This paper presents the x-ray diffraction patterns of chitosan acetate, plasticised chitosan acetate and plasticised-salted chitosan acetate films. The results show that the chitosan acetate based polymer electrolyte films are not completely amorphous but it is partially crystalline. X-ray diffraction study also confirms the occurrence of the complexation between chitosan and the salt and the interaction between salt and plasticizer. The salt-chitosan interaction is clearly justified by infrared spectroscopy. (Author)

  18. Determination of densities from chemical composition and X-Ray diffraction

    International Nuclear Information System (INIS)

    Azevedo, A.L.T. de

    1980-01-01

    X-ray diffraction method applied to retained austenite measurements gives volume per cent results, whereas the same kind of measurement made by Moessbauer Effect gives iron percentages. To compare both results one needs to convert the volume % to weight % or vice-versa. This necessitates, among other things, in determining the densities of the α and #betta# phases in the steel being studied. A method for calculating the densities, based on the application of the definition of density to just one unit cell, using X-ray diffraction and chemical results, are described. (Author) [pt

  19. Introducing the ARL X'Tra x-ray diffraction system

    International Nuclear Information System (INIS)

    Harris, L.

    2002-01-01

    Full text: The ARL X'Tra is a state-of-the-art solution for powder X-ray diffraction in a large range of applications such as pharmaceuticals and biosciences, chemicals, earth sciences, semi-conductors, metallurgy and ceramics. The X'Tra offers the latest technology in key diffraction components to produce a high performance instrument at an affordable price. This presentation examines some of the hardware and performance features of this instrument. Copyright (2002) Australian X-ray Analytical Association Inc

  20. Microstructural characterization of dental zinc phosphate cements using combined small angle neutron scattering and microfocus X-ray computed tomography

    Czech Academy of Sciences Publication Activity Database

    Viani, Alberto; Sotiriadis, Konstantinos; Kumpová, Ivana; Mancini, L.; Appavou, M.-S.

    2017-01-01

    Roč. 33, č. 4 (2017), s. 402-417 ISSN 0109-5641 R&D Projects: GA MŠk(CZ) LO1219 Keywords : zinc phosphate cements * small angle neutron scattering * X-ray micro-computed tomography * X-ray powder diffraction * zinc oxide * acid-base cements Subject RIV: JJ - Other Materials OBOR OECD: Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics Impact factor: 4.070, year: 2016 https://www.sciencedirect.com/science/article/pii/S0109564116305127

  1. Magnetic nanoparticles studied by small angle X-ray scattering

    International Nuclear Information System (INIS)

    Oliveira, Cristiano Luis Pinto; Antonel, Soledad; Negri, Martin

    2011-01-01

    because they exhibit magnetic (ferromagnetic) and electrical properties in the same material. Then, the nickel nanoparticles could be used for the development of electroelastic materials. In this case, the electrical conductivity of the material can be strongly dependent on the applied magnetic field, for example the case of nickel metal nanoparticles dispersed in a polymer, resulting in an anisotropic material with combined piezomagnetic and piezoelectric properties. In order to investigate the structural characteristics of cobalt-iron oxides and nickel nanoparticles, powder samples of those magnetic materials were studied by Small-Angle X-Ray Scattering. As will be shown, from the analysis and modeling of the scattering data, structural information could be obtained, enabling a detailed description of the structural properties of the studied samples which could be directly correlated to the magnetic properties. (author)

  2. Magnetic nanoparticles studied by small angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Cristiano Luis Pinto [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica. Grupo de Fluidos Complexos; Antonel, Soledad; Negri, Martin [Universidad de Buenos Aires (UBA) (Argentina). Facultad de Ciencias Exactas y Naturales. Dept. de Quimica Inorganica, Analitica y Quimica Fisica

    2011-07-01

    nanoparticles are very interesting because they exhibit magnetic (ferromagnetic) and electrical properties in the same material. Then, the nickel nanoparticles could be used for the development of electroelastic materials. In this case, the electrical conductivity of the material can be strongly dependent on the applied magnetic field, for example the case of nickel metal nanoparticles dispersed in a polymer, resulting in an anisotropic material with combined piezomagnetic and piezoelectric properties. In order to investigate the structural characteristics of cobalt-iron oxides and nickel nanoparticles, powder samples of those magnetic materials were studied by Small-Angle X-Ray Scattering. As will be shown, from the analysis and modeling of the scattering data, structural information could be obtained, enabling a detailed description of the structural properties of the studied samples which could be directly correlated to the magnetic properties. (author)

  3. X-ray topography using the forward transmitted beam under multiple-beam diffraction conditions

    Energy Technology Data Exchange (ETDEWEB)

    Tsusaka, Y., E-mail: tsusaka@sci.u-hyogo.ac.jp; Takano, H. [Graduate School of Material Science, University of Hyogo, 3-2-1, Kouto, Kamigori, Hyogo 678-1297 (Japan); Takeda, S. [SPring-8 Service Co., Ltd., 1-20-5, Kouto, Shingu, Tatsuno, Hyogo 679-5165 (Japan); Yokoyama, K.; Matsui, J. [Synchrotron Radiation Nanotechnology Center, University of Hyogo, 1-490-2, Kouto, Shingu, Tatsuno, Hyogo 679-5165 (Japan); Kagoshima, Y. [Graduate School of Material Science, University of Hyogo, 3-2-1, Kouto, Kamigori, Hyogo 678-1297 (Japan); Synchrotron Radiation Nanotechnology Center, University of Hyogo, 1-490-2, Kouto, Shingu, Tatsuno, Hyogo 679-5165 (Japan)

    2016-02-15

    X-ray topographs are taken for a sapphire wafer with the [0001] surface normal, as an example, by forward transmitted synchrotron x-ray beams combined with two-dimensional electronic arrays in the x-ray detector having a spatial resolution of 1 μm. They exhibit no shape deformation and no position shift of the dislocation lines on the topographs. Since the topography is performed under multiple-beam diffraction conditions, the topographic images of a single diffraction (two-wave approximation condition) or plural diffractions (six-wave approximation condition) can be recorded without large specimen position changes. As usual Lang topographs, it is possible to determine the Burgers vector of each dislocation line. Because of high parallelism of the incoming x-rays and linear sensitivity of the electronic arrays to the incident x-rays, the present technique can be used to visualize individual dislocations in single crystals of the dislocation density as high as 1 × 10{sup 5} cm{sup −2}.

  4. High resolution x-ray diffraction analyses of GaN/LiGaO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Matyi, R.J. [Department of Materials Science and Engineering University of Wisconsin, Madison, WI (United States); Doolittle, W.A.; Brown, A.S. [School of Electrical and Computer Engineering Georgia Institute of Technology, Atlanta, GA (United States)

    1999-05-21

    Lithium gallate (LiGaO{sub 2}) is gaining increasing attention as a potential substrate for the growth of the important semiconductor GaN. In order to better understand this material we have performed high-resolution double- and triple-axis x-ray diffraction analyses of both the starting LiGaO{sub 2} and GaN/LiGaO{sub 2} following epitaxial growth. A high-resolution triple-axis reciprocal space map of the substrate showed a sharp, well-defined crystal truncation rod and a symmetric streak of intensity perpendicular to q{sub 002}, suggesting high structural quality with mosaic spread. Triple-axis scans following GaN growth showed (1) the development of isotropic diffuse scatter around the LiGaO{sub 2} (002) reflection, (2) the presence of a semi-continuous intensity streak between the LiGaO{sub 2} (002) and GaN (0002) reflections, and (3) a compact pattern of diffuse scatter around the GaN (0002) reflection that becomes increasingly anisotropic as the growth temperature is increased. These results suggest that LiGaO{sub 2} permits the epitaxial growth of GaN with structural quality that may be superior to that observed when growth is performed on SiC or Al{sub 2}O{sub 3}. (author)

  5. On screening for Special Nuclear Materials (SNMs) with X-ray diffraction

    International Nuclear Information System (INIS)

    Harding, G.

    2010-01-01

    A novel detection technique employing X-ray diffraction (XRD) to screen for Special Nuclear Materials (SNMs), in particular for uranium, has been recently proposed. It is based on the interesting fact that uranium (and incidentally, plutonium) has a non-cubic lattice structure, in contrast to all other non-SNM, high-density elements of the Periodic Table. The principle of this screening technique is briefly elucidated by comparing the XRD lines of uranium with those of lead, a material of high atomic number (Z) commonly found in container traffic. Several physical conditions that must be satisfied to enable XRD for SNM screening are considered. To achieve adequate penetration, both of suspicious high-Z materials and their containers, photon energies of 1 MeV and above must be employed. Implications from partial coherence theory for the XRD measurement geometry at such photon energies are presented. The question of multiple scatter degradation of the coherent scatter signal is addressed. Technological considerations relevant to performing XRD at 1 MeV, particularly regarding the radiation source and detector, are discussed. A novel secondary aperture scheme permitting high energy XRD is presented. It is concluded that the importance of the application and the prospect of its feasibility are sufficient to warrant experimental verification.

  6. X-Ray and Neutron Scattering Study of the Magnetic Structure of Neodymium Metal

    DEFF Research Database (Denmark)

    Lebech, Bente; Als-Nielsen, Jens Aage; McEwen, K. A.

    1979-01-01

    A combined x-ray and neutron diffraction study has shown that the so-called "triple-q⃗" structure is not the correct model of the magnetic structure of neodymium. The x-ray data showed only the Bragg reflections originating from the double-hcp lattice. Hence, all additional reflections observed...

  7. Femtosecond X-ray diffraction from two-dimensional protein crystals

    Directory of Open Access Journals (Sweden)

    Matthias Frank

    2014-03-01

    Full Text Available X-ray diffraction patterns from two-dimensional (2-D protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permit a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy approach at the Linac Coherent Light Source, Bragg diffraction was acquired to better than 8.5 Å resolution for two different 2-D protein crystal samples each less than 10 nm thick and maintained at room temperature. These proof-of-principle results show promise for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals.

  8. Observation of parametric X-ray radiation in an anomalous diffraction region

    Energy Technology Data Exchange (ETDEWEB)

    Alexeyev, V.I., E-mail: vial@x4u.lebedev.ru [P.N. Lebedev Physical Institute RAS, 53 Leninskiy prospect, Moscow (Russian Federation); Belgorod National Research University, 85 Pobedy st., Belgorod (Russian Federation); Eliseyev, A.N., E-mail: elisseev@pluton.lpi.troitsk.ru [P.N. Lebedev Physical Institute RAS, 53 Leninskiy prospect, Moscow (Russian Federation); Belgorod National Research University, 85 Pobedy st., Belgorod (Russian Federation); Irribarra, E., E-mail: esteban.irribarra@epn.edu.ec [Escuela Politécnica Nacional, Ladrón de Guevara E11-253, Quito (Ecuador); Kishin, I.A., E-mail: ivan.kishin@mail.ru [P.N. Lebedev Physical Institute RAS, 53 Leninskiy prospect, Moscow (Russian Federation); Belgorod National Research University, 85 Pobedy st., Belgorod (Russian Federation); Kubankin, A.S., E-mail: kubankin@bsu.edu.ru [P.N. Lebedev Physical Institute RAS, 53 Leninskiy prospect, Moscow (Russian Federation); Belgorod National Research University, 85 Pobedy st., Belgorod (Russian Federation); Nazhmudinov, R.M., E-mail: fizeg@bk.ru [P.N. Lebedev Physical Institute RAS, 53 Leninskiy prospect, Moscow (Russian Federation); Belgorod National Research University, 85 Pobedy st., Belgorod (Russian Federation)

    2016-08-19

    A new possibility to expand the energy region of diffraction processes based on the interaction of relativistic charged particles with crystalline structures is presented. Diffracted photons related to parametric X-ray radiation produced by relativistic electrons are detected below the low energy threshold for the X-ray diffraction mechanism in crystalline structures for the first time. The measurements were performed during the interaction of 7 MeV electrons with a textured polycrystalline tungsten foil and a highly oriented pyrolytic graphite crystal. The experiment results are in good agreement with a developed model based on the PXR kinematical theory. The developed experimental approach can be applied to separate the contributions of real and virtual photons to the total diffracted radiation generated during the interaction of relativistic charged particles with crystalline targets. - Highlights: • Parametric X-ray radiation below the low energy threshold for diffraction of free X-rays. • Experimental separation of the contributions from different radiation mechanisms. • PXR from relativistic electrons in mosaic crystals and textured polycrystlas.

  9. Ordering parameters of three-dimensional ordered quantum-dot lattices determined by anomalous x-ray diffraction

    International Nuclear Information System (INIS)

    Lechner, R.T.; Springholz, G.; Stangl, J.; Raab, A.; Bauer, G.; Schuelli, T.U.; Holy, V.; Metzger, T.H.

    2004-01-01

    Three dimensional (3D) quantum dot structures can be obtained, e.g., by the growth of self-assembled quantum dot multilayers in which vertically and laterally ordered dot superstructures are formed as a result of the elastic interlayer dot interactions between the dots. This not only results in a significant narrowing of the size distribution, but different 3D interlayer correlations can be obtained by changes in the spacer thickness, as has been demonstrated for the PbSe/PbEuTe quantum dot material system. Apart from microscopic techniques, x-ray diffraction is a very powerful tool to characterize the ordering in such 3D assembled quantum dot structures. However, the analysis of the diffraction spectra is usually complicated by the weak scattering contrast between the self-assembled quantum dots and the surrounding matrix material. In the present work, we therefore employ anomalous x-ray diffraction with synchrotron radiation to drastically enhance the chemical contrast in such multilayers by tuning the wavelength close to an inner shell absorption resonance. This technique is applied to determine the ordering of differently stacked self-assembled PbSe quantum dot lattices fabricated by molecular beam epitaxy. In this case, the x-ray wavelength is tuned to the Pb M-shell at 5.1 Aato enhance the scattering contrast between the PbSe dots and the matrix material in comparison to the results obtained using conventional x-ray wavelengths around 1.5 Aa. As a result, it is shown that the lateral ordering is significantly better for 3D trigonal PbSe dot superlattices as compared to those with 3D hexagonal dot arrangement. (author)

  10. New software to model energy dispersive X-ray diffraction in polycrystalline materials

    Energy Technology Data Exchange (ETDEWEB)

    Ghammraoui, B., E-mail: bahaa.ghammraoui@cea.fr [CEA-Leti, MINATEC Campus, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Tabary, J. [CEA-Leti, MINATEC Campus, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Pouget, S. [CEA-INAC Sciences de la matieres, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Paulus, C.; Moulin, V.; Verger, L. [CEA-Leti, MINATEC Campus, 17 rue des Martyrs, F 38054 Grenoble, Cedex 9 (France); Duvauchelle, Ph. [CNDRI-Insa Lyon, Universite de Lyon, F-69621, Villeurbanne Cedex (France)

    2012-02-01

    Detection of illicit materials, such as explosives or drugs, within mixed samples is a major issue, both for general security and as part of forensic analyses. In this paper, we describe a new code simulating energy dispersive X-ray diffraction patterns in polycrystalline materials. This program, SinFullscat, models diffraction of any object in any diffractometer system taking all physical phenomena, including amorphous background, into account. Many system parameters can be tuned: geometry, collimators (slit and cylindrical), sample properties, X-ray source and detector energy resolution. Good agreement between simulations and experimental data was obtained. Simulations using explosive materials indicated that parameters such as the diffraction angle or the energy resolution of the detector have a significant impact on the diffraction signature of the material inspected. This software will be a convenient tool to test many diffractometer configurations, providing information on the one that best restores the spectral diffraction signature of the materials of interest.

  11. Two new tensile devices for X-ray diffraction experiments

    International Nuclear Information System (INIS)

    Freri, N.; Tintori, A.; Depero, L.E.; Sangaletti, L.; Cernuschi, F.; Ghia, S.

    1995-12-01

    Two tensile devices were designed to be used with parallel beam and parafocusing-geometry diffractometers. In the first case the device was designed to be attached to a strainflex diffractometer by Rigaku Inc., dedicated to stress analysis and commonly used in metallurgical industry. Since the sample does not move during the measurement, the tensile device can be kept fixed on the experimental table. The device design takes into account the steric hindrance by moving parts of diffractometer. The maximun load that can be applied to the sample is 60.000 N. An attachement to a Siemens D5000 diffractometer with Eulerian cradle has also benn designed for applying a load up tp 6000 N to a sample in the parafocusing-geometry. The installation does not require a re-alignment of the diffractometer. In both cases strain gages were applied to both sides of the specimen for the simultaneous determination of the macroscopic strains. Experiments based on the use of these devices are planned to determine the crystallographic elastic constants and study the influence of the microstructure on the mechanical behaviour of residual stresses in the zone of almost static stresses as well as the influence of residual stresses on uniaxially loaded samples. In addition, by using these devices, it is possible to measure the unstressed d-0 spacings providing useful information in the neutron diffraction study fo stress fields in steel samples

  12. Two new tensile devices for X-ray diffraction experiments

    Energy Technology Data Exchange (ETDEWEB)

    Freri, N.; Tintori, A.; Depero, L.E.; Sangaletti, L. [Brescia Univ. (Italy); Cernuschi, F.; Ghia, S. [Ente Nazionale per l`Energia Elettrica, Milan (Italy)

    1995-12-01

    Two tensile devices were designed to be used with parallel beam and parafocusing-geometry diffractometers. In thefirst case the device was designed to be attached to a strainflex diffractometer by Rigaku Inc., dedicated to stress analysis and commonly used in metallurgical industry. Since the sample does not move during the measurement, the tensile device can be kept fixed on the experimental table. The device design takes into account the steric hindrance by moving parts of diffractometer. The maximun load that can be applied to the sample is 60.000 N. An attachement to a Siemens D5000 diffractometer with Eulerian cradle has also benn designed for applying a load up tp 6000 N to a sample in the parafocusing-geometry. The installation does not require a re-alignment of the diffractometer. In both cases strain gages were applied to both sides of the specimen for the simultaneous determination of the macroscopic strains. Experiments based on the use of these devices are planned to determine the crystallographic elastic constants and study the influence of the microstructure on the mechanical behaviour of residual stresses in the zone of almost static stresses as well as the influence of residual stresses on uniaxially loaded samples. In addition, by using these devices, it is possible to measure the unstressed d-0 spacings providing useful information in the neutron diffraction study fo stress fields in steel samples.

  13. Coded diffraction system in X-ray crystallography using a boolean phase coded aperture approximation

    Science.gov (United States)

    Pinilla, Samuel; Poveda, Juan; Arguello, Henry

    2018-03-01

    Phase retrieval is a problem present in many applications such as optics, astronomical imaging, computational biology and X-ray crystallography. Recent work has shown that the phase can be better recovered when the acquisition architecture includes a coded aperture, which modulates the signal before diffraction, such that the underlying signal is recovered from coded diffraction patterns. Moreover, this type of modulation effect, before the diffraction operation, can be obtained using a phase coded aperture, just after the sample under study. However, a practical implementation of a phase coded aperture in an X-ray application is not feasible, because it is computationally modeled as a matrix with complex entries which requires changing the phase of the diffracted beams. In fact, changing the phase implies finding a material that allows to deviate the direction of an X-ray beam, which can considerably increase the implementation costs. Hence, this paper describes a low cost coded X-ray diffraction system based on block-unblock coded apertures that enables phase reconstruction. The proposed system approximates the phase coded aperture with a block-unblock coded aperture by using the detour-phase method. Moreover, the SAXS/WAXS X-ray crystallography software was used to simulate the diffraction patterns of a real crystal structure called Rhombic Dodecahedron. Additionally, several simulations were carried out to analyze the performance of block-unblock approximations in recovering the phase, using the simulated diffraction patterns. Furthermore, the quality of the reconstructions was measured in terms of the Peak Signal to Noise Ratio (PSNR). Results show that the performance of the block-unblock phase coded apertures approximation decreases at most 12.5% compared with the phase coded apertures. Moreover, the quality of the reconstructions using the boolean approximations is up to 2.5 dB of PSNR less with respect to the phase coded aperture reconstructions.

  14. X-ray diffraction and imaging with a coherent beam: application to X-ray optical elements and to crystals exhibiting phase inhomogeneities

    International Nuclear Information System (INIS)

    Masiello, F.

    2011-05-01

    The exceptional properties of synchrotron light sources have been exploited in very different disciplines, from archaeology to chemistry, from material science to biology, from medicine to physics. Among these properties it is important to mention the high brilliance, continuum spectrum, high degree of polarization, time structure, small source size and divergence of the beam, the last resulting in a high transversal coherence of the produced radiation. This high transversal coherence of the synchrotron sources has permitted the development of new techniques, e.g. phase contrast imaging, X-ray photon correlation spectroscopy and coherent X-ray diffraction imaging (CXDI). This thesis work will consist essentially of three parts. In the first part it will be presented the work done as a member of the X-ray Optics Group of ESRF in the characterization of high quality diamond crystals foreseen as X-ray optical elements. The characterization has been done using different complementary X-ray techniques, such as high resolution diffraction, topography, grazing incidence diffraction, reflectivity and measurements of the coherence preservation using the Talbot effect. In the second part, I will show the result obtained in the study of the temperature behaviours of the domain in periodically poled ferroelectrics crystals. This type of measurements, based on Bragg-Fresnel diffraction, are possible only thanks to the high degree of coherence of the beam. In the third part, I will present the results obtained in the characterization of diamonds foreseen for applications other than X-ray optical elements. (author)

  15. PREFACE: Structure and dynamics determined by neutron and x-ray scattering Structure and dynamics determined by neutron and x-ray scattering

    Science.gov (United States)

    Müller-Buschbaum, Peter

    2011-06-01

    structure of pyroxene-type MnGeO3 G J Redhammer, A Senyshyn, G Tippelt and G Roth Nanostructured diblock copolymer films with embedded magnetic nanoparticles Xin Xia, Ezzeldin Metwalli, Matthias A Ruderer, Volker Körstgens, Peter Busch, Peter Böni and Peter Müller-Buschbaum Thermal expansion of a La-based bulk metallic glass: insight from in situ high-energy x-ray diffraction J Bednarcik, S Michalik, M Sikorski, C Curfs, X D Wang, J Z Jiang and H Franz The slow short-time motions of phospholipid molecules with a focus on the influence of multiple scattering and fitting artefacts Sebastian Busch and Tobias Unruh Quasi-elastic scattering under short-range order: the linear regime and beyond Michael Leitner and Gero Vogl Structural relaxation as seen by quasielastic neutron scattering on viscous Zr-Ti-Cu-Ni-Be droplets F Yang, T Kordel, D Holland-Moritz, T Unruh and A Meyer In situ observation of cluster formation during nanoparticle solution casting on a colloidal film S V Roth, G Herzog, V Körstgens, A Buffet, M Schwartzkopf, J Perlich, M M Abul Kashem, R Döhrmann, R Gehrke, A Rothkirch, K Stassig, W Wurth, G Benecke, C Li, P Fratzl, M Rawolle and P Müller-Buschbaum Inelastic neutron and x-ray scattering from incommensurate magnetic systems Peter Böni, Bertrand Roessli and Klaudia Hradil Development of magnetic moments in Fe1-xNix-alloys Benjamin Glaubitz, Stefan Buschhorn, Frank Brüssing, Radu Abrudan and Hartmut Zabel Modified mode-coupling theory for the collective dynamics of simple liquids B Schmid and W Schirmacher Inelastic neutron and low-frequency Raman scattering in niobium-phosphate glasses: the role of spatially fluctuating elastic and elasto-optic constants A Schulte, W Schirmacher, B Schmid and T Unruh The effect of heat treatment on the internal structure of nanostructured block copolymer films A Sepe, E T Hoppe, S Jaksch, D Magerl, Q Zhong, J Perlich, D Posselt, D-M Smilgies and C M Papadakis Hydrogen release from sodium alanate observed by time

  16. Characterisation of microfocused beam for synchrotron powder diffraction using a new X-ray camera

    International Nuclear Information System (INIS)

    Thomas, C; Potter, J; Tang, C C; Lennie, A R

    2012-01-01

    The powder diffraction beamline I11, Diamond Light Source, is being continually upgraded as requirements of the user community evolve. Intensities of X-rays from the I11 in-vacuum electron undulator in the 3 GeV synchrotron fall off at higher energies. By focusing higher energy X-rays, we can overcome flux limitations, and open up new diffraction experiments. Here, we describe characterisation of microfocusing using compound refractive lenses (CRL). For a relatively modest outlay, we have developed an experimental setup and a novel X-ray camera with good sensitivity and a resolution specification suitable for characterising these focusing optics. We show that vertical oscillations in the focused beam compromise resolution of the source imaged by the CRL. Nevertheless, we have measured CRL focusing properties, and demonstrate the use of energy scanning to determine lens alignment. Real benefits of the intensity gain are illustrated.

  17. Soft x-ray resonant magnetic powder diffraction on PrNiO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Staub, U [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); GarcIa-Fernandez, M [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Mulders, A M [Department of Applied Physics, Curtin University of Technology, GPO Box U1987, Perth WA 6845 (Australia); Bodenthin, Y [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); MartInez-Lope, M J [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain); Alonso, J A [Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, E-28049 Madrid (Spain)

    2007-03-07

    We report on the first soft x-ray resonant powder diffraction experiments performed at the Ni L{sub 2,3} edges of PrNiO{sub 3}. The temperature, polarization and energy dependence of the (1/2 0 1/2) reflection indicates a magnetic origin for the signal. This experiment demonstrates that x-ray resonant magnetic powder diffraction can be relatively easily performed in the soft x-ray regime due to the very large enhancement factors at the absorption edges. Such experiments allow us to extract important information on the electronic states of the d shell. Similar results can be anticipated from orbital reflections measured in a powder. (fast track communication)

  18. Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

    Science.gov (United States)

    2013-01-01

    Background Hydrogen atoms represent about half of the total number of atoms in proteins and are often involved in substrate recognition and catalysis. Unfortunately, X-ray protein crystallography at usual resolution fails to access directly their positioning, mainly because light atoms display weak contributions to diffraction. However, sub-Ångstrom diffraction data, careful modeling and a proper refinement strategy can allow the positioning of a significant part of hydrogen atoms. Results A comprehensive study on the X-ray structure of the diisopropyl-fluorophosphatase (DFPase) was performed, and the hydrogen atoms were modeled, including those of solvent molecules. This model was compared to the available neutron structure of DFPase, and differences in the protein and the active site solvation were noticed. Conclusions A further examination of the DFPase X-ray structure provides substantial evidence about the presence of an activated water molecule that may constitute an interesting piece of information as regard to the enzymatic hydrolysis mechanism. PMID:23915572

  19. X-ray diffraction on nanoparticles chromium and nickel oxides obtained by gelatin using synchrotron radiation

    International Nuclear Information System (INIS)

    Menezes, Alan Silva de; Medeiros, Angela Maria de Lemos; Miranda, Marcus Aurelio Ribeiro; Almeida, Juliana Marcela Abraao; Remedios, Claudio Marcio Rocha; Silva, Lindomar R.D. da; Gouveia, S.T.; Sasaki, Jose Marcos; Jardim, P.M.

    2003-01-01

    Full text: Cr 2 O 3 nanoparticles has many applications like green pigments, wear resistance, and coating materials for thermal protection. Several methods to produce chromium oxide nanoparticles have already been studied, gas condensation, laser induced pyrolysis, microwave plasma, sol-gel and gamma radiation methods. Many applications for this kind of material can be provide concerning the particle size. For instance, particle size approximately of 200 nm are preferable as pigment due to its opacity and below 50 nm can be used as transparent pigment. In this work we have demonstrated that chromium and nickel oxide nanoparticles can be prepared by gelatin method. X-Ray diffraction (XRD) show that mean particle size for chromium oxide of 15-150 nm and nickel oxide of 90 nm were obtained for several temperature of sintering. The X-Ray powder diffraction pattern were performed using Synchrotron Radiation X-Ray source at XRD1 beamline in National Laboratory of Light Synchrotron (LNLS). (author)

  20. In situ laser heating and radial synchrotron X-ray diffraction ina diamond anvil cell

    Energy Technology Data Exchange (ETDEWEB)

    Kunz, Martin; Caldwell, Wendel A.; Miyagi, Lowell; Wenk,Hans-Rudolf

    2007-06-29

    We report a first combination of diamond anvil cell radialx-ray diffraction with in situ laser heating. The laser-heating setup ofALS beamline 12.2.2 was modified to allow one-sided heating of a samplein a diamond anvil cell with an 80 W yttrium lithium fluoride laser whileprobing the sample with radial x-ray diffraction. The diamond anvil cellis placed with its compressional axis vertical, and perpendicular to thebeam. The laser beam is focused onto the sample from the top while thesample is probed with hard x-rays through an x-ray transparentboron-epoxy gasket. The temperature response of preferred orientation of(Fe,Mg)O is probed as a test experiment. Recrystallization was observedabove 1500 K, accompanied by a decrease in stress.