WorldWideScience

Sample records for 3d x-ray diffraction

  1. Quantitative 3D imaging of whole, unstained cells by using X-ray diffraction microscopy.

    Science.gov (United States)

    Jiang, Huaidong; Song, Changyong; Chen, Chien-Chun; Xu, Rui; Raines, Kevin S; Fahimian, Benjamin P; Lu, Chien-Hung; Lee, Ting-Kuo; Nakashima, Akio; Urano, Jun; Ishikawa, Tetsuya; Tamanoi, Fuyuhiko; Miao, Jianwei

    2010-06-22

    Microscopy has greatly advanced our understanding of biology. Although significant progress has recently been made in optical microscopy to break the diffraction-limit barrier, reliance of such techniques on fluorescent labeling technologies prohibits quantitative 3D imaging of the entire contents of cells. Cryoelectron microscopy can image pleomorphic structures at a resolution of 3-5 nm, but is only applicable to thin or sectioned specimens. Here, we report quantitative 3D imaging of a whole, unstained cell at a resolution of 50-60 nm by X-ray diffraction microscopy. We identified the 3D morphology and structure of cellular organelles including cell wall, vacuole, endoplasmic reticulum, mitochondria, granules, nucleus, and nucleolus inside a yeast spore cell. Furthermore, we observed a 3D structure protruding from the reconstructed yeast spore, suggesting the spore germination process. Using cryogenic technologies, a 3D resolution of 5-10 nm should be achievable by X-ray diffraction microscopy. This work hence paves a way for quantitative 3D imaging of a wide range of biological specimens at nanometer-scale resolutions that are too thick for electron microscopy.

  2. 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...... and crystallographic orientations for certain categories of polycrystalline materials. Direct visualisation of the three-dimensional grain boundary network or of two-phase (duplex) grain structures by means of absorption and/or phase contrast techniques may be possible, but is restricted to specific material systems....... 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...

  3. A method based on diffraction theory for predicting 3D focusing performance of compound refractive X-ray lenses

    Institute of Scientific and Technical Information of China (English)

    Zichun Le; Kai Liu; Jingqiu Liang

    2005-01-01

    A method based on the diffraction theory for estimating the three-dimensional (3D) focusing performance of the compound refractive X-ray lenses is presented in this paper. As a special application, the 3D X-ray intensity distribution near the focus is derived for a plano-concave compound refractive X-ray lens.Moreover, the computer codes are developed and some results of 3D focusing performance for a compound refractive X-ray lens with Si material are shown and discussed.

  4. X-Ray Diffraction.

    Science.gov (United States)

    Smith, D. K.; Smith, K. L.

    1980-01-01

    Reviews applications in research and analytical characterization of compounds and materials in the field of X-ray diffraction, emphasizing new developments in applications and instrumentation in both single crystal and powder diffraction. Cites 414 references. (CS)

  5. X-Ray Diffraction.

    Science.gov (United States)

    Smith, D. K.; Smith, K. L.

    1980-01-01

    Reviews applications in research and analytical characterization of compounds and materials in the field of X-ray diffraction, emphasizing new developments in applications and instrumentation in both single crystal and powder diffraction. Cites 414 references. (CS)

  6. X-ray diffraction study on the thermal properties of CuMPt6 (M= 3d elements) alloys

    OpenAIRE

    2009-01-01

    The effect of ternary addition of the 3d elements Ti, V, Cr, Mn, Fe, Co and Ni to CuPt3 to form ternary CuMPt6 alloys on the thermal properties was investigated using high-temperature X-ray diffraction method. Data obtained were utilized to determine the lattice parameters, coefficients of thermal expansion, Debye temperature and mean-square displacements of an atom. It was found that the addition increases the lattice spacing, increases the degree of thermal expansion and lowers the Debye te...

  7. A novel diamond anvil cell for x-ray diffraction at cryogenic temperatures manufactured by 3D printing

    Science.gov (United States)

    Jin, H.; Woodall, C. H.; Wang, X.; Parsons, S.; Kamenev, K. V.

    2017-03-01

    A new miniature high-pressure diamond anvil cell was designed and constructed using 3D micro laser sintering technology. This is the first application of the use of rapid prototyping technology to construct high-pressure apparatus. The cell is specifically designed for use as an X-ray diffraction cell that can be used with commercially available diffractometers and open-flow cryogenic equipment to collect data at low temperature and high pressure. The cell is constructed from stainless steel 316L and is about 9 mm in diameter and 7 mm in height, giving it both small dimensions and low thermal mass, and it will fit into the cooling envelope of a standard CryostreamTM cooling system. The cell is clamped using a customized miniature buttress thread of diameter 7 mm and pitch of 0.5 mm enabled by 3D micro laser sintering technology; such dimensions are not attainable using conventional machining. The buttress thread was used as it has favourable uniaxial load properties allowing for higher pressure and better anvil alignment. The clamp can support the load of at least 1.5 kN according to finite element analysis (FEA) simulations. FEA simulations were also used to compare the performance of the standard thread and the buttress thread, and demonstrate that stress is distributed more uniformly in the latter. Rapid prototyping of the pressure cell by the laser sintering resulted in a substantially higher tensile yield strength of the 316L stainless steel (675 MPa compared to 220 MPa for the wrought type of the same material), which increased the upper pressure limit of the cell. The cell is capable of reaching pressures of up to 15 GPa with 600 μm diameter culets of diamond anvils. Sample temperature and pressure changes on cooling were assessed using X-ray diffraction on samples of NaCl and HMT-d12.

  8. Coherent 3D nanostructure of γ-Al2O3: Simulation of whole X-ray powder diffraction pattern

    Science.gov (United States)

    Pakharukova, V. P.; Yatsenko, D. A.; Gerasimov, E. Yu.; Shalygin, A. S.; Martyanov, O. N.; Tsybulya, S. V.

    2017-02-01

    The structure and nanostructure features of nanocrystalline γ-Al2O3 obtained by dehydration of boehmite with anisotropic platelet-shaped particles were investigated. The original models of 3D coherent nanostructure of γ-Al2O3 were constructed. The models of nanostructured γ-Al2O3 particles were first confirmed by a direct simulation of powder X-Ray diffraction (XRD) patterns using the Debye Scattering Equation (DSE) with assistance of high-resolution transmission electron microscopy (HRTEM) study. The average crystal structure of γ-Al2O3 was shown to be tetragonally distorted. The experimental results revealed that thin γ-Al2O3 platelets were heterogeneous on a nanometer scale and nanometer-sized building blocks were separated by partially coherent interfaces. The XRD simulation results showed that a specific packing of the primary crystalline blocks in the nanostructured γ-Al2O3 particles with formation of planar defects on {001}, {100}, and {101} planes nicely accounted for pronounced diffuse scattering, anisotropic peak broadening and peak shifts in the experimental XRD pattern. The identified planar defects in cation sublattice seem to be described as filling cation non-spinel sites in existing crystallographic models of γ-Al2O3 structure. The overall findings provided an insight into the complex nanostructure, which is intrinsic to the metastable γ-Al2O3 oxide.

  9. Stability of dislocation structures in copper towards stress relaxation investigated by high angular resolution 3D X-ray diffraction

    DEFF Research Database (Denmark)

    Jakobsen, Bo; Poulsen, Henning Friis; Lienert, Ulrich

    2009-01-01

    A 300 µm thick tensile specimen of OFHC copper is subjected to a tensile loading sequence and deformed to a maximal strain of 3.11%. Using the novel three-dimensional X-ray diffraction method High angular resolution 3DXRD', the evolution of the microstructure within a deeply embedded grain is cha...

  10. Interface Orientation Distribution during Grain Growth in Bulk SrTiO3 Measured by Means of 3D X-Ray Diffraction Contrast Tomography

    DEFF Research Database (Denmark)

    Syha, Melanie; Rheinheimer, Wolfgang; Bäurer, Michael

    2012-01-01

    3D x-ray diffraction contrast tomography (DCT) is a non-destructive technique for the determination of grain shape and crystallography in polycrystalline bulk materials. Using this technique, a strontium titanate specimen was repeatedly measured between annealing steps.. A systematic analysis...

  11. Interface Orientation Distribution during Grain Growth in Bulk SrTiO3 Measured by Means of 3D X-Ray Diffraction Contrast Tomography

    DEFF Research Database (Denmark)

    Syha, Melanie; Rheinheimer, Wolfgang; Bäurer, Michael;

    2012-01-01

    3D x-ray diffraction contrast tomography (DCT) is a non-destructive technique for the determination of grain shape and crystallography in polycrystalline bulk materials. Using this technique, a strontium titanate specimen was repeatedly measured between annealing steps.. A systematic analysis...

  12. X-Ray Diffraction Apparatus

    Science.gov (United States)

    Blake, David F. (Inventor); Bryson, Charles (Inventor); Freund, Friedmann (Inventor)

    1996-01-01

    An x-ray diffraction apparatus for use in analyzing the x-ray diffraction pattern of a sample is introduced. The apparatus includes a beam source for generating a collimated x-ray beam having one or more discrete x-ray energies, a holder for holding the sample to be analyzed in the path of the beam, and a charge-coupled device having an array of pixels for detecting, in one or more selected photon energy ranges, x-ray diffraction photons produced by irradiating such a sample with said beam. The CCD is coupled to an output unit which receives input information relating to the energies of photons striking each pixel in the CCD, and constructs the diffraction pattern of photons within a selected energy range striking the CCD.

  13. The application of in-situ 3D X-ray diffraction in annealing experiments: First interpretation of substructure development in deformed NaCl

    DEFF Research Database (Denmark)

    Borthwick, Verity; Schmidt, Søren; Piazolo, Sandra;

    2012-01-01

    In-situ 3D X-ray diffraction (3DXRD) annealing experiments were conducted at the ID-11 beamline at the European Synchrotron Radiation Facility in Grenoble. This allowed us to nondestructively document and subsequently analyse the development of substructures during heating, without the influence...... of surface effects. A sample of deformed single crystal halite was heated to between 260-400 °. Before and after heating a volume of 500 by 500 by 300 μm was mapped using a planar beam, which was translated over the sample volume at intervals of 5-10 μm in the vertical dimension. In the following we present...... partially reconstructed orientation maps over one layer before and after heating for 240min at 260 °. Additional small syn-heating "maps" over a constrained sample rotation of 12-30°. The purpose of this was to illuminate a few reflections from 1 or 2 subgrains and follow their evolution during heating...

  14. 3-D growth of a short fatigue crack within a polycrystalline microstructure studied using combined diffraction and phase-contrast X-ray tomography

    DEFF Research Database (Denmark)

    Herbig, M.; King, Andrew; Reischig, Peter;

    2011-01-01

    X-ray diffraction contrast tomography is a recently developed, non-destructive synchrotron imaging technique which characterizes microstructure and grain orientation in polycrystalline materials in three dimensions. By combining it with propagation-based phase-contrast tomography it is possible...

  15. Diffractive X-Ray Telescopes

    Science.gov (United States)

    Skinner, Gerald 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 many 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 super-massive 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.

  16. Diffractive X-ray Telescopes

    CERN Document Server

    Skinner, Gerald 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 space- time in the immediate vicinity of the super-massive 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.

  17. X-ray diffraction: instrumentation and applications.

    Science.gov (United States)

    Bunaciu, Andrei A; Udriştioiu, Elena Gabriela; Aboul-Enein, Hassan Y

    2015-01-01

    X-ray diffraction (XRD) is a powerful nondestructive technique for characterizing crystalline materials. It provides information on structures, phases, preferred crystal orientations (texture), and other structural parameters, such as average grain size, crystallinity, strain, and crystal defects. X-ray diffraction peaks are produced by constructive interference of a monochromatic beam of X-rays scattered at specific angles from each set of lattice planes in a sample. The peak intensities are determined by the distribution of atoms within the lattice. Consequently, the X-ray diffraction pattern is the fingerprint of periodic atomic arrangements in a given material. This review summarizes the scientific trends associated with the rapid development of the technique of X-ray diffraction over the past five years pertaining to the fields of pharmaceuticals, forensic science, geological applications, microelectronics, and glass manufacturing, as well as in corrosion analysis.

  18. Algorithm for Reconstruction of 3D Images of Nanorice Particles from Diffraction Patterns of Two Particles in Independent Random Orientations with an X-ray Laser

    Directory of Open Access Journals (Sweden)

    Sung Soon Kim

    2017-06-01

    Full Text Available The method of angular correlations recovers quantities from diffraction patterns of randomly oriented particles, as expected to be measured with an X-ray free electron laser (XFEL, proportional to quadratic functions of the spherical harmonic expansion coefficients of the diffraction volume of a single particle. We have previously shown that it is possible to reconstruct a randomly oriented icosahedral or helical virus from the average over all measured diffraction patterns of such correlations. We point out in this paper that a structure of even simpler particles of 50 Å or so in diameter and consisting of heavier atomic elements (to enhance scattering that has been used as a test case for reconstructions from XFEL diffraction patterns can also be solved by this technique. Even though there has been earlier work on similar objects (prolate spheroids, one advantage of the present technique is its potential to also work with diffraction patterns not only due to single particles as has been suggested on the basis on nonoverlapping delta functions of angular scattering. Accordingly, we calculated from the diffraction patterns the angular momentum expansions of the pair correlations and triple correlations for general particle images and reconstructed those images in the standard way. Although the images looked pretty much the same, it is not totally clear to us that the angular correlations are exactly the same as different numbers of particles due to the possibility of constructive or destructive interference between the scattered waves from different particles. It is of course known that, for a large number of particles contributing to a diffraction parttern, the correlations converge to that of a single particle. It could be that the lack of perfect agreement between the images reconstructed with one and two particles is due to uncancelling constructive and destructive conditions that are not found in the case of solution scattering.

  19. X-Ray Diffractive Optics

    Science.gov (United States)

    Dennis, Brian; Li, Mary; Skinner, Gerald

    2013-01-01

    X-ray optics were fabricated with the capability of imaging solar x-ray sources with better than 0.1 arcsecond angular resolution, over an order of magnitude finer than is currently possible. Such images would provide a new window into the little-understood energy release and particle acceleration regions in solar flares. They constitute one of the most promising ways to probe these regions in the solar atmosphere with the sensitivity and angular resolution needed to better understand the physical processes involved. A circular slit structure with widths as fine as 0.85 micron etched in a silicon wafer 8 microns thick forms a phase zone plate version of a Fresnel lens capable of focusing approx. =.6 keV x-rays. The focal length of the 3-cm diameter lenses is 100 microns, and the angular resolution capability is better than 0.1 arcsecond. Such phase zone plates were fabricated in Goddard fs Detector Development Lab. (DDL) and tested at the Goddard 600-microns x-ray test facility. The test data verified that the desired angular resolution and throughput efficiency were achieved.

  20. 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

  1. X-Ray Diffraction Analysis Program

    Science.gov (United States)

    Wiedemann, K. E.; Unnam, J.; Naidu, S. V. N.; Houska, C. R.

    1986-01-01

    SOPAD separates overlapping peaks and analyzes derivatives of X-ray diffraction data. SOPAD helps analyst get most information out of available diffraction data. SOPAD uses Marquardt-type nonlinear regression routine to refine initial estimates of individual peak positions, intensities, shapes, and half-widths.

  2. A stand-alone mesoporous crystal structure model from in situ X-ray diffraction: nitrogen adsorption on 3D cagelike mesoporous silica SBA-16.

    Science.gov (United States)

    Miyasaka, Keiichi; Hano, Hiroko; Kubota, Yoshiki; Lin, Yangzheng; Ryoo, Ryong; Takata, Masaki; Kitagawa, Susumu; Neimark, Alexander V; Terasaki, Osamu

    2012-08-13

    We present a modeling scheme to analyze cagelike silica mesoporous crystals based on in situ X-ray diffraction (XRD) data collected during gas adsorption-desorption (physisorption) processes. Nitrogen physisorption on a silica mesoporous crystal of SBA-16 was directly monitored by using synchrotron in situ powder XRD measurements conducted at SPring-8. SBA-16 is a well-ordered mesoporous silica in which three-dimensional interconnected cagelike primary mesopores are located at the body-centered cubic lattice points. In addition, the surrounding silica matrix contains random microporous and mesoporous intrawall porosities that are significantly influential to the diffusion properties, and thus important to be quantified for this media. The in situ XRD data exhibits seven Bragg reflections throughout the measurements, and the present method allows one to obtain the maximal and stand-alone information about the pore structure (for example, the mesopore size, the matrix density, the intrawall porosity, and pore surface roughness) together with the nitrogen film evolution in the primary mesopores and the intrawall pore-filling in the silica matrix. We furthermore observe a macroscopic amount of nitrogen adsorbed assuming the density of the fluid, and confirm that the XRD "isotherm" recalculated from the analysis result is consistent with the conventional nitrogen isotherm on a semi-quantitative level; however, these results suggest that the intrawall pores would have a greater contribution to the adsorption than considered based on the conventional isotherm analyses. The present method is readily extendable to any ordered mesopores wrapped by the wall matrix containing a certain intrawall porosity.

  3. Single Particle X-ray Diffractive Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Bogan, M J; Benner, W H; Boutet, S; Rohner, U; Frank, M; Seibert, M; Maia, F; Barty, A; Bajt, S; Riot, V; Woods, B; Marchesini, S; Hau-Riege, S P; Svenda, M; Marklund, E; Spiller, E; Hajdu, J; Chapman, H N

    2007-10-01

    In nanotechnology, strategies for the creation and manipulation of nanoparticles in the gas phase are critically important for surface modification and substrate-free characterization. Recent coherent diffractive imaging with intense femtosecond X-ray pulses has verified the capability of single-shot imaging of nanoscale objects at sub-optical resolutions beyond the radiation-induced damage threshold. By intercepting electrospray-generated particles with a single 15 femtosecond soft-X-ray pulse, we demonstrate diffractive imaging of a nanoscale specimen in free flight for the first time, an important step toward imaging uncrystallized biomolecules.

  4. 3D Rotational X-Ray guidance for surgical interventions

    NARCIS (Netherlands)

    Kraats, Everine Brenda van de

    2005-01-01

    The research described in this thesis is aimed at increasing the accuracy and decreasing the invasiveness of surgical procedures, with a focus on spine procedures, by using a combination of multi-modality images, computer-assisted navigation, intraoperative 3D rotational X-ray (3DRX) imaging, and mi

  5. The Dynamical Theory of X Ray Diffraction

    Science.gov (United States)

    Balchin, A. A.; Whitehouse, C. R.

    1974-01-01

    Summarizes the Darwin theory of x-ray diffraction in thin crystals or crystals with a mosaic texture and its modified application to crystals with three-dimensional electrostatic dipoles. Indicates that the dynamical theory is brought into its present relevance by the improvement of single crystal growth techniques. (CC)

  6. [X-ray diffraction spectrum of heroin].

    Science.gov (United States)

    Hu, X; Kan, J; Yuan, B

    1999-06-01

    In this paper, practical measured X-ray diffraction spectra of heroin and opium are given and the parameters of each diffraction peak of the heroin are listed. The heroin belongs to orthorhombic crystal system; the basic vectors of the primitive cell are: a = 8.003, b = 14.373, c = 16.092 x 10(-10) m. As compared with the standard spectra of pure heroin and sucrose, the main doped additive checked by us, is sugar affirmatively.

  7. 3D-Quantitative Phase Analysis and Strain Mapping of Nanostructured Coatings by Synchrotron Energy Dispersive X-ray Diffraction: A New Approach to Materials Characterization

    Science.gov (United States)

    2009-06-12

    Rutile & Anatase in Precursor Powder & TSC Comparison with X-ray Absorption Data Variation of strain in the...Phase Analysis Results: TiO2 Precursor vs. TSC (εappl = 0) ( ) ( ) ( ) ( ) ( ) ( )( ) 1Rutile 110 1 1Rutile Anatase 110 101 I % Rutile = 100; I +I Rutile ... Rutile Anatase RIR RIR RIR − − −    ×      RIR: Reference Intensity Ratio NSMG 2 powder Rutile (110) 3.2276 11854 11.9 Anatase (101)

  8. Diffraction leveraged modulation of X-ray pulses using MEMS-based X-ray optics

    Science.gov (United States)

    Lopez, Daniel; Shenoy, Gopal; Wang, Jin; Walko, Donald A.; Jung, Il-Woong; Mukhopadhyay, Deepkishore

    2016-08-09

    A method and apparatus are provided for implementing Bragg-diffraction leveraged modulation of X-ray pulses using MicroElectroMechanical systems (MEMS) based diffractive optics. An oscillating crystalline MEMS device generates a controllable time-window for diffraction of the incident X-ray radiation. The Bragg-diffraction leveraged modulation of X-ray pulses includes isolating a particular pulse, spatially separating individual pulses, and spreading a single pulse from an X-ray pulse-train.

  9. 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.

  10. Development of a 3-D X-ray system

    Science.gov (United States)

    Evans, James Paul Owain

    The interpretation of standard two-dimensional x-ray images by humans is often very difficult. This is due to the lack of visual cues to depth in an image which has been produced by transmitted radiation. The solution put forward in this research is to introduce binocular parallax, a powerful physiological depth cue, into the resultant shadowgraph x-ray image. This has been achieved by developing a binocular stereoscopic x-ray imaging technique, which can be used for both visual inspection by human observers and also for the extraction of three-dimensional co-ordinate information. The technique is implemented in the design and development of two experimental x-ray systems and also the development of measurement algorithms. The first experimental machine is based on standard linear x-ray detector arrays and was designed as an optimum configuration for visual inspection by human observers. However, it was felt that a combination of the 3-D visual inspection capability together with a measurement facility would enhance the usefulness of the technique. Therefore, both a theoretical and an empirical analysis of the co-ordinate measurement capability of the machine has been carried out. The measurement is based on close-range photogrammetric techniques. The accuracy of the measurement has been found to be of the order of 4mm in x, 3mm in y and 6mm in z. A second experimental machine was developed and based on the same technique as that used for the first machine. However, a major departure has been the introduction of a dual energy linear x-ray detector array which will allow, in general, the discrimination between organic and inorganic substances. The second design is a compromise between ease of visual inspection for human observers and optimum three-dimensional co-ordinate measurement capability. The system is part of an on going research programme into the possibility of introducing psychological depth cues into the resultant x-ray images. The research presented in

  11. 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.

  12. Final report: high resolution lensless 3D imaging of nanostructures with coherent x-rays

    Energy Technology Data Exchange (ETDEWEB)

    Jacobsen, Chris [Stony Brook Univ., NY (United States). Dept. of Physics and Astronomy

    2011-04-14

    This project helped pioneer the core capabilities of coherent diffraction imaging (CDI) using X rays at synchrotron light source facilities. We developed an apparatus that was used for CDI at the Advanced Light Source, and applied it to 2D and 3D imaging of nanostructures. We also explored a number of conceptual and computational issues on the reconstruction of CDI data.

  13. X-ray diffraction contrast tomography (DCT) system, and an X-ray diffraction contrast tomography (DCT) method

    DEFF Research Database (Denmark)

    2012-01-01

    Source: US2012008736A An X-ray diffraction contrast tomography system (DCT) comprising a laboratory X-ray source (2), a staging device (5) rotating a polycrystalline material sample in the direct path of the X-ray beam, a first X-ray detector (6) detecting the direct X-ray beam being transmitted...... through the crystalline material sample, a second X-ray detector (7) positioned between the staging device and the first X-ray detector for detecting diffracted X-ray beams, and a processing device (15) for analysing detected values. The crystallographic grain orientation of the individual grain...

  14. Building X-ray Diffraction Calibration Software

    Energy Technology Data Exchange (ETDEWEB)

    Lande, Joshua; /Marlboro Coll.

    2007-10-31

    X-ray diffraction is a technique used to analyze the structure of crystals. It records the interference pattern created when x-rays travel through a crystal. Three dimensional structure can be inferred from these two dimensional diffraction patterns. Before the patterns can be analyzed, diffraction data must be precisely calibrated. Calibration is used to determine the experimental parameters of the particular experiment. This is done by fitting the experimental parameters to the diffraction pattern of a well understood crystal. Fit2D is a software package commonly used to do this calibration but it leaves much to be desired. In particular, it does not give very much control over the calibration of the data, requires a significant amount of manual input, does not allow for the calibration of highly tilted geometries, does not properly explain the assumptions that it is making, and cannot be modified. We build code to do this calibration while at the same time overcoming the limitations of Fit2D. This paper describes the development of the calibration software and the assumptions that are made in doing the calibration.

  15. Incoherent Diffractive Imaging via Intensity Correlations of Hard X Rays

    Science.gov (United States)

    Classen, Anton; Ayyer, Kartik; Chapman, Henry N.; Röhlsberger, Ralf; von Zanthier, Joachim

    2017-08-01

    Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures, or even single molecules. While these techniques rely on coherent scattering, incoherent processes like fluorescence emission—often the predominant scattering mechanism—are generally considered detrimental for imaging applications. Here, we show that intensity correlations of incoherently scattered x-ray radiation can be used to image the full 3D arrangement of the scattering atoms with significantly higher resolution compared to conventional coherent diffraction imaging and crystallography, including additional three-dimensional information in Fourier space for a single sample orientation. We present a number of properties of incoherent diffractive imaging that are conceptually superior to those of coherent methods.

  16. X-ray diffraction with novel geometry

    Energy Technology Data Exchange (ETDEWEB)

    Prokopiou, Danae [Department of Engineering and Applied Science Cranfield University, Shrivenham Campus, Swindon (United Kingdom); Rogers, Keith, E-mail: k.d.rogers@cranfield.ac.uk [Department of Engineering and Applied Science Cranfield University, Shrivenham Campus, Swindon (United Kingdom); Evans, Paul; Godber, Simon [Imaging Science Group, School of Science and Technology, Nottingham Trent University Clifton Campus, Nottingham (United Kingdom); Shackel, James [Department of Engineering and Applied Science Cranfield University, Shrivenham Campus, Swindon (United Kingdom); Dicken, Anthony [Imaging Science Group, School of Science and Technology, Nottingham Trent University Clifton Campus, Nottingham (United Kingdom)

    2014-01-21

    An innovative geometry for high efficiency harvesting of diffracted X-rays is explored. Further to previous work where planar samples were fixed normal to the primary axis, this work extends focal construct geometry (FCG), to samples randomly oriented with respect to the incident beam. The effect of independent sample rotation around two axes upon the scattering distributions was investigated in analytical, simulation and empirical manners. It was found that, although the profile of Bragg maxima were modified when the sample was rotated, high intensity diffraction data was still acquired. Modelling produced a good match to the empirical data and it was shown that the distortions caused by sample rotation were not severe and predictable even when sample rotations were large. The implications for this are discussed.

  17. 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.

  18. Elimination of X-Ray Diffraction through Stimulated X-Ray Transmission.

    Science.gov (United States)

    Wu, B; Wang, T; Graves, C E; Zhu, D; Schlotter, W F; Turner, J J; Hellwig, O; Chen, Z; Dürr, H A; Scherz, A; Stöhr, J

    2016-07-08

    X-ray diffractive imaging with laterally coherent x-ray free-electron laser (XFEL) pulses is increasingly utilized to obtain ultrafast snapshots of matter. Here we report the amazing disappearance of single-shot charge and magnetic diffraction patterns recorded with resonantly tuned, narrow bandwidth XFEL pulses. Our experimental results reveal the exquisite sensitivity of single-shot charge and magnetic diffraction patterns of a magnetic film to the onset of field-induced stimulated elastic x-ray forward scattering. The loss in diffraction contrast, measured over 3 orders of magnitude in intensity, is in remarkable quantitative agreement with a recent theory that is extended to include diffraction.

  19. 3D -Ray Diffraction Microscopy

    DEFF Research Database (Denmark)

    Poulsen, Henning Friis; Schmidt, Søren; Juul Jensen, Dorte

    2014-01-01

    Three-dimensional X-ray diffraction (3DXRD) microscopy is a fast and non-destructive structural characterization technique aimed at the study of individual crystalline elements (grains or subgrains) within mm-sized polycrystalline specimens. It is based on two principles: the use of highly penetr...

  20. Application of the probability theory in predicting 3D focusing behaviors of compound X-ray refractive lenses

    Institute of Scientific and Technical Information of China (English)

    Zichun Le; Xinjian Zhao; Jingqiu Liang; Yaping Sun; Kai Liu; Ming Zhang; Shuqin Guo; Bisheng Quan

    2005-01-01

    A theoretical method based on the diffractive theory is used for predicting three-dimensional (3D) focusing performances of the compound X-rays refractive lenses (CRLs). However, the derivation of the 3D intensity distribution near focus for the X-ray refractive lenses is quite complicated. In this paper, we introduce a simple theoretical method that is based on the first and second moments in the theory of probability. As an example, the 3D focusing performance of a CRL with Si material is predicted. Moreover, the results are compared with those obtained by the diffractive theory. It is shown that the method introduced in this paper is accurate enough.

  1. X-Ray-Diffraction Tests Of Irradiated Electronic Devices: II

    Science.gov (United States)

    Shaw, David C.; Lowry, Lynn E.; Barnes, Charles E.

    1993-01-01

    Report describes research on use of x-ray diffraction to measure stresses in metal conductors of complementary metal oxide/semiconductor (CMOS) integrated circuits exposed to ionizing radiation. Expanding upon report summarized in "X-Ray-Diffraction Tests Of Irradiated Electronic Devices: I" (NPO-18803), presenting data further suggesting relationship between electrical performances of circuits and stresses and strains in metal conductors.

  2. Energy-dispersive X-ray diffraction mapping on a benchtop X-ray fluorescence system

    OpenAIRE

    Lane, D W.; Nyombi, A.; Shackel, J.

    2014-01-01

    A method for energy-dispersive X-ray diffraction mapping is presented, using a conventional low-power benchtop X-ray fluorescence spectrometer, the Seiko Instruments SEA6000VX. Hyper spectral X-ray maps with a 10µm step size were collected from polished metal surfaces, sectioned Bi, Pb and steel shot gun pellets. Candidate diffraction lines were identified by eliminating those that matched a characteristic line for an element and those predicted for escape peaks, sum peaks, and Rayleigh and C...

  3. X-ray diffraction contrast tomography (DCT) system, and an X-ray diffraction contrast tomography (DCT) method

    DEFF Research Database (Denmark)

    2012-01-01

    Source: US2012008736A An X-ray diffraction contrast tomography system (DCT) comprising a laboratory X-ray source (2), a staging device (5) rotating a polycrystalline material sample in the direct path of the X-ray beam, a first X-ray detector (6) detecting the direct X-ray beam being transmitted ...... in the polycrystalline sample is determined based on the two-dimensional position of extinction spots and the associated angular position of the sample for a set of extinction spots pertaining to the individual grain....

  4. Development of a 3-D x-ray system

    CERN Document Server

    Evans, J P O

    1993-01-01

    major departure has been the introduction of a dual energy linear x-ray detector array which will allow, in general, the discrimination between organic and inorganic substances. The second design is a compromise between ease of visual inspection for human observers and optimum three-dimensional co-ordinate measurement capability. The system is part of an on going research programme into the possibility of introducing psychological depth cues into the resultant x-ray images. The research presented in this thesis was initiated to enhance the visual interpretation of complex x-ray images, specifically in response to problems encountered in the routine screening of freight by HM. Customs and Excise. This phase of the work culminated in the development of the first experimental machine. During this work the security industry was starting to adopt a new type of x-ray detector, namely the dual energy x-ray sensor. The Department of Transport made available funding to the Police Scientific Development Branch (P.S.D.B...

  5. Measuring the 3D shape of X-ray clusters

    CERN Document Server

    Samsing, Johan; Hansen, Steen H

    2012-01-01

    Observations and numerical simulations of galaxy clusters strongly indicate that the hot intracluster x-ray emitting gas is not spherically symmetric. In many earlier studies spherical symmetry has been assumed partly because of limited data quality, however new deep observations and instrumental designs will make it possible to go beyond that assumption. Measuring the temperature and density profiles are of interest when observing the x-ray gas, however the spatial shape of the gas itself also carries very useful information. For example, it is believed that the x-ray gas shape in the inner parts of galaxy clusters is greatly affected by feedback mechanisms, cooling and rotation, and measuring this shape can therefore indirectly provide information on these mechanisms. In this paper we present a novel method to measure the three-dimensional shape of the intracluster x-ray emitting gas. We can measure the shape from the x-ray observations only, i.e. the method does not require combination with independent mea...

  6. 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 developed and tested on micro-crystals of lysozyme and insulin. Different protein crystal forms were identified by comparing experimental powder diffraction patternswith patterns calculated from PDB coordinates. The key factor to bring the calculated patterns in agreement with the observed patterns...

  7. 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...

  8. 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.

  9. X-ray diffraction radiation in conditions of Cherenkov effect

    NARCIS (Netherlands)

    Tishchenko, A. A.; Potylitsyn, A. P.; Strikhanov, M. N.

    2006-01-01

    X-ray diffraction radiation from ultra-relativistic electrons moving near an absorbing target is considered. The emission yield is found to increase significantly in conditions of Cherenkov effect. (c) 2006 Elsevier B.V. All rights reserved.

  10. An X-ray diffraction study of titanium oxidation

    Science.gov (United States)

    Wiedemann, K. E.; Unnam, J.

    1984-01-01

    Titanium specimens of commercial purity were exposed at 1100 to 1400 F to laboratory air for times up to 100 hours. The extent of substrate contamination by interstitial oxygen was was determined by a new X-ray diffraction analysis involving transformation of X-ray diffraction intensity bands. The oxygen solid-solubility at the oxide-metal interfaces and its variation with time at temperature were also determined. Diffusion coefficients are deduced from the oxygen depth profiles.

  11. 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....

  12. 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....

  13. 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....

  14. X-ray wavefront modeling of Bragg diffraction from crystals

    Science.gov (United States)

    Sutter, John P.

    2011-09-01

    The diffraction of an X-ray wavefront from a slightly distorted crystal can be modeled by the Takagi-Taupin theory, an extension of the well-known dynamical diffraction theory for perfect crystals. Maxwell's equations applied to a perturbed periodic medium yield two coupled differential equations in the incident and diffracted amplitude. These equations are discretized for numerical calculation into the determination of the two amplitudes on the points of an integration mesh, beginning with the incident amplitudes at the crystal's top surface. The result is a set of diffracted amplitudes on the top surface (in the Bragg geometry) or the bottom surface (in the Laue geometry), forming a wavefront that in turn can be propagated through free space using the Fresnel- Huygens equations. The performance of the Diamond Light Source I20 dispersive spectrometer has here been simulated using this method. Methods are shown for transforming displacements calculated by finite element analysis into local lattice distortions, and for efficiently performing 3-D linear interpolations from these onto the Takagi-Taupin integration mesh, allowing this method to be extended to crystals under thermal load or novel mechanical bender designs.

  15. Study of 3-D stress development in parent and twin pairs of a hexagonal close-packed polycrystal: Part I - In-situ three-dimensional synchrotron X-ray diffraction measurement

    DEFF Research Database (Denmark)

    Abdolvand, Hamidreza; Majkut, Marta; Oddershede, Jette

    2015-01-01

    ) microscopy. In-situ uniaxial straining was carried out at seven steps up to 2.7% in the macroscopic direction that favors twin formation, while center-of-mass position, crystallographic orientation, elastic strain, stress, and relative volume of each grain were measured. This information was used......High anisotropy in the elastic and plastic properties of hexagonal close-packed (hcp) structured metals not only results in drastic stress variation across grain boundaries, but also heterogeneous distributions within grains. Understanding the mechanism of load sharing between different grains...... becomes more complicated when deformation twinning plays a significant role in accommodating an externally applied load. In this paper, a comprehensive study of stress development in a coarse grained strongly textured hcp polycrystal Zircaloy-2, is given using three-dimensional X-ray diffraction (3DXRD...

  16. X-ray diffraction comparator - new possibilities.

    Science.gov (United States)

    Brytov, I A; Dmitriev, G D; Ivanov, V N; Klevtsov, S A

    1997-01-01

    We have studied the possibilities to determine precisely the lattice constants of quartz using an X-ray diffractometer-comparator. This device has double-crystal optical scheme, continuously swinging crystal-monochromator and an original angular reference system. The measurement strategy uses the difference in angular positions of two different Bragg planes relative the third one. On assumption that the wavelength of the used radiation is known with accuracy of ± 1.2,ppm, the accuracy of determined lattice constants is estimated in ± 5×10-5Å. The described measurement strategy proves to be efficient in measuring the changes of the lattice constants with temperature and in precision testing of a quartz single-crystal homogeneity. We discuss also the features of other instruments for the automatic sorting of quartz blanks in groups by the cut angle, which use the same monochromator pendulum system.

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

    Directory of Open Access Journals (Sweden)

    G. Cheung

    2016-08-01

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

  18. High-resolution ab initio Three-dimensional X-ray Diffraction Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chapman, H N; Barty, A; Marchesini, S; Noy, A; Cui, C; Howells, M R; Rosen, R; He, H; Spence, J H; Weierstall, U; Beetz, T; Jacobsen, C; Shapiro, D

    2005-08-19

    Coherent X-ray diffraction microscopy is a method of imaging non-periodic isolated objects at resolutions only limited, in principle, by the largest scattering angles recorded. We demonstrate X-ray diffraction imaging with high resolution in all three dimensions, as determined by a quantitative analysis of the reconstructed volume images. These images are retrieved from the 3D diffraction data using no a priori knowledge about the shape or composition of the object, which has never before been demonstrated on a non-periodic object. We also construct 2D images of thick objects with infinite depth of focus (without loss of transverse spatial resolution). These methods can be used to image biological and materials science samples at high resolution using X-ray undulator radiation, and establishes the techniques to be used in atomic-resolution ultrafast imaging at X-ray free-electron laser sources.

  19. Enhancement of coherent X-ray diffraction from nanocrystals by introduction of X-ray optics.

    Science.gov (United States)

    Robinson, Ian; Pfeiffer, Franz; Vartanyants, Ivan; Sun, Yugang; Xia, Younan

    2003-09-22

    Coherent X-ray Diffraction is applied to investigate the structure of individual nanocrystalline silver particles in the 100nm size range. In order to enhance the available signal, Kirkpatrick-Baez focusing optics have been introduced in the 34-ID-C beamline at APS. Concerns about the preservation of coherence under these circumstances are addressed through experiment and by calculations.

  20. 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.

  1. 3D Reconstruction from X-ray Fluoroscopy for Clinical Veterinary Medicine using Differential Volume Rendering

    Science.gov (United States)

    Khongsomboon, Khamphong; Hamamoto, Kazuhiko; Kondo, Shozo

    3D reconstruction from ordinary X-ray equipment which is not CT or MRI is required in clinical veterinary medicine. Authors have already proposed a 3D reconstruction technique from X-ray photograph to present bone structure. Although the reconstruction is useful for veterinary medicine, the thechnique has two problems. One is about exposure of X-ray and the other is about data acquisition process. An x-ray equipment which is not special one but can solve the problems is X-ray fluoroscopy. Therefore, in this paper, we propose a method for 3D-reconstruction from X-ray fluoroscopy for clinical veterinary medicine. Fluoroscopy is usually used to observe a movement of organ or to identify a position of organ for surgery by weak X-ray intensity. Since fluoroscopy can output a observed result as movie, the previous two problems which are caused by use of X-ray photograph can be solved. However, a new problem arises due to weak X-ray intensity. Although fluoroscopy can present information of not only bone structure but soft tissues, the contrast is very low and it is very difficult to recognize some soft tissues. It is very useful to be able to observe not only bone structure but soft tissues clearly by ordinary X-ray equipment in the field of clinical veterinary medicine. To solve this problem, this paper proposes a new method to determine opacity in volume rendering process. The opacity is determined according to 3D differential coefficient of 3D reconstruction. This differential volume rendering can present a 3D structure image of multiple organs volumetrically and clearly for clinical veterinary medicine. This paper shows results of simulation and experimental investigation of small dog and evaluation by veterinarians.

  2. Glancing angle x-ray diffraction : A different approach

    NARCIS (Netherlands)

    Brussel, B.A. van; Hosson, J.Th.M. De

    1994-01-01

    This letter describes a novel technique of diffracted beam glancing angle x-ray diffraction by which depth profiles of stresses and transformed phases in structures like implanted materials can be determined. An important feature is that this method may be applied successfully in a standard powder d

  3. Optomechanical design of a high-precision detector robot arm system for x-ray nano-diffraction with x-ray nanoprobe

    Science.gov (United States)

    Shu, D.; Kalbfleisch, S.; Kearney, S.; Anton, J.; Chu, Y. S.

    2014-03-01

    Collaboration between Argonne National Laboratory and Brookhaven National Laboratory has created a design for the high-precision detector robot arm system that will be used in the x-ray nano-diffraction experimental station at the Hard X-ray Nanoprobe (HXN) beamline for the NSLS-II project. The robot arm system is designed for positioning and manipulating an x-ray detector in three-dimensional space for nano-diffraction data acquisition with the HXN x-ray microscope. It consists of the following major component groups: a granite base with air-bearing support, a 2-D horizontal base stage, a vertical axis goniometer, a 2-D vertical plane robot arm, a 3-D fast scanning stages group, and a 2-D x-ray pixel detector. The design specifications and unique optomechanical structure of this novel high-precision detector robot arm system will be presented in this paper.

  4. Application of confocal technology based on polycapillary X-ray optics in three-dimensional diffraction scanning analysis

    Energy Technology Data Exchange (ETDEWEB)

    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); Liu, Hehe; Liu, Zhiguo; 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; Luo, Ping; 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)

    2014-03-15

    The confocal technology based on a polycapillary focusing X-ray lens in the excitation channel and a polycapillary parallel X-ray lens in the detection channel was used to perform three-dimensional energy dispersive X-ray diffraction scanning analysis of a copper film on a silicon substrate. A theoretical model of correcting the intensity of the diffracted X-rays from different parts of the sample in the confocal volume was designed. The point-to-point 3D diffraction information of the sample was obtained.

  5. Utilizing broadband X-rays in a Bragg coherent X-ray diffraction imaging experiment

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Wonsuk; Liu, Wenjun; Harder, Ross; Xu, Ruqing; Fuoss, Paul H.; Hruszkewycz, Stephan O.

    2016-07-26

    A method is presented to simplify Bragg coherent X-ray diffraction imaging studies of complex heterogeneous crystalline materials with a two-stage screening/imaging process that utilizes polychromatic and monochromatic coherent X-rays and is compatible within situsample environments. Coherent white-beam diffraction is used to identify an individual crystal particle or grain that displays desired properties within a larger population. A three-dimensional reciprocal-space map suitable for diffraction imaging is then measured for the Bragg peak of interest using a monochromatic beam energy scan that requires no sample motion, thus simplifyingin situchamber design. This approach was demonstrated with Au nanoparticles and will enable, for example, individual grains in a polycrystalline material of specific orientation to be selected, then imaged in three dimensions while under load.

  6. Utilizing broadband X-rays in a Bragg coherent X-ray diffraction imaging experiment.

    Science.gov (United States)

    Cha, Wonsuk; Liu, Wenjun; Harder, Ross; Xu, Ruqing; Fuoss, Paul H; Hruszkewycz, Stephan O

    2016-09-01

    A method is presented to simplify Bragg coherent X-ray diffraction imaging studies of complex heterogeneous crystalline materials with a two-stage screening/imaging process that utilizes polychromatic and monochromatic coherent X-rays and is compatible with in situ sample environments. Coherent white-beam diffraction is used to identify an individual crystal particle or grain that displays desired properties within a larger population. A three-dimensional reciprocal-space map suitable for diffraction imaging is then measured for the Bragg peak of interest using a monochromatic beam energy scan that requires no sample motion, thus simplifying in situ chamber design. This approach was demonstrated with Au nanoparticles and will enable, for example, individual grains in a polycrystalline material of specific orientation to be selected, then imaged in three dimensions while under load.

  7. Mobile 3D rotational X-ray: comparison with CT in sinus surgery

    Energy Technology Data Exchange (ETDEWEB)

    Carelsen, B. [Dept. of Medical Physics, Academic Medical Center, Amsterdam (Netherlands); Bakker, N.H. [Dept. of Man-Machine Systems, Delft Univ. of Technology, Delft (Netherlands); Boon, S.N. [General X-ray Surgery, Philips Medical Systems, Best (Netherlands); Fokkens, W.J. [ENT Dept., Academic Medical Center, Amsterdam (Netherlands); Freling, N.J.M. [Radiology Dept., Academic Medical Center, Amsterdam (Netherlands); Noordhoek, N.J. [X-ray Pre-development, Philips Medical Systems, Best (Netherlands)

    2004-11-01

    Clinical evaluation of a 3D rotational X-ray (3D-RX) system, comprising a modified Philips BV Pulsera C-arm system and a Philips 3D-RA workstation, demonstrates good diagnostic accuracy in functional endoscopic sinus surgery.

  8. Statistical skull models from 3D X-ray images

    CERN Document Server

    Berar, M; Bailly, G; Payan, Y; Berar, Maxime; Desvignes, Michel; Payan, Yohan

    2006-01-01

    We present 2 statistical models of the skull and mandible built upon an elastic registration method of 3D meshes. The aim of this work is to relate degrees of freedom of skull anatomy, as static relations are of main interest for anthropology and legal medicine. Statistical models can effectively provide reconstructions together with statistical precision. In our applications, patient-specific meshes of the skull and the mandible are high-density meshes, extracted from 3D CT scans. All our patient-specific meshes are registrated in a subject-shared reference system using our 3D-to-3D elastic matching algorithm. Registration is based upon the minimization of a distance between the high density mesh and a shared low density mesh, defined on the vertexes, in a multi resolution approach. A Principal Component analysis is performed on the normalised registrated data to build a statistical linear model of the skull and mandible shape variation. The accuracy of the reconstruction is under the millimetre in the shape...

  9. Coherent X-ray diffraction studies of mesoscopic materials

    Energy Technology Data Exchange (ETDEWEB)

    Shabalin, Anatoly

    2015-12-15

    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.

  10. Remote X-Ray Diffraction and X-Ray Fluorescence Analysis on Planetary Surfaces

    Science.gov (United States)

    Blake, David F.; DeVincenzi, D. (Technical Monitor)

    1999-01-01

    The legacy of planetary X-ray Diffraction (XRD) and X-ray Fluorescence (XRF) began in 1960 when W. Parish proposed an XRD instrument for deployment on the moon. The instrument was built and flight qualified, but the Lunar XRD program was cancelled shortly before the first human landing in 1969. XRF chemical data have been collected in situ by surface landers on Mars (Viking 1 & 2, Pathfinder) and Venus (Venera 13 & 14). These highly successful experiments provide critical constraints on our current understanding of surface processes and planetary evolution. However, the mineralogy, which is more critical to planetary surface science than simple chemical analysis, will remain unknown or will at best be imprecisely constrained until X-ray diffraction (XRD) data are collected. Recent progress in X-ray detector technology allows the consideration of simultaneous XRD (mineralogic analysis) and high-precision XRF (elemental analysis) in systems miniaturized to the point where they can be mounted on fixed landers or small robotic rovers. There is a variety of potential targets for XRD/XRF equipped landers within the solar system, the most compelling of which are the poles of the moon, the southern highlands of Mars and Europa.

  11. Photoluminescence and X-ray Diffraction of Distributed Bragg Reflector

    Institute of Scientific and Technical Information of China (English)

    LI Lin; LI Yong-da; LIU Wen-li; LU Bin; JU Guo-xian; ZHANG Yong-ming; HAO Yong-qin; SU Wei; ZHONG Jing-chang

    2004-01-01

    Spectral and structural characteristics of distributed Bragg reflector (DBR) in vertical-cavity surface-emitting lasers were studied with photoluminescence and double- crystal X- ray diffraction measurement. The expected high quality epitaxial DBR structure was verified. In the X- ray double- crystal rocking curves of DBR the zeroth- order peak, the first and second order satellite peaks were measured.Splitting of diffraction peak appeared in the rocking curves was analyzed. The effects of introduced deep energy levels on the structural perfection and optical properties were discussed.

  12. X-Ray-Diffraction Tests Of Irradiated Electronic Devices: I

    Science.gov (United States)

    Shaw, David C.; Lowry, Lynn E.; Barnes, Charles E.

    1993-01-01

    X-ray-diffraction tests performed on aluminum conductors in commercial HI1-507A complementary metal oxide/semiconductor (CMOS) integrated-circuit analog multiplexers, both before and after circuits exposed to ionizing radiation from Co(60) source, and after postirradiation annealing at ambient and elevated temperatures. Tests in addition to electrical tests performed to determine effects of irradiation and of postirradiation annealing on electrical operating characteristics of circuits. Investigators sought to determine whether relationship between effects of irradiation on devices and physical stresses within devices. X-ray diffraction potentially useful for nondestructive measurement of stresses.

  13. Ultrafast x-ray diffraction of laser-irradiated crystals

    Science.gov (United States)

    Heimann, P. A.; Larsson, J.; Chang, Z.; Lindenberg, A.; Schuck, P. J.; Judd, E.; Padmore, H. A.; Bucksbaum, P. H.; Lee, R. W.; Murnane, M.; Kapteyn, H.; Wark, J. S.; Falcone, R. W.

    1997-07-01

    An apparatus has been developed for measuring time-dependent x-ray diffraction. X-ray pulses from an Advanced Light Source bend magnet are diffracted by a sagittally-focusing Si (111) crystal and then by a sample crystal, presently InSb (111). Laser pulses with 100 fs duration and a repetition rate of 1 KHz irradiate the sample inducing a phase transition. Two types of detectors are being employed: an x-ray streak camera and an avalanche photodiode. The streak camera is driven by a photoconductive switch and has a 2 ps temporal resolution determined by trigger jitter. The avalanche photodiode has high quantum efficiency and sufficient time resolution to detect single x-ray pulses in ALS two bunch or `camshaft' operation. A beamline is under construction dedicated for time resolved and micro-diffraction experiments. In the new beamline a toroidal mirror collects 3 mrad horizontally and makes a 1:1 image of the bend magnet source in the x-ray hutch. A laser induced phase transition has been observed in InSb occurring within 70 ps.

  14. Optical properties of X-rays--dynamical diffraction.

    Science.gov (United States)

    Authier, André

    2012-01-01

    The first attempts at measuring the optical properties of X-rays such as refraction, reflection and diffraction are described. The main ideas forming the basis of Ewald's thesis in 1912 are then summarized. The first extension of Ewald's thesis to the X-ray case is the introduction of the reciprocal lattice. In the next step, the principles of the three versions of the dynamical theory of diffraction, by Darwin, Ewald and Laue, are given. It is shown how the comparison of the dynamical and geometrical theories of diffraction led Darwin to propose his extinction theory. The main optical properties of X-ray wavefields at the Bragg incidence are then reviewed: Pendellösung, shift of the Bragg peak, fine structure of Kossel lines, standing waves, anomalous absorption, paths of wavefields inside the crystal, Borrmann fan and double refraction. Lastly, some of the modern applications of the dynamical theory are briefly outlined: X-ray topography, location of adsorbed atoms at crystal surfaces, optical devices for synchrotron radiation and X-ray interferometry.

  15. Dynamic X-ray diffraction sampling for protein crystal positioning.

    Science.gov (United States)

    Scarborough, Nicole M; Godaliyadda, G M Dilshan P; Ye, Dong Hye; Kissick, David J; Zhang, Shijie; Newman, Justin A; Sheedlo, Michael J; Chowdhury, Azhad U; Fischetti, Robert F; Das, Chittaranjan; Buzzard, Gregery T; Bouman, Charles A; Simpson, Garth J

    2017-01-01

    A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction, significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 µm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Using in situ two-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 µm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by

  16. Resonant x-ray scattering in 3d-transition-metal oxides: Anisotropy and charge orderings

    Science.gov (United States)

    Subías, G.; García, J.; Blasco, J.; Herrero-Martín, J.; Sánchez, M. C.

    2009-11-01

    The structural, magnetic and electronic properties of transition metal oxides reflect in atomic charge, spin and orbital degrees of freedom. Resonant x-ray scattering (RXS) allows us to perform an accurate investigation of all these electronic degrees. RXS combines high-Q resolution x-ray diffraction with the properties of the resonance providing information similar to that obtained by atomic spectroscopy (element selectivity and a large enhancement of scattering amplitude for this particular element and sensitivity to the symmetry of the electronic levels through the multipole electric transitions). Since electronic states are coupled to the local symmetry, RXS reveals the occurrence of symmetry breaking effects such as lattice distortions, onset of electronic orbital ordering or ordering of electronic charge distributions. We shall discuss the strength of RXS at the K absorption edge of 3d transition-metal oxides by describing various applications in the observation of local anisotropy and charge disproportionation. Examples of these resonant effects are (I) charge ordering transitions in manganites, Fe3O4 and ferrites and (II) forbidden reflections and anisotropy in Mn3+ perovskites, spinel ferrites and cobalt oxides. In all the studied cases, the electronic (charge and/or anisotropy) orderings are determined by the structural distortions.

  17. X-ray diffraction at Matter in Extreme Conditions endstation

    Science.gov (United States)

    Xing, Zhou; Galtier, Eric; Lee, Hae Ja; Nagler, Bob

    2015-11-01

    Understanding dynamic response at the atomic level under extreme conditions is highly sought after goal to science frontiers studying warm dense matter, high pressure, geoscience, astrophysics, and planetary science. Thus it is of importance to determine the high pressure phases or metastable phases of material under shock compression. In situ X-ray diffraction technique using LCLS free electron laser X-ray is a powerful tool to record structural behavior and microstructure evolution in dense matter. Shock-induced compression and phase transitions of material lead to changes of the lattice spacing or evolution of new X-ray diffraction patterns. In this talk, we describe a platform dedicated for the X-ray diffraction studies at Matter in Extreme Conditions (MEC), which can be used to reconstruct a complete diffraction pattern from numerous detectors, optimize detector positioning in a timely manner, extract the lattice spacing profiles and texture features. This platform is available to the user community for real-time analysis. We will also discuss experimental results, using this platform, on the crystalline silicon phase transitions up to 60 GPa.

  18. X-Ray Diffraction Simulation Using Laser Pointers and Printers.

    Science.gov (United States)

    Johnson, Neil E.

    2001-01-01

    Uses a laser pointer to demonstrate the analogy between optical and X-ray diffraction and a laser printer with 600 or 1200 dot resolution to create and modify arrays, print them on transparencies, and illuminate them with laser pointers. Includes 14 references. (Author/YDS)

  19. X-Ray Diffraction Simulation Using Laser Pointers and Printers.

    Science.gov (United States)

    Johnson, Neil E.

    2001-01-01

    Uses a laser pointer to demonstrate the analogy between optical and X-ray diffraction and a laser printer with 600 or 1200 dot resolution to create and modify arrays, print them on transparencies, and illuminate them with laser pointers. Includes 14 references. (Author/YDS)

  20. 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...

  1. A Practical Method of Simulating X-Ray Diffraction

    Science.gov (United States)

    Brisse, F.; Sundararajan, P. R.

    1975-01-01

    Describes an experiment in which the beam of X-rays is simulated through the use of a laser as a monochromatic light source and the crystal is replaced by photographically prepared masks. A strong diffraction pattern as large as 20 cm. can be obtained. (GS)

  2. 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....

  3. 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...

  4. Computer Simulation and X-ray Diffraction of Nanocrystals

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    X-ray diffraction of structure in nanocrystalline α-Fe and Cu was studied by atomistic simulation. Atomic position equilibrium was reached by using molecular dynamics method to simulate nanocrystalline structure with Finnis potentials to model interatomic interactions. lt was found that the boundary component exhibits short-range order, and the distortion in crystalline component increases with the decrease of grain size.

  5. A Practical Method of Simulating X-Ray Diffraction

    Science.gov (United States)

    Brisse, F.; Sundararajan, P. R.

    1975-01-01

    Describes an experiment in which the beam of X-rays is simulated through the use of a laser as a monochromatic light source and the crystal is replaced by photographically prepared masks. A strong diffraction pattern as large as 20 cm. can be obtained. (GS)

  6. Computing Composition/Depth Profiles From X-Ray Diffraction

    Science.gov (United States)

    Wiedemann, K. E.; Unnam, J.

    1986-01-01

    Diffraction-intensity bands deconvolved relatively quickly. TIBAC constructs composition/depth profiles from X-ray diffraction-intensity bands. Intensity band extremely sensitive to shape of composition/depth profile. TIBAC incorporates straightforward transformation of intensity band that retains accuracy of earlier simulation models, but is several orders of magnitude faster in total computational time. TIBAC written in FORTRAN 77 for batch execution.

  7. Cochlear implant electrode array insertion monitoring with intra-operative 3D rotational X-ray

    NARCIS (Netherlands)

    Carelsen, B; Grolman, W; Tange, R; Streekstra, G J; van Kemenade, P; Jansen, R J; Freling, N J M; White, M; Maat, B; Fokkens, W J

    2007-01-01

    During cochlear implantation surgery, we use a mobile C-arm with 3D functionality to acquire per-operative 3D X-ray images. Scanning the multielectrode array is performed once before removal of the stylet and once after full insertion. When dissatisfied with the position of the multielectrode a repo

  8. 2D-3D image registration in diagnostic and interventional X-Ray imaging

    NARCIS (Netherlands)

    Bom, I.M.J. van der

    2010-01-01

    Clinical procedures that are conventionally guided by 2D x-ray imaging, may benefit from the additional spatial information provided by 3D image data. For instance, guidance of minimally invasive procedures with CT or MRI data provides 3D spatial information and visualization of structures that are

  9. 2p3d Resonant X-ray emission spectroscopy of cobalt compounds

    NARCIS (Netherlands)

    van Schooneveld, M.M.

    2013-01-01

    This manuscript demonstrates that 2p3d resonant X-ray emission spectroscopy (RXES) yields unique information on the chemically relevant valence electrons of transition metal atoms or ions. Experimental data on cobalt compounds and several theories were used hand-in-hand. In chapter 1 2p3d RXES was s

  10. Amorphous silica studied by high energy x-ray diffraction

    DEFF Research Database (Denmark)

    Poulsen, H.F.; Neuefeind, J.; Neumann, H.B.

    1995-01-01

    The use of hard X-rays (60-300 keV) for diffraction studies of disordered materials has several advantages: higher resolution in direct space, smaller correction terms, removal of truncation effects, the possibility for operating in extreme environments and for direct comparison between X-ray.......3(3)degrees with a rms value of 4.2(3)degrees. For the Si-O-Si bond angle, several types of distribution V(alpha) = V-1(alpha) sin(alpha) were investigated. Best fits were obtained for rather broad distributions with V having its maximum at 147 degrees and V-1 at 180 degrees....

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

    Energy Technology Data Exchange (ETDEWEB)

    Antunes, A. [Departamento de Fisica Aplicada, USP, CP 66318, 05315-970 Sao Paulo, SP (Brazil)]. E-mail: antunes@if.usp.br; Hoennicke, M.G. [LORXI, Departamento de Fisica, Universidade Federal do Parana, Curitiba (Brazil); Safatle, A.M.V. [Faculdade de Medicina Veterinaria e Zootecnia, USP, 05508-900 Sao Paulo, SP (Brazil); Cusatis, C. [LORXI, Departamento de Fisica, Universidade Federal do Parana, Curitiba (Brazil); Moraes Barros, P.S. [Faculdade de Medicina Veterinaria e Zootecnia, USP, 05508-900 Sao Paulo, SP (Brazil); Morelhao, S.L. [Departamento de Fisica Aplicada, USP, CP 66318, 05315-970 Sao Paulo, SP (Brazil)

    2005-08-15

    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.

  12. 3D Image Reconstruction from X-Ray Measurements with Overlap

    CERN Document Server

    Klodt, Maria

    2016-01-01

    3D image reconstruction from a set of X-ray projections is an important image reconstruction problem, with applications in medical imaging, industrial inspection and airport security. The innovation of X-ray emitter arrays allows for a novel type of X-ray scanners with multiple simultaneously emitting sources. However, two or more sources emitting at the same time can yield measurements from overlapping rays, imposing a new type of image reconstruction problem based on nonlinear constraints. Using traditional linear reconstruction methods, respective scanner geometries have to be implemented such that no rays overlap, which severely restricts the scanner design. We derive a new type of 3D image reconstruction model with nonlinear constraints, based on measurements with overlapping X-rays. Further, we show that the arising optimization problem is partially convex, and present an algorithm to solve it. Experiments show highly improved image reconstruction results from both simulated and real-world measurements.

  13. 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.

  14. 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.

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

    CERN Document Server

    McBride, L

    2000-01-01

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

  16. 3D Hydrodynamic & Radiative Transfer Models of X-ray Emission from Colliding Wind Binaries

    CERN Document Server

    Russell, Christopher M P; Owocki, Stanley P; Corcoran, Michael F; Hamaguchi, Kenji; Sugawara, Yasuharu

    2014-01-01

    Colliding wind binaries (CWBs) are unique laboratories for X-ray astrophysics. The massive stars in these systems possess powerful stellar winds with speeds up to $\\sim$3000 km s$^{-1}$, and their collision leads to hot plasma (up to $\\sim10^8$K) that emit thermal X-rays (up to $\\sim$10 keV). Many X-ray telescopes have observed CWBs, including Suzaku, and our work aims to model these X-ray observations. We use 3D smoothed particle hydrodynamics (SPH) to model the wind-wind interaction, and then perform 3D radiative transfer to compute the emergent X-ray flux, which is folded through X-ray telescopes' response functions to compare directly with observations. In these proceedings, we present our models of Suzaku observations of the multi-year-period, highly eccentric systems $\\eta$ Carinae and WR 140. The models reproduce the observations well away from periastron passage, but only $\\eta$ Carinae's X-ray spectrum is reproduced at periastron; the WR 140 model produces too much flux during this more complicated p...

  17. The EOS 2D/3D X-ray imaging system

    OpenAIRE

    Faria, Rita; McKenna, Claire; Wade, Rosalind Fay; Yang, Huiqin; Woolacott, Nerys; Sculpher, Mark

    2013-01-01

    OBJECTIVES: To evaluate the cost-effectiveness of the EOS® 2D/3D X-ray imaging system compared with standard X-ray for the diagnosis and monitoring of orthopaedic conditions. MATERIALS AND METHODS: A decision analytic model was developed to quantify the long-term costs and health outcomes, expressed as quality-adjusted life years (QALYs) from the UK health service perspective. Input parameters were obtained from medical literature, previously developed cancer models and expert advice. Thresho...

  18. 3D contrast-enhanced MR portography and direct X-ray portography: a correlation study

    Energy Technology Data Exchange (ETDEWEB)

    Lin Jiang; Zhou Kangrong; Chen Zuang; Wang Jianhua; Yan Ziping [Department of Radiology, ZhongShan Hospital, Fudan University, Shanghai (China); Wang Yixiang J. [Department of Radiology, Rui Jin Hospital, Shanghai Second Medical Univeristy, Shanghai (China)

    2003-06-01

    Our objective was to compare 3D contrast-enhanced MR portography (3D CE MRP) on a 1.5-T MR imager with direct X-ray portography. Twenty-six consecutive patients underwent 3D CE MRP with in-plane resolution of 1.4 or 1.8 mm, and direct X-ray portography. The findings of these two methods were evaluated and compared. The main portal vein (PV), right PV with its anterior and posterior segmental branches, and left PV including its sagittal segment were shown clearly without diagnostic problem in all cases on MRP. The main PV appearance was accordant with MRP and X-ray. For intrahepatic PVs, the results agreed in 21 patients but disagreed in 5 patients. In 1 patient with a huge tumor in right liver, the right posterior PV was classified as occluded at MRP, but diffusely narrowed at X-ray. The findings of left intrahepatic PV were discordant in 3 patients with hepatocelluar carcinoma in the left lobe. The MRP demonstrated complete occlusion of the left PVs, whereas X-ray showed proximal narrowing and distal occlusion. In another patient with hepatocelluar carcinoma, a small non-occlusive thrombus involving the sagittal segment of the left PV was seen on MRP but not on X-ray. With demonstration of varices and portosystemic shunts, MRP showed results similar to those of X-ray, except one recanalized para-umbilical vein was excluded from the field of view at MRP due to the patient's limited ability of breathholding. The 3D CE MRP correlated well with direct X-ray portography in most cases, it was limited in distinguishing narrowing of an intrahepatic PV from occlusion, but it showed advantage in demonstrating small thrombus within PV. (orig.)

  19. High pressure x-ray diffraction techniques with synchrotron radiation

    Institute of Scientific and Technical Information of China (English)

    刘景

    2016-01-01

    This article summarizes the developments of experimental techniques for high pressure x-ray diffraction (XRD) in diamond anvil cells (DACs) using synchrotron radiation. Basic principles and experimental methods for various diffraction geometry are described, including powder diffraction, single crystal diffraction, radial diffraction, as well as coupling with laser heating system. Resolution in d-spacing of different diffraction modes is discussed. More recent progress, such as extended application of single crystal diffraction for measurements of multigrain and electron density distribution, time-resolved diffraction with dynamic DAC and development of modulated heating techniques are briefl y introduced. The current status of the high pressure beamline at BSRF (Beijing Synchrotron Radiation Facility) and some results are also presented.

  20. X-ray magnetic diffraction of ferromagnets with synchrotron radiation

    CERN Document Server

    Ito, M

    2002-01-01

    X-ray magnetic diffraction experiment of ferromagnets that utilizes elliptically polarized synchrotron radiation is presented. First we have reviewed shortly historical backgrounds and theoretical aspects of the experiment. We have presented how the magnetic form factors are measured and are separated into the spin-moment component and the orbital-moment component in this experiment. Peculiar features of the polarization factor of this experiment have been explained. We have introduced two examples of the experiment. One is the measurement of the spin-magnetic form factor of SmAl sub 2 with white X-rays from a bending magnet at the Photon Factory. The other is the measurement of the orbital-magnetic form factor of Holmium Iron Garnets with monochromatic X-rays from an undulator at the SPring-8. Finally we summarize the article and show some future prospects of this experiment. (author)

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

    Science.gov (United States)

    Maddox, B R; Akin, M C; Teruya, A; Hunt, D; Hahn, D; Cradick, J; Morgan, D V

    2016-08-01

    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(7) molybdenum Kα photons.

  2. 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.

  3. Spatiotemporal Response of Crystals in X-ray Bragg Diffraction

    CERN Document Server

    Shvyd'ko, Yuri

    2012-01-01

    The spatiotemporal response of crystals in x-ray Bragg diffraction resulting from excitation by an ultra-short, laterally confined x-ray pulse is studied theoretically. The theory presents an extension of the analysis in symmetric reflection geometry [1] to the generic case, which includes Bragg diffraction both in reflection (Bragg) and transmission (Laue) asymmetric scattering geometries. The spatiotemporal response is presented as a product of a crystal-intrinsic plane wave spatiotemporal response function and an envelope function defined by the crystal-independent transverse profile of the incident beam and the scattering geometry. The diffracted wavefields exhibit amplitude modulation perpendicular to the propagation direction due to both angular dispersion and the dispersion due to Bragg's law. The characteristic measure of the spatiotemporal response is expressed in terms of a few parameters: the extinction length, crystal thickness, Bragg angle, asymmetry angle, and the speed of light. Applications to...

  4. Wavefront aberrations of x-ray dynamical diffraction beams.

    Science.gov (United States)

    Liao, Keliang; Hong, Youli; Sheng, Weifan

    2014-10-01

    The effects of dynamical diffraction in x-ray diffractive optics with large numerical aperture render the wavefront aberrations difficult to describe using the aberration polynomials, yet knowledge of them plays an important role in a vast variety of scientific problems ranging from optical testing to adaptive optics. Although the diffraction theory of optical aberrations was established decades ago, its application in the area of x-ray dynamical diffraction theory (DDT) is still lacking. Here, we conduct a theoretical study on the aberration properties of x-ray dynamical diffraction beams. By treating the modulus of the complex envelope as the amplitude weight function in the orthogonalization procedure, we generalize the nonrecursive matrix method for the determination of orthonormal aberration polynomials, wherein Zernike DDT and Legendre DDT polynomials are proposed. As an example, we investigate the aberration evolution inside a tilted multilayer Laue lens. The corresponding Legendre DDT polynomials are obtained numerically, which represent balanced aberrations yielding minimum variance of the classical aberrations of an anamorphic optical system. The balancing of classical aberrations and their standard deviations are discussed. We also present the Strehl ratio of the primary and secondary balanced aberrations.

  5. 2D/3D registration for X-ray guided bronchoscopy using distance map classification.

    Science.gov (United States)

    Xu, Di; Xu, Sheng; Herzka, Daniel A; Yung, Rex C; Bergtholdt, Martin; Gutierrez, Luis F; McVeigh, Elliot R

    2010-01-01

    In X-ray guided bronchoscopy of peripheral pulmonary lesions, airways and nodules are hardly visible in X-ray images. Transbronchial biopsy of peripheral lesions is often carried out blindly, resulting in degraded diagnostic yield. One solution of this problem is to superimpose the lesions and airways segmented from preoperative 3D CT images onto 2D X-ray images. A feature-based 2D/3D registration method is proposed for the image fusion between the datasets of the two imaging modalities. Two stereo X-ray images are used in the algorithm to improve the accuracy and robustness of the registration. The algorithm extracts the edge features of the bony structures from both CT and X-ray images. The edge points from the X-ray images are categorized into eight groups based on the orientation information of their image gradients. An orientation dependent Euclidean distance map is generated for each group of X-ray feature points. The distance map is then applied to the edge points of the projected CT images whose gradient orientations are compatible with the distance map. The CT and X-ray images are registered by matching the boundaries of the projected CT segmentations to the closest edges of the X-ray images after the orientation constraint is satisfied. Phantom and clinical studies were carried out to validate the algorithm's performance, showing a registration accuracy of 4.19(± 0.5) mm with 48.39(± 9.6) seconds registration time. The algorithm was also evaluated on clinical data, showing promising registration accuracy and robustness.

  6. Locating and Visualizing Crystals for X-Ray Diffraction Experiments.

    Science.gov (United States)

    Becker, Michael; Kissick, David J; Ogata, Craig M

    2017-01-01

    Macromolecular crystallography has advanced from using macroscopic crystals, which might be >1 mm on a side, to crystals that are essentially invisible to the naked eye, or even under a standard laboratory microscope. As crystallography requires recognizing crystals when they are produced, and then placing them in an X-ray, electron, or neutron beam, this provides challenges, particularly in the case of advanced X-ray sources, where beams have very small cross sections and crystals may be vanishingly small. Methods for visualizing crystals are reviewed here, and examples of different types of cases are presented, including: standard crystals, crystals grown in mesophase, in situ crystallography, and crystals grown for X-ray Free Electron Laser or Micro Electron Diffraction experiments. As most techniques have limitations, it is desirable to have a range of complementary techniques available to identify and locate crystals. Ideally, a given technique should not cause sample damage, but sometimes it is necessary to use techniques where damage can only be minimized. For extreme circumstances, the act of probing location may be coincident with collecting X-ray diffraction data. Future challenges and directions are also discussed.

  7. Single-shot 3D structure determination of nanocrystals with femtosecond X-ray free electron laser pulses

    CERN Document Server

    Xu, Rui; Song, Changyong; Rodriguez, Jose A; Huang, Zhifeng; Chen, Chien-Chun; Nam, Daewoong; Park, Jaehyun; Gallagher-Jones, Marcus; Kim, Sangsoo; Kim, Sunam; Suzuki, Akihiro; Takayama, Yuki; Oroguchi, Tomotaka; Takahashi, Yukio; Fan, Jiadong; Zou, Yunfei; Hatsui, Takaki; Inubushi, Yuichi; Kameshima, Takashi; Yonekura, Koji; Tono, Kensuke; Togashi, Tadashi; Sato, Takahiro; Yamamoto, Masaki; Nakasako, Masayoshi; Yabashi, Makina; Ishikawa, Tetsuya; Miao, Jianwei

    2013-01-01

    Coherent diffraction imaging (CDI) using synchrotron radiation, X-ray free electron lasers (X-FELs), high harmonic generation, soft X-ray lasers, and optical lasers has found broad applications across several disciplines. An active research direction in CDI is to determine the structure of single particles with intense, femtosecond X-FEL pulses based on diffraction-before-destruction scheme. However, single-shot 3D structure determination has not been experimentally realized yet. Here we report the first experimental demonstration of single-shot 3D structure determination of individual nanocrystals using ~10 femtosecond X-FEL pulses. Coherent diffraction patterns are collected from high-index-faceted nanocrystals, each struck by a single X-FEL pulse. Taking advantage of the symmetry of the nanocrystal, we reconstruct the 3D structure of each nanocrystal from a single-shot diffraction pattern at ~5.5 nm resolution. As symmetry exists in many nanocrystals and virus particles, this method can be applied to 3D st...

  8. X-ray diffraction and the beginnings of X-ray crystallography

    Energy Technology Data Exchange (ETDEWEB)

    Juretschke, H.J. [Polytechnic Univ., Brooklyn, NY (United States)

    1995-12-31

    A retelling of the discovery of X-ray diffraction in Munich in 1912, and an overview of its rapidity spreading applications to crystal structure determination. The early work by Laue`s group and by approaches and different instrumentation, soon set two basic patterns of investigations in this field, with Ewald offering a grand theoretical framework for encompassing both. Some of the successes, problems, and interplays of these trends are reviewed, also as reflected in the stimulation and response by other early participants in structural research, as well as by the interruptions caused by the first World War.

  9. New-corrected functions of X-ray powder diffraction

    Institute of Scientific and Technical Information of China (English)

    ZHANG QingLi; LIU WenPeng; DING LiHua; JIANG HaiHe; YIN ShaoTang

    2009-01-01

    X-ray powder diffraction is an indispensable technique to study material structure,phase transition and so on.It is necessary for high quality diffraction data to get high-precision diffraction angle.This work proposed four corrected functions of X-ray powder diffraction angle.Two methods,linearization method and modified Levenberg-Marquardt iteration method,are given to solve the function parameters,and the modified Levenberg-Marquardt method has fast convergent speed and stable solution.Two methods can give closed parameters,including those of Lu,Liu,and Chu functions and polynomial.New-corrected functions were used to fit the diffraction angle error of the tetragonal rutile polycrystalline TiO_2 mixed with Gd_(0.45)Y_(2.55)Sc_2Ga_3O_(12) as a standard sample,and the computation result indicates that these functions can characterize the diffraction error very well.In some cases,the new-corrected functions can describe the diffraction angle error better than the reported corrected functions.At the same time,the lattice parameter of Gd_(0.45)Y_(2.55)Sc_2Ga_3O_(12) was computed with two methods.When the corrected function parameters and lattice parameters were solved by the least square method,the interaction of the function parameters and lattice parameters would result in great error.However,when the X-ray diffraction angles were corrected by corrected functions using a standard sample,the authentic lattice parameters can be obtained by the least square fitting.

  10. Focal construct geometry for high intensity energy dispersive x-ray diffraction based on x-ray capillary optics.

    Science.gov (United States)

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi; Jiang, Bowen; Zhu, Yu

    2016-03-14

    We presented a focal construct geometry (FCG) method for high intensity energy dispersive X-ray diffraction by utilizing a home-made ellipsoidal single-bounce capillary (ESBC) and a polycapillary parallel X-ray lens (PPXRL). The ESBC was employed to focus the X-rays from a conventional laboratory source into a small focal spot and to produce an annular X-ray beam in the far-field. Additionally, diffracted polychromatic X-rays were confocally collected by the PPXRL attached to a stationary energy-resolved detector. Our FCG method based on ESBC and PPXRL had achieved relatively high intensity diffraction peaks and effectively narrowed the diffraction peak width which was helpful in improving the potential d-spacing resolution for material phase analysis.

  11. 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)....

  12. Structured illumination for tomographic X-ray diffraction imaging.

    Science.gov (United States)

    Greenberg, Joel A; Hassan, Mehadi; Krishnamurthy, Kalyani; Brady, David

    2014-02-21

    Tomographic imaging of the molecular structure of an object is important for a variety of applications, ranging from medical and industrial radiography to security screening. X-ray diffraction imaging is the preeminent technique for performing molecular analysis of large volumes. Here we propose and demonstrate a new measurement architecture to improve the source and detector efficiency for diffraction imaging. In comparison with previous techniques, our approach reduces the required overall scan time by 1-2 orders of magnitude, which makes possible real-time scanning of a broad range of materials over a large volume using a table-top setup. This method, which relies on structuring spatially the illumination incident on an object moving relative to the X-ray source, is compatible with existing systems and has the potential to significantly enhance performance in an array of areas, such as medical diagnostic imaging and explosives detection.

  13. 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

  14. Portable energy dispersive X-ray fluorescence and X-ray diffraction and radiography system for archaeometry

    Energy Technology Data Exchange (ETDEWEB)

    Mendoza Cuevas, Ariadna, E-mail: ariadna@mail.or [Archaeometry Laboratory, Colegio Universitario San Geronimo de La Habana, Obispo, entre San Ignacio y Mercaderes, Habana Vieja, cp 10 100, Havana (Cuba); Perez Gravie, Homero, E-mail: homero.perezgravie@mail.co [Archaeometry Laboratory, Colegio Universitario San Geronimo de La Habana, Obispo, entre San Ignacio y Mercaderes, Habana Vieja, cp 10 100, Havana (Cuba)

    2011-03-21

    Starting on a laboratory developed portable X-ray fluorescence (PXRF) spectrometer; three different analytical results can be performed: analysis of chemical elements, analysis of major chemical crystalline phase and structural analysis, which represents a contribution to a new, low cost development of portable X-ray analyzer; since these results are respectively obtained with independent equipments for X-ray fluorescence, X-ray diffraction and radiography. Detection limits of PXRF were characterized using standard reference materials for ceramics, glass, bronze and bones, which are the main materials requiring quantitative analysis in art and archeological objects. A setup for simultaneous energy dispersive X-ray fluorescence and diffraction (ED (XRF-XRD)) in the reflection mode has been tested for in situ and non-destructive analysis according to the requirements of art objects inspection. The system uses a single low power X-ray tube and an X-ray energy dispersive detector to measure X-ray diffraction spectrum at a fixed angle. Application to the identification of jadeite-jade mineral in archeological objects by XRD is presented. A local high resolution radiography image obtained with the same low power X-ray tube allows for studies in painting and archeological bones.

  15. Three-dimensional coherent X-ray diffraction imaging of a whole, frozen-hydrated cell

    CERN Document Server

    Rodriguez, Jose A; Chen, Chien-Chun; Huang, Zhifeng; Jiang, Huaidong; Raines, Kevin S; Nam, Daewoong; Chen, Allan L; Pryor, A J; Wiegart, Lutz; Song, Changyong; Madsen, Anders; Chushkin, Yuriy; Zontone, Federico; Bradley, Peter J; Miao, Jianwei

    2014-01-01

    A structural understanding of whole cells in three dimensions at high spatial resolution remains a significant challenge and, in the case of X-rays, has been limited by radiation damage. By alleviating this limitation, cryogenic coherent diffraction imaging (cryo-CDI) could bridge the important resolution gap between optical and electron microscopy in bio-imaging. Here, we report for the first time 3D cryo-CDI of a whole, frozen-hydrated cell - in this case a Neospora caninum tachyzoite - using 8 keV X-rays. Our 3D reconstruction reveals the surface and internal morphology of the cell, including its complex, polarized sub-cellular architecture with a 3D resolution of ~75-100 nm, which is presently limited by the coherent X-ray flux and detector size. Given the imminent improvement in the coherent X-ray flux at the facilities worldwide, our work forecasts the possibility of routine 3D imaging of frozen-hydrated cells with spatial resolutions in the tens of nanometres.

  16. 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...... from the totally substrate-reflected beam ( two-beam approximation) and refraction effects are also included in the program, together with the geometrical intensity corrections associated with GIXD measurements. To achieve 'user friendliness' for scientists less familiar with diffraction......, 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....

  17. 3D Prior Image Constrained Projection Completion for X-ray CT Metal Artifact Reduction

    NARCIS (Netherlands)

    Mehranian, Abolfazl; Ay, Mohammad Reza; Rahmim, Arman; Zaidi, Habib

    2013-01-01

    The presence of metallic implants in the body of patients undergoing X-ray computed tomography (CT) examinations often results insevere streaking artifacts that degrade image quality. In this work, we propose a new metal artifact reduction (MAR) algorithm for 2D fan-beam and 3D cone-beam CT based on

  18. 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

  19. Fast generation of virtual X-ray images for reconstruction of 3D anatomy.

    Science.gov (United States)

    Ehlke, Moritz; Ramm, Heiko; Lamecker, Hans; Hege, Hans-Christian; Zachow, Stefan

    2013-12-01

    We propose a novel GPU-based approach to render virtual X-ray projections of deformable tetrahedral meshes. These meshes represent the shape and the internal density distribution of a particular anatomical structure and are derived from statistical shape and intensity models (SSIMs). We apply our method to improve the geometric reconstruction of 3D anatomy (e.g. pelvic bone) from 2D X-ray images. For that purpose, shape and density of a tetrahedral mesh are varied and virtual X-ray projections are generated within an optimization process until the similarity between the computed virtual X-ray and the respective anatomy depicted in a given clinical X-ray is maximized. The OpenGL implementation presented in this work deforms and projects tetrahedral meshes of high resolution (200.000+ tetrahedra) at interactive rates. It generates virtual X-rays that accurately depict the density distribution of an anatomy of interest. Compared to existing methods that accumulate X-ray attenuation in deformable meshes, our novel approach significantly boosts the deformation/projection performance. The proposed projection algorithm scales better with respect to mesh resolution and complexity of the density distribution, and the combined deformation and projection on the GPU scales better with respect to the number of deformation parameters. The gain in performance allows for a larger number of cycles in the optimization process. Consequently, it reduces the risk of being stuck in a local optimum. We believe that our approach will improve treatments in orthopedics, where 3D anatomical information is essential.

  20. 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.

  1. Identifications studies of Lauha Bhasma by X-ray diffraction and X-ray fluorescence

    Science.gov (United States)

    Bhargava, S. C.; Reddy, K. R. C; Sastry, G. V. S

    2012-01-01

    Procedures for preparation of Lauha Bhasma are described in ancient texts of Ayurveda. These procedures also begin with different source material for iron such as Teekshna Lauha and Kanta Lauha etc. In the present study, we have selected different source materials viz. magnetite iron ore for Kanta Lauha and pure (Armco grade) iron turnings for Teekshna Lauha. The standard procedures of preparation of Lauha Bhasma are carried out in identical conditions for these two raw materials. The final product from the Puta are characterized by using X-ray diffraction and X-ray fluorescence spectroscopy to understanding the crystallographic form or forms of iron oxides and their composition at the end of each Puta. The iron content at the end of repeated Putas (18 for Kanta Lauha and 20 for Teekshna Lauha) have shown a decrease in case of Teekshna Lauha since the starting material is pure iron while it showed only marginal decreases in the case of Kanta Lauha because the Fe3O4 of magnetite is undergoing oxidation to Fe2O3. The trace elements remain within the Bhasma in the form of various oxides of Si, Al, Ca, etc. PMID:23049200

  2. Identifications studies of Lauha Bhasma by X-ray diffraction and X-ray fluorescence.

    Science.gov (United States)

    Bhargava, S C; Reddy, K R C; Sastry, G V S

    2012-01-01

    Procedures for preparation of Lauha Bhasma are described in ancient texts of Ayurveda. These procedures also begin with different source material for iron such as Teekshna Lauha and Kanta Lauha etc. In the present study, we have selected different source materials viz. magnetite iron ore for Kanta Lauha and pure (Armco grade) iron turnings for Teekshna Lauha. The standard procedures of preparation of Lauha Bhasma are carried out in identical conditions for these two raw materials. The final product from the Puta are characterized by using X-ray diffraction and X-ray fluorescence spectroscopy to understanding the crystallographic form or forms of iron oxides and their composition at the end of each Puta. The iron content at the end of repeated Putas (18 for Kanta Lauha and 20 for Teekshna Lauha) have shown a decrease in case of Teekshna Lauha since the starting material is pure iron while it showed only marginal decreases in the case of Kanta Lauha because the Fe(3)O(4) of magnetite is undergoing oxidation to Fe(2)O(3). The trace elements remain within the Bhasma in the form of various oxides of Si, Al, Ca, etc.

  3. 3D ablation catheter localisation using individual C-arm x-ray projections

    Science.gov (United States)

    Haase, C.; Schäfer, D.; Dössel, O.; Grass, M.

    2014-11-01

    Cardiac ablation procedures during electrophysiology interventions are performed under x-ray guidance with a C-arm imaging system. Some procedures require catheter navigation in complex anatomies like the left atrium. Navigation aids like 3D road maps and external tracking systems may be used to facilitate catheter navigation. As an alternative to external tracking a fully automatic method is presented here that enables the calculation of the 3D location of the ablation catheter from individual 2D x-ray projections. The method registers a high resolution, deformable 3D attenuation model of the catheter to a 2D x-ray projection. The 3D localization is based on the divergent beam projection of the catheter. On an individual projection, the catheter tip is detected in 2D by image filtering and a template matching method. The deformable 3D catheter model is adapted using the projection geometry provided by the C-arm system and 2D similarity measures for an accurate 2D/3D registration. Prior to the tracking and registration procedure, the deformable 3D attenuation model is automatically extracted from a separate 3D cone beam CT reconstruction of the device. The method can hence be applied to various cardiac ablation catheters. In a simulation study of a virtual ablation procedure with realistic background, noise, scatter and motion blur an average 3D registration accuracy of 3.8 mm is reached for the catheter tip. In this study four different types of ablation catheters were used. Experiments using measured C-arm fluoroscopy projections of a catheter in a RSD phantom deliver an average 3D accuracy of 4.5 mm.

  4. High pressure x-ray diffraction techniques with synchrotron radiation

    Science.gov (United States)

    Jing, Liu

    2016-07-01

    This article summarizes the developments of experimental techniques for high pressure x-ray diffraction (XRD) in diamond anvil cells (DACs) using synchrotron radiation. Basic principles and experimental methods for various diffraction geometry are described, including powder diffraction, single crystal diffraction, radial diffraction, as well as coupling with laser heating system. Resolution in d-spacing of different diffraction modes is discussed. More recent progress, such as extended application of single crystal diffraction for measurements of multigrain and electron density distribution, time-resolved diffraction with dynamic DAC and development of modulated heating techniques are briefly introduced. The current status of the high pressure beamline at BSRF (Beijing Synchrotron Radiation Facility) and some results are also presented. Project supported by the National Natural Science Foundation of China (Grant Nos. 10875142, 11079040, and 11075175). The 4W2 beamline of BSRF was supported by the Chinese Academy of Sciences (Grant Nos. KJCX2-SW-N20, KJCX2-SW-N03, and SYGNS04).

  5. X-ray diffraction properties of highly oriented pyrolytic graphite

    Energy Technology Data Exchange (ETDEWEB)

    Freund, A.K.; Munkholm, A.; Brennan, S. [Stanford Synchrotron Radiation Lab., CA (United States)

    1996-12-31

    The x-ray diffraction properties of highly oriented pyrolytic graphite (HOPG) were studied for x-ray energies ranging from 4 to 60 keV. In particular, the secondary extinction thickness was determined by recording the peak and integrated reflectivity as a function of depth below the surface. The results showed that for the high quality material investigated a thickness of 200 to 300 {micro}m was sufficient to get 80% of the maximum reflectivity that is obtained for a very thick plate. Primary extinction was important for low energy and still persisted at higher energies. Inhomogeneities of the mosaic structure were observed, too, that make this material not a truly ideal mosaic monochromator crystal. However, quite high peak reflectivities between 35% and 58% were measured at FWHM of 0.25 to 0.45 degrees. A 200 {micro}m thick plate was then prepared and glued on a bending device to manufacture a monochromator or analyzer with variable curvature that works from flat down to a minimum bending radius of 10 cm. The successful tests of this device confirmed that HOPG plates much thinner than those commonly used as x-ray monochromators and analyzers still have high efficiency and can be curved to achieve dynamical focusing.

  6. 3D localization of electrophysiology catheters from a single x-ray cone-beam projection

    Energy Technology Data Exchange (ETDEWEB)

    Robert, Normand, E-mail: normand.robert@sri.utoronto.ca; Polack, George G.; Sethi, Benu; Rowlands, John A. [Physical Sciences, Sunnybrook Research Institute, 2075 Bayview Avenue, Toronto, Ontario M4N 3M5 (Canada); Crystal, Eugene [Division of Cardiology, Sunnybrook Health Sciences Centre, 2075 Bayview Avenue, Toronto, Ontario M4N 3M5 (Canada)

    2015-10-15

    Purpose: X-ray images allow the visualization of percutaneous devices such as catheters in real time but inherently lack depth information. The provision of 3D localization of these devices from cone beam x-ray projections would be advantageous for interventions such as electrophysiology (EP), whereby the operator needs to return a device to the same anatomical locations during the procedure. A method to achieve real-time 3D single view localization (SVL) of an object of known geometry from a single x-ray image is presented. SVL exploits the change in the magnification of an object as its distance from the x-ray source is varied. The x-ray projection of an object of interest is compared to a synthetic x-ray projection of a model of said object as its pose is varied. Methods: SVL was tested with a 3 mm spherical marker and an electrophysiology catheter. The effect of x-ray acquisition parameters on SVL was investigated. An independent reference localization method was developed to compare results when imaging a catheter translated via a computer controlled three-axes stage. SVL was also performed on clinical fluoroscopy image sequences. A commercial navigation system was used in some clinical image sequences for comparison. Results: SVL estimates exhibited little change as x-ray acquisition parameters were varied. The reproducibility of catheter position estimates in phantoms denoted by the standard deviations, (σ{sub x}, σ{sub y}, σ{sub z}) = (0.099 mm,  0.093 mm,  2.2 mm), where x and y are parallel to the detector plane and z is the distance from the x-ray source. Position estimates (x, y, z) exhibited a 4% systematic error (underestimation) when compared to the reference method. The authors demonstrated that EP catheters can be tracked in clinical fluoroscopic images. Conclusions: It has been shown that EP catheters can be localized in real time in phantoms and clinical images at fluoroscopic exposure rates. Further work is required to characterize

  7. Microbeam x-ray diffraction analysis of dental calculus.

    Science.gov (United States)

    Kani, T; Kani, M; Moriwaki, Y; Doi, Y

    1983-02-01

    The crystalline components of human dental calculus were investigated using microbeam x-ray diffraction analysis. Hydroxyapatite and octacalcium phosphate were most frequently found in that portion having porous and zonal structure. In the portion of the homogeneous illustration showing high calcification, whitlockite is a main component. Brushite was unexpectedly rare, and no calcite was detected in any portion of human dental calculus. The mechanism of the formation of dental calculus being considered in this paper is that octacalcium phosphate or brushite is formed during the initial stage of calcification of dental plaque, and is gradually hydrolyzed and transformed into hydroxyapatite and/or whitlockite.

  8. Ultrafast X-Ray Diffraction of Heterogeneous Solid Hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Levitan, Abraham [Olin College of Engineering, Needham, MA (United States)

    2015-08-19

    Angularly resolved x-ray diffraction at 5.5 keV establishes the structure of a 5 µm diameter solid hydrogen jet, providing a foundation for analysis of hydrogen in a warm dense matter state. The jet was composed of approximately 65 % ± 5% HCP and 35 % ± 5% FCC by volume with an average crystallite size on the order of hundreds of nanometers. Broadening in the angularly resolved spectrum provided strong evidence for anisotropic strain up to approximately 3 % in the HCP lattice. Finally, we found no evidence for orientational ordering of the crystal domains.

  9. Ab initio structure determination via powder X-ray diffraction

    Indian Academy of Sciences (India)

    Digamber G Porob; T N Guru Row

    2001-10-01

    Structure determination by powder X-ray diffraction data has gone through a recent surge since it has become important to get to the structural information of materials which do not yield good quality single crystals. Although the method of structure completion when once the starting model is provided is facile through the Rietveld refinement technique, the structure solution ab initio os still not push-button technology. In this article a survey of the recent development in this area is provided with an illustration of the structure determination of -NaBi3V2O10.

  10. 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...... the formation of a regular array of screw dislocations. This satellite reflection first appears at an annealing temperature of 800 degrees C, and increases abruptly up to temperatures of 1000 degrees C. We propose that this transition occurs when there is sufficient mobility for the reorganization of atomic...

  11. Anomalous X-ray Diffraction Studies for Photovoltaic Applications

    Energy Technology Data Exchange (ETDEWEB)

    2011-06-22

    Anomalous X-ray Diffraction (AXRD) has become a useful technique in characterizing bulk and nanomaterials as it provides specific information about the crystal structure of materials. In this project we present the results of AXRD applied to materials for photovoltaic applications: ZnO loaded with Ga and ZnCo{sub 2}O{sub 4} spinel. The X-ray diffraction data collected for various energies were plotted in Origin software. The peaks were fitted using different functions including Pseudo Voigt, Gaussian, and Lorentzian. This fitting provided the integrated intensity data (peaks area values), which when plotted as a function of X-ray energies determined the material structure. For the first analyzed sample, Ga was not incorporated into the ZnO crystal structure. For the ZnCo{sub 2}O{sub 4} spinel Co was found in one or both tetrahedral and octahedral sites. The use of anomalous X-ray diffraction (AXRD) provides element and site specific information for the crystal structure of a material. This technique lets us correlate the structure to the electronic properties of the materials as it allows us to probe precise locations of cations in the spinel structure. What makes it possible is that in AXRD the diffraction pattern is measured at a number of energies near an X-ray absorption edge of an element of interest. The atomic scattering strength of an element varies near its absorption edge and hence the total intensity of the diffraction peak changes by changing the X-ray energy. Thus AXRD provides element specific structural information. This method can be applied to both crystalline and liquid materials. One of the advantages of AXRD in crystallography experiments is its sensitivity to neighboring elements in the periodic tables. This method is also sensitive to specific crystallographic phases and to a specific site in a phase. The main use of AXRD in this study is for transparent conductors (TCs) analysis. TCs are considered to be important materials because of their

  12. 3D global estimation and augmented reality visualization of intra-operative X-ray dose.

    Science.gov (United States)

    Rodas, Nicolas Loy; Padoy, Nicolas

    2014-01-01

    The growing use of image-guided minimally-invasive surgical procedures is confronting clinicians and surgical staff with new radiation exposure risks from X-ray imaging devices. The accurate estimation of intra-operative radiation exposure can increase staff awareness of radiation exposure risks and enable the implementation of well-adapted safety measures. The current surgical practice of wearing a single dosimeter at chest level to measure radiation exposure does not provide a sufficiently accurate estimation of radiation absorption throughout the body. In this paper, we propose an approach that combines data from wireless dosimeters with the simulation of radiation propagation in order to provide a global radiation risk map in the area near the X-ray device. We use a multi-camera RGBD system to obtain a 3D point cloud reconstruction of the room. The positions of the table, C-arm and clinician are then used 1) to simulate the propagation of radiation in a real-world setup and 2) to overlay the resulting 3D risk-map onto the scene in an augmented reality manner. By using real-time wireless dosimeters in our system, we can both calibrate the simulation and validate its accuracy at specific locations in real-time. We demonstrate our system in an operating room equipped with a robotised X-ray imaging device and validate the radiation simulation on several X-ray acquisition setups.

  13. Ultrafast molecular processes mapped by femtosecond x-ray diffraction

    Science.gov (United States)

    Elsaesser, Thomas

    2012-02-01

    X-ray diffraction with a femtosecond time resolution allows for mapping photoinduced structural dynamics on the length scale of a chemical bond and in the time domain of atomic and molecular motion. In a pump-probe approach, a femtosecond excitation pulse induces structural changes which are probed by diffracting a femtosecond hard x-ray pulse from the excited sample. The transient angular positions and intensities of diffraction peaks give insight into the momentary atomic or molecular positions and into the distribution of electronic charge density. The simultaneous measurement of changes on different diffraction peaks is essential for determining atom positions and charge density maps with high accuracy. Recent progress in the generation of ultrashort hard x-ray pulses (Cu Kα, wavelength λ=0.154 nm) in laser-driven plasma sources has led to the implementation of the powder diffraction and the rotating crystal method with a time resolution of 100 fs. In this contribution, we report new results from powder diffraction studies of molecular materials. A first series of experiments gives evidence of a so far unknown concerted transfer of electrons and protons in ammonium sulfate [(NH4)2SO4], a centrosymmetric structure. Charge transfer from the sulfate groups results in the sub-100 fs generation of a confined electron channel along the c-axis of the unit cell which is stabilized by transferring protons from the adjacent ammonium groups into the channel. Time-dependent charge density maps display a periodic modulation of the channel's charge density by low-frequency lattice motions with a concerted electron and proton motion between the channel and the initial proton binding site. A second study addresses atomic rearrangements and charge dislocations in the non-centrosymmetric potassium dihydrogen phosphate [KH2PO4, KDP]. Photoexcitation generates coherent low-frequency motions along the LO and TO phonon coordinates, leaving the average atomic positions unchanged

  14. Imaging of complex density in silver nanocubes by coherent x-ray diffraction

    Science.gov (United States)

    Harder, R.; Liang, M.; Sun, Y.; Xia, Y.; Robinson, I. K.

    2010-03-01

    When using coherent x-rays to perform lensless imaging, it is the complex wave field exiting the sample or, in the case of the Bragg geometry, the deformed electron density distribution of a crystal, that is being sought. For most samples, to some extent, the image will be complex, containing both an amplitude and phase variation across the sample. We have developed versions of the hybrid input-output (HIO) and error reduction (ER) algorithms that are very robust for the inversion to complex objects from three-dimensional (3D) coherent x-ray diffraction (CXD) data measured around a Bragg spot of a small crystal. The development and behavior of these algorithms will be discussed in the context of inverting a 3D CXD pattern measured around a (111) Bragg spot of a silver nanocube.

  15. 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}).

  16. X-ray diffraction study of arsenopyrite at high pressure

    Science.gov (United States)

    Fan, D. W.; Ma, M. N.; Zhou, W. G.; Wei, S. Y.; Chen, Z. Q.; Xie, H. S.

    2011-02-01

    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 0, and K' 0 refined with a third-order Birch-Murnaghan EOS are K 0 = 123(9) GPa, and K' 0 = 5.2(8). Furthermore, we confirm that the linear compressibilities (β) along a, b and c directions of arsenopyrite is elastically isotropic (β a = 6.82 × 10-4, β b = 6.17 × 10-4 and β c = 6.57 × 10-4 GPa-1).

  17. Characterization of Brazilian asphalt using X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cardoso, Edson R.; Pinto, Nivia G.V.; Almeida, Ana P.G.; Braz, Delson; Lopes, Ricardo T. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia (COPPE). Lab. de Instrumentacao Nuclear], E-mail: ecardoso@lin.ufrj.br; Barroso, Regina C. [Universidade do Estado do Rio de Janeiro (UERJ), Rio de Janeiro, RJ (Brazil). Inst. de Fisica], E-mail: cely@uerj.br; Motta, Laura M.G. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia (COPPE). Lab. de Geotecnia], E-mail: laura@coc.ufrj.br

    2007-07-01

    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 {theta}-2{theta} 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)

  18. X-ray diffraction of III-nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Moram, M A; Vickers, M E [Department of Materials Science and Metallurgy, University of Cambridge, Pembroke St., Cambridge, CB2 3QZ (United Kingdom)], E-mail: mam65@cam.ac.uk

    2009-03-15

    The III-nitrides include the semiconductors AlN, GaN and InN, which have band gaps spanning the entire UV and visible ranges. Thin films of III-nitrides are used to make UV, violet, blue and green light-emitting diodes and lasers, as well as solar cells, high-electron mobility transistors (HEMTs) and other devices. However, the film growth process gives rise to unusually high strain and high defect densities, which can affect the device performance. X-ray diffraction is a popular, non-destructive technique used to characterize films and device structures, allowing improvements in device efficiencies to be made. It provides information on crystalline lattice parameters (from which strain and composition are determined), misorientation (from which defect types and densities may be deduced), crystallite size and microstrain, wafer bowing, residual stress, alloy ordering, phase separation (if present) along with film thicknesses and superlattice (quantum well) thicknesses, compositions and non-uniformities. These topics are reviewed, along with the basic principles of x-ray diffraction of thin films and areas of special current interest, such as analysis of non-polar, semipolar and cubic III-nitrides. A summary of useful values needed in calculations, including elastic constants and lattice parameters, is also given. Such topics are also likely to be relevant to other highly lattice-mismatched wurtzite-structure materials such as heteroepitaxial ZnO and ZnSe.

  19. X-ray diffraction of III-nitrides

    Science.gov (United States)

    Moram, M A; Vickers, M E

    2009-03-01

    The III-nitrides include the semiconductors AlN, GaN and InN, which have band gaps spanning the entire UV and visible ranges. Thin films of III-nitrides are used to make UV, violet, blue and green light-emitting diodes and lasers, as well as solar cells, high-electron mobility transistors (HEMTs) and other devices. However, the film growth process gives rise to unusually high strain and high defect densities, which can affect the device performance. X-ray diffraction is a popular, non-destructive technique used to characterize films and device structures, allowing improvements in device efficiencies to be made. It provides information on crystalline lattice parameters (from which strain and composition are determined), misorientation (from which defect types and densities may be deduced), crystallite size and microstrain, wafer bowing, residual stress, alloy ordering, phase separation (if present) along with film thicknesses and superlattice (quantum well) thicknesses, compositions and non-uniformities. These topics are reviewed, along with the basic principles of x-ray diffraction of thin films and areas of special current interest, such as analysis of non-polar, semipolar and cubic III-nitrides. A summary of useful values needed in calculations, including elastic constants and lattice parameters, is also given. Such topics are also likely to be relevant to other highly lattice-mismatched wurtzite-structure materials such as heteroepitaxial ZnO and ZnSe.

  20. Non-destructive investigations of a copper and argon doped sputtered beryllium capsule using x-rays in 3d

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, Brian M [Los Alamos National Laboratory; Defriend, Kimberly A [Los Alamos National Laboratory; Havrilla, George J [Los Alamos National Laboratory; Nikroo, Abbas [GENERAL ATOMICS

    2008-01-01

    The combination of 3D computed micro x-ray tomography (micro CT) and 3D confocal micro x-ray fluorescence (confocal MXRF) are very useful nondestructive metrology techniques for determining the unique compositional and morphological information of fusion targets and target materials.

  1. X-ray diffraction study of Be to megabar pressure

    CERN Document Server

    Nakano, K; Kawamura, H

    2002-01-01

    Powder x-ray diffraction experiments on a low-Z element, Be, were performed at pressures up to 171 GPa using the synchrotron radiation source at SPring-8. All profiles were assigned to the hcp structure of the ambient phase, and the theoretically predicted hcp-bcc phase transition was not observed. The previously proposed hcp-hexagonal phase transition around 14.5 GPa was also not confirmed. The equation of state of hcp-Be was determined by a least mean squares fitting to the Birch-Murnaghan equation from these diffraction data. Calculated values of K sub 0 and K sub 0 ' were 97.2 +- 2.5 GPa and 3.61 +- 0.07, respectively.

  2. X-ray diffraction studies of dynamically compressed diamond

    Energy Technology Data Exchange (ETDEWEB)

    Eggert, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2010-06-10

    We propose a series of experiments to use X-ray diffraction (XRD) to study material properties using the NIF. XRD is the best way to determine the structure, lattice deformation, and texture of materials. Advances in synchrotron XRD facilities in the past two decades have revolutionized the study of materials at static high pressure in diamond anvil cells (DACs) up to about 3 Mbar. The National Ignition Facility (NIF) has the potential to do the same for dynamic materials studies at high-pressure. Members of our scientific team have pioneered XRD on many smaller laser facilities around the world. Our results suggest that diffraction on solids approaching 100 Mbar may be possible on the NIF, providing access to new regime for matter at extreme conditions.

  3. 3D Medipix2 detector characterization with a micro-focused X-ray beam

    Science.gov (United States)

    Gimenez, E. N.; Maneuski, D.; Mac Raighne, A.; Parkes, C.; Bates, R.; O'Shea, V.; Fleta, C.; Pellegrini, G.; Lozano, M.; Alianelli, L.; Sawhney, K. J. S.; Marchal, J.; Tartoni, N.

    2011-05-01

    Three-dimensional (3D) photodiode detectors offer advantages over standard planar photodiodes in a wide range of applications. The main advantage of these sensors for X-ray imaging is their reduced charge sharing between adjacent pixels, which could improve spatial and spectral resolution. However, a drawback of 3D sensors structures is the loss of detection efficiency due to the presence in the pixel structure of heavily doped electrode columns which are insensitive to X-ray. In this work two types of 3D silicon detectors: n-type wafer with hole collecting readout-columns (N-TYPE) and p-type wafer with electron collecting readout-columns (P-TYPE), bump-bounded to a Medipix2 read-out chip were characterized with a 14.5 keV micro-focused X-ray beam from a synchrotron. Measurements of the detection efficiency and the charge sharing were performed at different bias voltages and Medipix2 energy thresholds and compared with those of a standard planar silicon sensor.

  4. Characterization of X-Ray Diffraction System with a Microfocus X-Ray Source and a Polycapillary Optic

    Science.gov (United States)

    Gubarev, Mikhail; Marshall, Joy K.; Ciszak, Ewa; Ponomarev, Igor

    2000-01-01

    We present here an optimized microfocus x-ray source and polycapillary optic system designed for diffraction of small protein crystals. The x-ray beam is formed by a 5.5mm focal length capillary collimator coupled with a 40 micron x-ray source operating at 46Watts. Measurements of the x-ray flux, the divergence and the spectral characteristics of the beam are presented, This optimized system provides a seven fold greater flux than our recently reported configuration [M. Gubarev, et al., J. of Applied Crystallography (2000) 33, in press]. We now make a comparison with a 5kWatts rotating anode generator (Rigaku) coupled with confocal multilayer focusing mirrors (Osmic, CMF12- 38Cu6). The microfocus x-ray source and polycapillary collimator system delivers 60% of the x-ray flux from the rotating anode system. Additional ways to improve our microfocus x-ray system, and thus increase the x-ray flux will be discussed.

  5. 3D X-ray imaging methods in support catheter ablations of cardiac arrhythmias.

    Science.gov (United States)

    Stárek, Zdeněk; Lehar, František; Jež, Jiří; Wolf, Jiří; Novák, Miroslav

    2014-10-01

    Cardiac arrhythmias are a very frequent illness. Pharmacotherapy is not very effective in persistent arrhythmias and brings along a number of risks. Catheter ablation has became an effective and curative treatment method over the past 20 years. To support complex arrhythmia ablations, the 3D X-ray cardiac cavities imaging is used, most frequently the 3D reconstruction of CT images. The 3D cardiac rotational angiography (3DRA) represents a modern method enabling to create CT like 3D images on a standard X-ray machine equipped with special software. Its advantage lies in the possibility to obtain images during the procedure, decreased radiation dose and reduction of amount of the contrast agent. The left atrium model is the one most frequently used for complex atrial arrhythmia ablations, particularly for atrial fibrillation. CT data allow for creation and segmentation of 3D models of all cardiac cavities. Recently, a research has been made proving the use of 3DRA to create 3D models of other cardiac (right ventricle, left ventricle, aorta) and non-cardiac structures (oesophagus). They can be used during catheter ablation of complex arrhythmias to improve orientation during the construction of 3D electroanatomic maps, directly fused with 3D electroanatomic systems and/or fused with fluoroscopy. An intensive development in the 3D model creation and use has taken place over the past years and they became routinely used during catheter ablations of arrhythmias, mainly atrial fibrillation ablation procedures. Further development may be anticipated in the future in both the creation and use of these models.

  6. Simultaneous X-ray fluorescence and scanning X-ray diffraction microscopy at the Australian Synchrotron XFM beamline

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Michael W. M.; Phillips, Nicholas W.; van Riessen, Grant A.; Abbey, Brian; Vine, David J.; Nashed, Youssef S. G.; Mudie, Stephen T.; Afshar, Nader; Kirkham, Robin; Chen, Bo; Balaur, Eugeniu; de Jonge, Martin D.

    2016-08-11

    Owing to its extreme sensitivity, quantitative mapping of elemental distributionsviaX-ray fluorescence microscopy (XFM) has become a key microanalytical technique. The recent realisation of scanning X-ray diffraction microscopy (SXDM) meanwhile provides an avenue for quantitative super-resolved ultra-structural visualization. The similarity of their experimental geometries indicates excellent prospects for simultaneous acquisition. Here, in both step- and fly-scanning modes, robust, simultaneous XFM-SXDM is demonstrated.

  7. X-Ray Diffraction and X-Ray Fluorescent Analyses of Prehistoric Pottery Shards from Ulu Kelantan

    OpenAIRE

    Zuliskandar Ramli; Nik H.S.N. Abdul Rahman; Adnan Jusoh; Yunus Sauman

    2011-01-01

    Problem statement: X-Ray Diffraction (XRD) and X-Ray Fluorescent (XRF) were used in order to obtain mineralogical and elemental composition of seven pottery shards that have been unearthed during the excavation at Peraling Cave and Cha Cave in Ulu Kelantan, Malaysia. Approach: Peraling Cave and Cha Cave were prehistoric sites dating from 10, 000 BC which were inhabited by Hoabinhian people and then continuously used by people of Neolithic culture around 3000 BC. Results: Mineralogical and ele...

  8. X-Ray Diffraction and Fluorescence Instrument for Mineralogical Analysis at the Lunar Surface Project

    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...

  9. X-Ray Diffraction and Fluorescence Instrument for Mineralogical Analysis at the Lunar Surface Project

    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,...

  10. Geometrical Calibration of X-Ray Imaging With RGB Cameras for 3D Reconstruction.

    Science.gov (United States)

    Albiol, Francisco; Corbi, Alberto; Albiol, Alberto

    2016-08-01

    We present a methodology to recover the geometrical calibration of conventional X-ray settings with the help of an ordinary video camera and visible fiducials that are present in the scene. After calibration, equivalent points of interest can be easily identifiable with the help of the epipolar geometry. The same procedure also allows the measurement of real anatomic lengths and angles and obtains accurate 3D locations from image points. Our approach completely eliminates the need for X-ray-opaque reference marks (and necessary supporting frames) which can sometimes be invasive for the patient, occlude the radiographic picture, and end up projected outside the imaging sensor area in oblique protocols. Two possible frameworks are envisioned: a spatially shifting X-ray anode around the patient/object and a moving patient that moves/rotates while the imaging system remains fixed. As a proof of concept, experiences with a device under test (DUT), an anthropomorphic phantom and a real brachytherapy session have been carried out. The results show that it is possible to identify common points with a proper level of accuracy and retrieve three-dimensional locations, lengths and shapes with a millimetric level of precision. The presented approach is simple and compatible with both current and legacy widespread diagnostic X-ray imaging deployments and it can represent a good and inexpensive alternative to other radiological modalities like CT.

  11. The first X-ray diffraction measurements on Mars

    Directory of Open Access Journals (Sweden)

    David Bish

    2014-11-01

    Full Text Available The Mars Science Laboratory landed in Gale crater on Mars in August 2012, and the Curiosity rover then began field studies on its drive toward Mount Sharp, a central peak made of ancient sediments. CheMin is one of ten instruments on or inside the rover, all designed to provide detailed information on the rocks, soils and atmosphere in this region. CheMin is a miniaturized X-ray diffraction/X-ray fluorescence (XRD/XRF instrument that uses transmission geometry with an energy-discriminating CCD detector. CheMin uses onboard standards for XRD and XRF calibration, and beryl:quartz mixtures constitute the primary XRD standards. Four samples have been analysed by CheMin, namely a soil sample, two samples drilled from mudstones and a sample drilled from a sandstone. Rietveld and full-pattern analysis of the XRD data reveal a complex mineralogy, with contributions from parent igneous rocks, amorphous components and several minerals relating to aqueous alteration. In particular, the mudstone samples all contain one or more phyllosilicates consistent with alteration in liquid water. In addition to quantitative mineralogy, Rietveld refinements also provide unit-cell parameters for the major phases, which can be used to infer the chemical compositions of individual minerals and, by difference, the composition of the amorphous component.

  12. In situ X-ray diffraction during pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Vonk, Vedran [Max-Planck-Institute for Metals Research, Stuttgart (Germany); Huijben, Mark [University of California, Berkeley (United States); Driessen, Kurt; Rijnders, Guus; Blank, Dave; Harkema, Sybolt [University of Twente, Enschede (Netherlands); Graafsma, Heinz [Deutsches Elektronen- Synchrotron, Hamburg (Germany)

    2007-07-01

    The use of in situ X-ray diffraction for the study of thin film growth enables in a straightforward way to derive the atomic structure, because the kinematical scattering approximation holds. Here we present the results of studying the heteroepitaxial growth by Pulsed Laser Deposition of complex oxides such as the High-T c superconductor YBa{sub 2}Cu{sub 3}O{sub 7-x} and the insulator LaAlO{sub 3} on SrTiO{sub 3}(001) substrates. A special sample chamber has been constructed to be used with synchrotron X-rays. Detailed pictures of the growth kinetics and of the atomic interface structure at deposition conditions result from fitting quantitatively both the intensity growth oscillations and the crystal truncation rods. The growth of the complex oxide thin films presented here is characterized by substantial interlayer-mass transport and large deviations from the bulk room-temperature atomic structure. The results show the effects of the interplay between formation and diffusion energies on the processes of nucleation and kinetics during heteroepitaxial growth.

  13. Phase retrieval methods for surface x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Saldin, D.K.; Harder, R.J.; Shneerson, V.L. [Department of Physics, University of Wisconsin-Milwaukee, Milwaukee, WI (United States); Moritz, W. [Institute of Crystallography and Applied Mineralogy, University of Munich, Munich (Germany)

    2001-11-26

    We develop an iterative input-output feedback method for the phasing of surface x-ray diffraction (SXRD) amplitudes that relies on successive operations in real and reciprocal space. We demonstrate its use for the recovery of the real and positive electron density of a surface unit cell from simulated SXRD intensities. We have successfully recovered the entire surface electron density in a case where the two-dimensional surface unit cell is the same as that of the bulk and also in one where the surface unit cell is four times larger than that of the bulk. We show that the exponential modelling algorithm for structure completion derived earlier from maximum entropy theory may be regarded as a special case of an input-output phasing algorithm with a particular form of object-domain operations. (author)

  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. Parts per Million Powder X-ray Diffraction.

    Science.gov (United States)

    Newman, Justin A; Schmitt, Paul D; Toth, Scott J; Deng, Fengyuan; Zhang, Shijie; Simpson, Garth J

    2015-11-01

    Here we demonstrate the use of second harmonic generation (SHG) microscopy-guided synchrotron powder X-ray diffraction (PXRD) for the detection of trace crystalline active pharmaceutical ingredients in a common polymer blend. The combined instrument is capable of detecting 100 ppm crystalline ritonavir in an amorphous hydroxypropyl methylcellulose matrix with a high signal-to-noise ratio (>5000). The high spatial resolution afforded by SHG microscopy allows for the use of a minibeam collimator to reduce the total volume of material probed by synchrotron PXRD. The reduction in probed volume results in reduced background from amorphous material. The ability to detect low crystalline loading has the potential to improve measurements in the formulation pipeline for pharmaceutical solid dispersions, for which even trace quantities of crystalline active ingredients can negatively impact the stability and bioavailability of the final drug product.

  16. Liquid structure of pure iron by X-ray diffraction

    Institute of Scientific and Technical Information of China (English)

    Jun Luo; Qijie Zhai; Pei Zhao; Xubo Qin

    2004-01-01

    The liquid structure of pure iron at 1540, 1560 and 1580℃ was studied by X-ray diffraction. The results show that near the melting point there is a medium-range order structure that fades away with the increasing temperature. The average nearest distance of atoms is almost independent of the melts temperature, but the average coordination number, the atom cluster size and the atom number in an atom cluster all decrease with the increasing temperature of the melt. Near the melting point there area lot of atom clusters in the pure iron melt. The atom cluster of pure iron has the body-centered cubic lattices, which are kept from the solid state. And the body-centered cubic lattices connect into network by occupying a same edge. The atoms in the surrounding of the atom clusters are arranged disorderly.

  17. STEMS3D: An X-ray spectral model for magnetar persistent radiations

    Science.gov (United States)

    Gogus, Ersin; Weng, Shan-Shan

    2016-07-01

    Anomalous X-ray pulsars and soft gamma-ray repeaters are recognized as the most promising magnetar candidates, as indicated by their energetic bursts and rapid spin-downs. It is expected that the strong magnetic field leaves distinctive imprints on the emergent radiation both by affecting the radiative processes in atmospheres of magnetars and by scattering in the upper magnetospheres. We construct a self-consistent physical model that incorporates emission from the magnetar surface and its reprocessing in the three-dimensional twisted magnetosphere using a Monte Carlo technique. The synthetic spectra are characterized by four parameters: surface temperature kT, surface magnetic field strength B, magnetospheric twist angle Δφ, and the normalized electron velocity β. We also create a tabular model (STEMS3D) and apply it to X-ray spectra of magnetars.

  18. 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.

  19. Automated reconstruction of curvilinear fibres from 3D datasets acquired by X-ray microtomography.

    Science.gov (United States)

    Eberhardt, C N; Clarke, A R

    2002-04-01

    The characterization of fibrous structures is important in both composites and textiles research for relating to the bulk properties of the material. However, the microscopic nature of the fibres and their high densities make them very difficult to characterize. Many techniques have been developed for the measurement and characterization of fibrous structures but they tend to be restricted to measurements on the sample surface or within physical cross-sections. X-ray microtomography can be used to non-destructively probe the internal structure of a range of fibrous materials, providing large amounts of 3D data. A technique has been developed for tracing fibres within 3D datasets acquired by X-ray microtomography and this has been applied to a glass fibre reinforced composite and also a non-woven textile sample. The 3D fibrous structures of both samples were successfully reconstructed and their fibre orientation distributions calculated. This technique enables novel characterizations, such as the through-thickness variation of fibre orientation in non-wovens.

  20. Flexible laboratory system for 3D x-ray microtomography of 3-50 mm specimens

    Science.gov (United States)

    Reimann, David A.; Flynn, Michael J.; Hames, Sean M.

    1995-03-01

    Point projection microradiography has established value for imaging large, wet, opaque, and intact specimens in 2D projection views. We have developed a 3D microtomography system by combining the principles of microradiography with computed tomography (CT). An extension of conventional CT methods is utilized to yield 3D data from 2D microradiographic projections. Use of 2D cone beam projections rather than 1D projections of a slice simplifies the specimen motion hardware, and reduces the amount of wasted radiation. Our imaging system consists of a microfocus x-ray source and x-ray image intensifier coupled to a CCD camera. The system is flexible in the size of specimens which can be imaged. Resolving power varies with specimen size from 4 lp/mm for 50 mm diameter objects to 40 lp/mm for 3 mm diameter objects. Image resolution is isotropic in three dimensions. The 3D nature of the resulting image data can be used to visualize internal structure and compute stereologic parameters such as volume, surface area, and surface/volume orientation. This instrument has been used to image bone specimens in studies of human vertebrae, human femoral necks, dog metacarpals, and rabbit tibias. Other applications include imaging small industrial parts, plastics, ceramics, composite materials, and geologic specimens.

  1. X-Ray Nanofocus CT: Visualising Of Internal 3D-Structures With Submicrometer Resolution

    Science.gov (United States)

    Weinekoetter, Christian

    2008-09-01

    High-resolution X-ray Computed Tomography (CT) allows the visualization and failure analysis of the internal micro structure of objects—even if they have complicated 3D-structures where 2D X-ray microscopy would give unclear information. During the past several years, computed tomography has progressed to higher resolution and quicker reconstruction of the 3D-volume. Most recently it even allows a three-dimensional look into the inside of materials with submicron resolution. With the use of nanofocus® tube technology, nanoCT®-systems are pushing forward into application fields that were exclusive to high cost and rare available synchrotron techniques. The study was performed with the new nanotom, a very compact laboratory system which allows the analysis of samples up to 120 mm in diameter and weighing up to 1 kg with exceptional voxel-resolution down to click, this technique will substitute destructive mechanical slicing and cutting in many applications. The initial CT results obtained with the nanotom® demonstrate that it is now possible to analyze the three-dimensional micro structure of materials and small objects with submicrometer resolution. Any internal difference in material, density or porosity within a sample can be visualized and data like distances can be measured. NanoCT® widely expands the spectrum of detectable micro-structures. The nanotom® opens a new dimension of 3D-microanalysis and will replace more destructive methods—saving costs and time per sample inspected.

  2. X-ray microscopy for in situ characterization of 3D nanostructural evolution in the laboratory

    Science.gov (United States)

    Hornberger, Benjamin; Bale, Hrishikesh; Merkle, Arno; Feser, Michael; Harris, William; Etchin, Sergey; Leibowitz, Marty; Qiu, Wei; Tkachuk, Andrei; Gu, Allen; Bradley, Robert S.; Lu, Xuekun; Withers, Philip J.; Clarke, Amy; Henderson, Kevin; Cordes, Nikolaus; Patterson, Brian M.

    2015-09-01

    X-ray microscopy (XRM) has emerged as a powerful technique that reveals 3D images and quantitative information of interior structures. XRM executed both in the laboratory and at the synchrotron have demonstrated critical analysis and materials characterization on meso-, micro-, and nanoscales, with spatial resolution down to 50 nm in laboratory systems. The non-destructive nature of X-rays has made the technique widely appealing, with potential for "4D" characterization, delivering 3D micro- and nanostructural information on the same sample as a function of sequential processing or experimental conditions. Understanding volumetric and nanostructural changes, such as solid deformation, pore evolution, and crack propagation are fundamental to understanding how materials form, deform, and perform. We will present recent instrumentation developments in laboratory based XRM including a novel in situ nanomechanical testing stage. These developments bridge the gap between existing in situ stages for micro scale XRM, and SEM/TEM techniques that offer nanometer resolution but are limited to analysis of surfaces or extremely thin samples whose behavior is strongly influenced by surface effects. Several applications will be presented including 3D-characterization and in situ mechanical testing of polymers, metal alloys, composites and biomaterials. They span multiple length scales from the micro- to the nanoscale and different mechanical testing modes such as compression, indentation and tension.

  3. High-resolution 3D X-ray imaging of intracranial nitinol stents

    Energy Technology Data Exchange (ETDEWEB)

    Snoeren, Rudolph M.; With, Peter H.N. de [Eindhoven University of Technology (TU/e), Faculty Electrical Engineering, Signal Processing Systems group (SPS), Eindhoven (Netherlands); Soederman, Michael [Karolinska University Hospital, Department of Neuroradiology, Stockholm (Sweden); Kroon, Johannes N.; Roijers, Ruben B.; Babic, Drazenko [Philips Healthcare, Best (Netherlands)

    2012-02-15

    To assess an optimized 3D imaging protocol for intracranial nitinol stents in 3D C-arm flat detector imaging. For this purpose, an image quality simulation and an in vitro study was carried out. Nitinol stents of various brands were placed inside an anthropomorphic head phantom, using iodine contrast. Experiments with objects were preceded by image quality and dose simulations. We varied X-ray imaging parameters in a commercially interventional X-ray system to set 3D image quality in the contrast-noise-sharpness space. Beam quality was varied to evaluate contrast of the stents while keeping absorbed dose below recommended values. Two detector formats were used, paired with an appropriate pixel size and X-ray focus size. Zoomed reconstructions were carried out and snapshot images acquired. High contrast spatial resolution was assessed with a CT phantom. We found an optimal protocol for imaging intracranial nitinol stents. Contrast resolution was optimized for nickel-titanium-containing stents. A high spatial resolution larger than 2.1 lp/mm allows struts to be visualized. We obtained images of stents of various brands and a representative set of images is shown. Independent of the make, struts can be imaged with virtually continuous strokes. Measured absorbed doses are shown to be lower than 50 mGy Computed Tomography Dose Index (CTDI). By balancing the modulation transfer of the imaging components and tuning the high-contrast imaging capabilities, we have shown that thin nitinol stent wires can be reconstructed with high contrast-to-noise ratio and good detail, while keeping radiation doses within recommended values. Experimental results compare well with imaging simulations. (orig.)

  4. 2D and 3D Terahertz Imaging and X-Rays CT for Sigillography Study

    Science.gov (United States)

    Fabre, M.; Durand, R.; Bassel, L.; Recur, B.; Balacey, H.; Bou Sleiman, J.; Perraud, J.-B.; Mounaix, P.

    2017-04-01

    Seals are part of our cultural heritage but the study of these objects is limited because of their fragility. Terahertz and X-Ray imaging are used to analyze a collection of wax seals from the fourteenth to eighteenth centuries. In this work, both techniques are compared in order to discuss their advantages and limits and their complementarity for conservation state study of the samples. Thanks to 3D analysis and reconstructions, defects and fractures are detected with an estimation of their depth position. The path from the parchment tongue inside the seals is also detected.

  5. X-ray enabled MOCASSIN: a 3D code for photoionized media

    CERN Document Server

    Ercolano, Barbara; Drake, Jeremy J; Raymond, John C

    2007-01-01

    We present a new version of the fully 3D photoionization and dust radiative transfer code, MOCASSIN, that uses a Monte Carlo approach for the transfer of radiation. The X-ray enabled MOCASSIN allows a fully geometry independent description of low-density gaseous environments strongly photoionized by a radiation field extending from radio to gamma rays. The code has been thoroughly benchmarked against other established codes routinely used in the literature, using simple plane parallel models designed to test performance under standard conditions. We show the results of our benchmarking exercise and discuss applicability and limitations of the new code, which should be of guidance for future astrophysical studies with MOCASSIN.

  6. 3D numerical model of the Omega Nebula (M17): simulated thermal X-ray emission

    CERN Document Server

    Reyes-Iturbide, J; Rosado, M; Rodríguez-Gónzalez, A; González, R F; Esquivel, A

    2009-01-01

    We present 3D hydrodynamical simulations of the superbubble M17, also known as the Omega nebula, carried out with the adaptive grid code yguazu'-a, which includes radiative cooling. The superbubble is modelled considering the winds of 11 individual stars from the open cluster inside the nebula (NGC 6618), for which there are estimates of the mass loss rates and terminal velocities based on their spectral types. These stars are located inside a dense interstellar medium, and they are bounded by two dense molecular clouds. We carried out three numerical models of this scenario, considering different line of sight positions of the stars (the position in the plane of the sky is known, thus fixed). Synthetic thermal X-ray emission maps are calculated from the numerical models and compared with ROSAT observations of this astrophysical object. Our models reproduce successfully both the observed X-ray morphology and the total X-ray luminosity, without taking into account thermal conduction effects.

  7. Toroidal and poloidal soft X-ray imaging system on the D3-D tokamak

    Science.gov (United States)

    Snider, R.; Evanko, R.; Haskovec, J.

    1988-02-01

    A toroidal soft X-ray imaging system is being added to the currently installed poloidal soft X-ray system on the D3-D tokamak. The poloidal array is used to determine the poloidal mode structure and location of internal helical MHD perturbations in the plasma. The new array will add toroidal mode identification capability. The four detector arrays are toroidally spaced in a manner which allows identification of toroidal mode numbers of up to 24. Beryllium vacuum windows separate the detectors from the tokamak vacuum and also serve as low energy filters. The separate detector vacuum chambers can be filled with a gas which changes the low energy cutoff of the system. By proper selection of the gas and pressure the low energy cutoff can be chosen over the entire range of the detector sensitivity (500 eV to 1200 eV). This capability can be used to produce crude X-ray spectra for the entire imaging system or for gain control.

  8. Calculations of magnetic x-ray dichroism in the 3d absorption spectra of rare-earth compounds

    NARCIS (Netherlands)

    GOEDKOOP, JB; THOLE, BT; VANDERLAAN, G; SAWATZKY, GA; DEGROOT, FMF; FUGGLE, JC; de Groot, Frank

    1988-01-01

    We present atomic calculations for the recently discovered magnetic x-ray dichroism (MXD) displayed by the 3d x-ray-absorption spectra of rare-earth compounds. The spectral shapes expected at T=0 K for linear polarization parallel and normal to the local magnetic field is given, together with the te

  9. 3D printing of preclinical X-ray computed tomographic data sets.

    Science.gov (United States)

    Doney, Evan; Krumdick, Lauren A; Diener, Justin M; Wathen, Connor A; Chapman, Sarah E; Stamile, Brian; Scott, Jeremiah E; Ravosa, Matthew J; Van Avermaete, Tony; Leevy, W Matthew

    2013-03-22

    Three-dimensional printing allows for the production of highly detailed objects through a process known as additive manufacturing. Traditional, mold-injection methods to create models or parts have several limitations, the most important of which is a difficulty in making highly complex products in a timely, cost-effective manner.(1) However, gradual improvements in three-dimensional printing technology have resulted in both high-end and economy instruments that are now available for the facile production of customized models.(2) These printers have the ability to extrude high-resolution objects with enough detail to accurately represent in vivo images generated from a preclinical X-ray CT scanner. With proper data collection, surface rendering, and stereolithographic editing, it is now possible and inexpensive to rapidly produce detailed skeletal and soft tissue structures from X-ray CT data. Even in the early stages of development, the anatomical models produced by three-dimensional printing appeal to both educators and researchers who can utilize the technology to improve visualization proficiency. (3, 4) The real benefits of this method result from the tangible experience a researcher can have with data that cannot be adequately conveyed through a computer screen. The translation of pre-clinical 3D data to a physical object that is an exact copy of the test subject is a powerful tool for visualization and communication, especially for relating imaging research to students, or those in other fields. Here, we provide a detailed method for printing plastic models of bone and organ structures derived from X-ray CT scans utilizing an Albira X-ray CT system in conjunction with PMOD, ImageJ, Meshlab, Netfabb, and ReplicatorG software packages.

  10. Ultrafast Time Resolved X-ray Diffraction Studies of Laser Heated Metals and Semiconductors

    Science.gov (United States)

    Chen, Peilin; Tomov, I. V.; Rentzepis, P. M.

    1998-03-01

    Time resolved hard x-ray diffraction has been employed to study the dynamics of lattice structure deformation. When laser pulse energy is deposited in a material it generates a non uniform transient temperature distribution, which alters the lattice structure of the crystal. The deformed crystal lattice will change the angle of diffraction for a monochromatic x-ray beam. We report picosecond and nanosecond time resolved x-ray diffraction measurements of the lattice temperature distribution, transient structure and stress, in Pt (111) and GaAs (111) crystals, caused by pulsed UV laser irradiation. An ArF excimer laser operated at 300 Hz was used, both, to drive an x-ray diode with copper anode and heat the crystal. Bragg diffracted x-ray radiation was recorded by a direct imaging x-ray CCD. Changes in the diffraction patterns induced by a few millijouls pulse energy were observed at different time delays between the laser heating pulse and the x-ray probing pulse. A kinematical model for time resolved x-ray diffraction was used to analyze the experimental data. Good agreement between the measured and calculated scattered x-ray intensities profiles was achieved, indicating that detailed time resolved x-ray diffraction measurements can be made with nanosecond and picosecond resolution for small temperature changes. Our system can detect changes in the lattice spacing of about 10-3 A.

  11. X-ray Diffraction Study of Molybdenum to 900 GPa

    Science.gov (United States)

    Wang, J.; Coppari, F.; Smith, R.; Eggert, J.; Boehly, T.; Collins, G. W.; Duffy, T. S.

    2013-12-01

    Molybdenum (Mo) is a transition metal that is important as a high-pressure standard. Its equation of state, structure, and melting behavior have been explored extensively in both experimental and theoretical studies. Melting data up to the Mbar pressure region from static compression experiments in the diamond anvil cell [Errandonea et al. 2004] are inconsistent with shock wave sound velocity measurements [Hixson et al., 1989]. There are also conflicting reports as to whether body-centered cubic (BCC) Mo transforms to a face-centered cubic (FCC), hexagonal close packed (HCP) or double hexagonal close packed (DHCP) structure at either high pressure or high pressure and temperature conditions [Belonoshko et al. 2008, Mikhaylushkin et al., 2008 and Cazorla et al., 2008]. Recently, a phase transition from BCC to the DHCP phase at 660 GPa and 0 K was predicted using the particle swam optimization (PSO) method (Wang et al, 2013). Here we report an x-ray diffraction study of dynamically compressed molybdenum. Experiments were conducted using the Omega laser at the Laboratory for Laser Energetics at the University of Rochester. Mo targets were either ramp or shock compressed using a laser drive. In ramp loading, the sample is compressed sufficiently slowly that a shock wave does not form. This results in lower temperatures, keeping the sample in the solid state to higher pressures. X-ray diffraction measurements were performed using quasi-monochromatic x-rays from a highly ionized He-α Cu source and image plate detectors. Upon ramp compression, we found no evidence of phase transition in solid Mo up to 900 GPa. The observed peaks can be assigned to the (110) and (200) or (220) reflections of BCC Mo up to the highest pressure, indicating that Mo does not melt under ramp loading to maximum pressure reached. Under shock loading, we did not observe any evidence for the solid-solid phase transformation around 210 GPa as reported in previous work (Hixson et al, 1989). The BCC

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

    OpenAIRE

    F. H. O’Shea; O. Williams; Andonian, G.; Barber, S; Sakai, Y.; Rosenzweig, J. B.; Pogorelsky, I.; Fedurin, M.; K. Kusche; Yakimenko, V.

    2012-01-01

    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 ...

  13. Understanding Plasticity and Fracture in Aluminum Alloys and their Composites by 3D X-ray Synchrotron Tomography and Microdiffraction

    Science.gov (United States)

    Hruby, Peter

    differential-aperture X-ray structural microscopy (DAXM), from which peak-broadening characteristics were quantified. Plasticity, as determined by the broadening of diffracted peaks, was mapped in 3D. Two-dimensional (2D) maps of plasticity were directly compared to the corresponding tomography slices. A 3D representation of the plastic zone surrounding the fatigue crack was generated by superimposing the mapped plasticity on the 3D crack profile.

  14. 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.

  15. 3D Imaging of Transition Metals in the Zebrafish Embryo by X-ray Fluorescence Microtomography

    Science.gov (United States)

    Bourassa, Daisy; Gleber, Sophie-Charlotte; Vogt, Stefan; Yi, Hong; Will, Fabian; Richter, Heiko; Shin, Chong Hyun; Fahrni, Christoph J.

    2014-01-01

    Synchrotron X-ray fluorescence (SXRF) microtomography has emerged as a powerful technique for the 3D visualization of the elemental distribution in biological samples. The mechanical stability, both of the instrument and the specimen, is paramount when acquiring tomographic projection series. By combining the progressive lowering of temperature method (PLT) with femtosecond laser sectioning, we were able to embed, excise, and preserve a zebrafish embryo at 24 hours post fertilization in an X-ray compatible, transparent resin for tomographic elemental imaging. Based on a data set comprised of 60 projections, acquired with a step size of 2 μm during 100 hours of beam time, we reconstructed the 3D distribution of zinc, iron, and copper using the iterative maximum likelihood expectation maximization (MLEM) reconstruction algorithm. The volumetric elemental maps, which entail over 124 million individual voxels for each transition metal, revealed distinct elemental distributions that could be correlated with characteristic anatomical features at this stage of embryonic development. PMID:24992831

  16. Multiscale 3D characterization with dark-field x-ray microscopy

    DEFF Research Database (Denmark)

    Simons, Hugh; Jakobsen, Anders Clemen; Ahl, Sonja Rosenlund

    2016-01-01

    Dark-field x-ray microscopy is a new way to three-dimensionally map lattice strain and orientation in crystalline matter. It is analogous to dark-field electron microscopy in that an objective lens magnifies diffracting features of the sample; however, the use of high-energy synchrotron x...... of the technique are presented-mapping the evolution of subgrains during the processing of plastically deformed aluminum, mapping domains and strain fields in ferroelectric crystals, and the three-dimensional mapping of strain fields around individual dislocations. This ability to directly characterize complex...

  17. X-ray diffraction analysis of residual stress in zirconia dental composites

    Science.gov (United States)

    Allahkarami, Masoud

    Dental restoration ceramic is a complex system to be characterized. Beside its essential biocompatibility, and pleasant appearance, it requires being mechanically strong in a catastrophic loading environment. Any design is restricted with geometry boundary and material property limits. Inspired by natural teeth, a multilayer ceramic is a smart way of achieving an enhanced restoration. Bi-layers of zirconia core covered by porcelain are known as one of the best multilayer restorations. Residual stresses may be introduced into a bi-layer dental ceramic restoration during its entire manufacturing process due to thermal expansion and elastic property mismatch. It is impossible to achieve a free of residual stresses bi-layer zirconia-porcelain restoration. The idea is to take the advantage of residual stress in design in such a way to prevent the crack initiation and progression. The hypothesis is a compressive residual stress at external contact surface would be enabling the restoration to endure a greater tensile stress. Optimizing the layers thickness, manufacturing process, and validating 3D simulations require development of new techniques of thickness, residual stresses and phase transformation measurement. In the present work, a combined mirco-tomography and finite element based method were adapted for thickness measurement. Two new 2D X-ray diffraction based techniques were adapted for phase transformation area mapping and combined phase transformation and residual stress measurement. Concerning the complex geometry of crown, an efficient method for X-ray diffraction data collection mapping on a given curved surface was developed. Finally a novel method for 3D dimensional x-ray diffraction data collection and visualization were introduced.

  18. Investigation of kidney stones by X-ray diffraction method

    Directory of Open Access Journals (Sweden)

    Muakthong, D.

    2005-01-01

    Full Text Available An investigation of 39 male kidney stone samples and 11 female kidney stone samples obtained from Songklanakarind Hospital, Hat Yai, Songkhla was carried out. Most samples were obtained from patients ages over 40 years. By means of X-ray diffraction (XRD, kidney stones can be classified according to their structure and composition into 3 groups is 1. uric acid (C5H4N4O3 and ammonium acid urate (C5H7N5O3 2. oxalates; whewelite (C2CaO4!H2O CaC2O4!H2O and weddellite (C2CaO4!2H2O 3. phosphates; struvite (NH4MgPO4!6H2O and calcium phosphate hydrate (Ca3(PO42!xH2O. External and internal environments such as occupation, dietary habits, lack of water-drinking etc. are the major factors for kidney stone formation. Results from this study are very useful for the patients to prevent recrystallization of kidney stones by avoiding some elements or some organic compounds which are main components of kidney stones formed in the human urinary system.

  19. 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.

  20. Atomic resolution 3D electron diffraction microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Jianwei; Ohsuna, Tetsu; Terasaki, Osamu; O' Keefe, Michael A.

    2002-03-01

    Electron lens aberration is the major barrier limiting the resolution of electron microscopy. Here we describe a novel form of electron microscopy to overcome electron lens aberration. By combining coherent electron diffraction with the oversampling phasing method, we show that the 3D structure of a 2 x 2 x 2 unit cell nano-crystal (framework of LTA [Al12Si12O48]8) can be ab initio determined at the resolution of 1 Angstrom from a series of simulated noisy diffraction pattern projections with rotation angles ranging from -70 degrees to +70 degrees in 5 degrees increments along a single rotation axis. This form of microscopy (which we call 3D electron diffraction microscopy) does not require any reference waves, and can image the 3D structure of nanocrystals, as well as non-crystalline biological and materials science samples, with the resolution limited only by the quality of sample diffraction.

  1. Combined synchrotron X-ray tomography and X-ray powder diffraction using a fluorescing metal foil.

    Science.gov (United States)

    Kappen, P; Arhatari, B D; Luu, M B; Balaur, E; Caradoc-Davies, T

    2013-06-01

    This study realizes the concept of simultaneous micro-X-ray computed tomography and X-ray powder diffraction using a synchrotron beamline. A thin zinc metal foil was placed in the primary, monochromatic synchrotron beam to generate a divergent wave to propagate through the samples of interest onto a CCD detector for tomographic imaging, thus removing the need for large beam illumination and high spatial resolution detection. Both low density materials (kapton tubing and a piece of plant) and higher density materials (Egyptian faience) were investigated, and elemental contrast was explored for the example of Cu and Ni meshes. The viability of parallel powder diffraction using the direct beam transmitted through the foil was demonstrated. The outcomes of this study enable further development of the technique towards in situ tomography∕diffraction studies combining micrometer and crystallographic length scales, and towards elemental contrast imaging and reconstruction methods using well defined fluorescence outputs from combinations of known fluorescence targets (elements).

  2. 3D-printing of undisturbed soil imaged by X-ray

    Science.gov (United States)

    Bacher, Matthias; Koestel, John; Schwen, Andreas

    2014-05-01

    The unique pore structures in Soils are altered easily by water flow. Each sample has a different morphology and the results of repetitions vary as well. Soil macropores in 3D-printed durable material avoid erosion and have a known morphology. Therefore potential and limitations of reproducing an undisturbed soil sample by 3D-printing was evaluated. We scanned an undisturbed soil column of Ultuna clay soil with a diameter of 7 cm by micro X-ray computer tomography at a resolution of 51 micron. A subsample cube of 2.03 cm length with connected macropores was cut out from this 3D-image and printed in five different materials by a 3D-printing service provider. The materials were ABS, Alumide, High Detail Resin, Polyamide and Prime Grey. The five print-outs of the subsample were tested on their hydraulic conductivity by using the falling head method. The hydrophobicity was tested by an adapted sessile drop method. To determine the morphology of the print-outs and compare it to the real soil also the print-outs were scanned by X-ray. The images were analysed with the open source program ImageJ. The five 3D-image print-outs copied from the subsample of the soil column were compared by means of their macropore network connectivity, porosity, surface volume, tortuosity and skeleton. The comparison of pore morphology between the real soil and the print-outs showed that Polyamide reproduced the soil macropore structure best while Alumide print-out was the least detailed. Only the largest macropore was represented in all five print-outs. Printing residual material or printing aid material remained in and clogged the pores of all print-out materials apart from Prime Grey. Therefore infiltration was blocked in these print-outs and the materials are not suitable even though the 3D-printed pore shapes were well reproduced. All of the investigated materials were insoluble. The sessile drop method showed angles between 53 and 85 degrees. Prime Grey had the fastest flow rate; the

  3. Registration of 3D+t coronary CTA and monoplane 2D+t X-ray angiography.

    Science.gov (United States)

    Metz, Coert T; Schaap, Michiel; Klein, Stefan; Baka, Nora; Neefjes, Lisan A; Schultz, Carl J; Niessen, Wiro J; van Walsum, Theo

    2013-05-01

    A method for registering preoperative 3D+t coronary CTA with intraoperative monoplane 2D+t X-ray angiography images is proposed to improve image guidance during minimally invasive coronary interventions. The method uses a patient-specific dynamic coronary model, which is derived from the CTA scan by centerline extraction and motion estimation. The dynamic coronary model is registered with the 2D+t X-ray sequence, considering multiple X-ray time points concurrently, while taking breathing induced motion into account. Evaluation was performed on 26 datasets of 17 patients by comparing projected model centerlines with manually annotated centerlines in the X-ray images. The proposed 3D+t/2D+t registration method performed better than a 3D/2D registration method with respect to the accuracy and especially the robustness of the registration. Registration with a median error of 1.47 mm was achieved.

  4. The terminal velocity of volcanic particles with shape obtained from 3D X-ray microtomography

    Science.gov (United States)

    Dioguardi, Fabio; Mele, Daniela; Dellino, Pierfrancesco; Dürig, Tobias

    2017-01-01

    New experiments of falling volcanic particles were performed in order to define terminal velocity models applicable in a wide range of Reynolds number Re. Experiments were carried out with fluids of various viscosities and with particles that cover a wide range of size, density and shape. Particle shape, which strongly influences fluid drag, was measured in 3D by High-resolution X-ray microtomography, by which sphericity Φ3D and fractal dimension D3D were obtained. They are easier to measure and less operator dependent than the 2D shape parameters used in previous papers. Drag laws that make use of the new 3D parameters were obtained by fitting particle data to the experiments, and single-equation terminal velocity models were derived. They work well both at high and low Re (3 × 10- 2 < Re < 104), while earlier formulations made use of different equations at different ranges of Re. The new drag laws are well suited for the modelling of particle transportation both in the eruptive column, where coarse and fine particles are present, and also in the distal part of the umbrella region, where fine ash is involved in the large-scale domains of atmospheric circulation. A table of the typical values of Φ3D and D3D of particles from known plinian, subplinian and ash plume eruptions is presented. Graphs of terminal velocity as a function of grain size are finally proposed as tools to help volcanologists and atmosphere scientists to model particle transportation of explosive eruptions.

  5. Accurate 3D kinematic measurement of temporomandibular joint using X-ray fluoroscopic images

    Science.gov (United States)

    Yamazaki, Takaharu; Matsumoto, Akiko; Sugamoto, Kazuomi; Matsumoto, Ken; Kakimoto, Naoya; Yura, Yoshiaki

    2014-04-01

    Accurate measurement and analysis of 3D kinematics of temporomandibular joint (TMJ) is very important for assisting clinical diagnosis and treatment of prosthodontics and orthodontics, and oral surgery. This study presents a new 3D kinematic measurement technique of the TMJ using X-ray fluoroscopic images, which can easily obtain the TMJ kinematic data in natural motion. In vivo kinematics of the TMJ (maxilla and mandibular bone) is determined using a feature-based 2D/3D registration, which uses beads silhouette on fluoroscopic images and 3D surface bone models with beads. The 3D surface models of maxilla and mandibular bone with beads were created from CT scans data of the subject using the mouthpiece with the seven strategically placed beads. In order to validate the accuracy of pose estimation for the maxilla and mandibular bone, computer simulation test was performed using five patterns of synthetic tantalum beads silhouette images. In the clinical applications, dynamic movement during jaw opening and closing was conducted, and the relative pose of the mandibular bone with respect to the maxilla bone was determined. The results of computer simulation test showed that the root mean square errors were sufficiently smaller than 1.0 mm and 1.0 degree. In the results of clinical application, during jaw opening from 0.0 to 36.8 degree of rotation, mandibular condyle exhibited 19.8 mm of anterior sliding relative to maxillary articular fossa, and these measurement values were clinically similar to the previous reports. Consequently, present technique was thought to be suitable for the 3D TMJ kinematic analysis.

  6. Study of liquid gallium as a function of pressure and temperature using synchrotron x-ray microtomography and x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Li, Renfeng [Harbin Institute of Technology, Harbin 150080 (China); GeoSoilEnviroCARS, Center for Advanced Radiation Sources, The University of Chicago, Chicago, Illinois 60637 (United States); Li, Liangliang; Chen, Jiaxuan [Harbin Institute of Technology, Harbin 150080 (China); Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Yu, Tony; Wang, Yanbin; Rivers, Mark L. [GeoSoilEnviroCARS, Center for Advanced Radiation Sources, The University of Chicago, Chicago, Illinois 60637 (United States); Wang, Luhong, E-mail: luhong1@hit.edu.cn, E-mail: haozhe@hit.edu.cn [Harbin Institute of Technology, Harbin 150080 (China); Cai, Zhonghou [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Chen, Jiuhua [Center for High Pressure Science and Technology Advanced Research, Changchun 130015 (China); Center for the Study of Matter at Extreme Conditions, Florida International University, Miami, Florida 33199 (United States); Liu, Haozhe, E-mail: luhong1@hit.edu.cn, E-mail: haozhe@hit.edu.cn [Harbin Institute of Technology, Harbin 150080 (China); Center for High Pressure Science and Technology Advanced Research, Changchun 130015 (China)

    2014-07-28

    The volume change of liquid and solid gallium has been studied as a function of pressure and temperature up to 3.02 GPa at 300 K and up to 3.63 GPa at 330 K using synchrotron x-ray microtomography combined with energy dispersive x-ray diffraction techniques. Two sets of directly measured P-V data at 300 K and 330 K were obtained from 3D tomography reconstruction data, and the corresponding isothermal bulk moduli were determined as 23.6 (0.5) GPa and 24.6 (0.4) GPa, respectively. The existence of a liquid-liquid phase transition region is proposed based on the abnormal compressibility of Ga melt at about 2.44 GPa and 330 K conditions.

  7. Transmission x-ray diffraction of undisturbed soil microfabrics obtained by microdrilling in thin sections

    NARCIS (Netherlands)

    Denaix, L.; Oort, van F.; Pernes, M.; Jongmans, A.G.

    1999-01-01

    Clay mineralogical studies by X-ray diffraction performed on extracted <2-μm fractions do not always represent all clay mineral constituents present in the soil. In this work, transmission X-ray diffraction (TXRD) was applied to undisturbed microsamples of optically homogeneous mineral soil fabrics

  8. A Computer Program for Calculation of Calibration Curves for Quantitative X-Ray Diffraction Analysis.

    Science.gov (United States)

    Blanchard, Frank N.

    1980-01-01

    Describes a FORTRAN IV program written to supplement a laboratory exercise dealing with quantitative x-ray diffraction analysis of mixtures of polycrystalline phases in an introductory course in x-ray diffraction. Gives an example of the use of the program and compares calculated and observed calibration data. (Author/GS)

  9. 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…

  10. 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…

  11. A Computer Program for Calculation of Calibration Curves for Quantitative X-Ray Diffraction Analysis.

    Science.gov (United States)

    Blanchard, Frank N.

    1980-01-01

    Describes a FORTRAN IV program written to supplement a laboratory exercise dealing with quantitative x-ray diffraction analysis of mixtures of polycrystalline phases in an introductory course in x-ray diffraction. Gives an example of the use of the program and compares calculated and observed calibration data. (Author/GS)

  12. Strain measurement of pure titanium covered with soft tissue using X-ray diffraction.

    Science.gov (United States)

    Fujisaki, Kazuhiro; Tadano, Shigeru

    2010-03-01

    Measurement of the stress and strain applied to implants and bone tissue in the human body are important for fracture prediction and evaluations of implant adaptation. The strain of titanium (Ti) materials can be measuring by X-ray diffraction techniques. This study applied X-ray diffraction to the skin tissue-covered Ti. Characteristic X-rays of Mo Kalpha were used and the X-rays diffracted from the Ti were detected through the covering skin tissue. The X-ray absorption by skin tissue is large under the diffracted X-rays detected in low angles because the length of penetration depends on the angle of inclination, equal to the Bragg angle. The effects of skin tissue to detect the diffracted X-rays were investigated in the experiments. And the strain measurements were conducted under bending loads applied to the Ti specimen. The effect of skin tissue was absorption of X-rays as well as the X-rays scattered from the physiological saline contained in the tissue. The X-rays scattered by the physiological saline creates a specific background pattern near the peaks from the (002) and (011) lattice planes of Ti in the X-ray diffraction profile. Diffracted X-rays from the Ti were detected after being transmitted through 1 mm thick skin tissue by Mo Kalpha. Individual peaks such as (010), (002), (011), and (110) were clearly established by using a parallel beam arrangement. The strains of (110) lattice planes were measured with or without the tissue cover were very similar. The strain of the (110) lattice planes of Ti could be measured by Mo Kalpha when the Ti specimen was located under the skin tissue.

  13. X-ray imaging and 3D reconstruction of in-flight exploding foil initiator flyers

    Science.gov (United States)

    Willey, T. M.; Champley, K.; Hodgin, R.; Lauderbach, L.; Bagge-Hansen, M.; May, C.; Sanchez, N.; Jensen, B. J.; Iverson, A.; van Buuren, T.

    2016-06-01

    Exploding foil initiators (EFIs), also known as slapper initiators or detonators, offer clear safety and timing advantages over other means of initiating detonation in high explosives. This work outlines a new capability for imaging and reconstructing three-dimensional images of operating EFIs. Flyer size and intended velocity were chosen based on parameters of the imaging system. The EFI metal plasma and plastic flyer traveling at 2.5 km/s were imaged with short ˜80 ps pulses spaced 153.4 ns apart. A four-camera system acquired 4 images from successive x-ray pulses from each shot. The first frame was prior to bridge burst, the 2nd images the flyer about 0.16 mm above the surface but edges of the foil and/or flyer are still attached to the substrate. The 3rd frame captures the flyer in flight, while the 4th shows a completely detached flyer in a position that is typically beyond where slappers strike initiating explosives. Multiple acquisitions at different incident angles and advanced computed tomography reconstruction algorithms were used to produce a 3-dimensional image of the flyer at 0.16 and 0.53 mm above the surface. Both the x-ray images and the 3D reconstruction show a strong anisotropy in the shape of the flyer and underlying foil parallel vs. perpendicular to the initiating current and electrical contacts. These results provide detailed flyer morphology during the operation of the EFI.

  14. Multi-contrast 3D X-ray imaging of porous and composite materials

    Energy Technology Data Exchange (ETDEWEB)

    Sarapata, Adrian; Herzen, Julia [Lehrstuhl für Biomedizinische Physik, Physik-Department and Institut für Medizintechnik, Technische Universität München, 85748 Garching (Germany); Ruiz-Yaniz, Maite [Lehrstuhl für Biomedizinische Physik, Physik-Department and Institut für Medizintechnik, Technische Universität München, 85748 Garching (Germany); European Synchrotron Radiation Facility, 38000 Grenoble (France); Zanette, Irene [Lehrstuhl für Biomedizinische Physik, Physik-Department and Institut für Medizintechnik, Technische Universität München, 85748 Garching (Germany); Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0QX (United Kingdom); Rack, Alexander [European Synchrotron Radiation Facility, 38000 Grenoble (France); Pfeiffer, Franz [Lehrstuhl für Biomedizinische Physik, Physik-Department and Institut für Medizintechnik, Technische Universität München, 85748 Garching (Germany); Institut für Diagnostische und Interventionelle Radiologie, Klinikum rechts der Isar, Technische Universität München, 81675 München (Germany)

    2015-04-13

    Grating-based X-ray computed tomography allows for simultaneous and nondestructive determination of the full X-ray complex index of refraction and the scattering coefficient distribution inside an object in three dimensions. Its multi-contrast capabilities combined with a high resolution of a few micrometers make it a suitable tool for assessing multiple phases inside porous and composite materials such as concrete. Here, we present quantitative results of a proof-of-principle experiment performed on a concrete sample. Thanks to the complementarity of the contrast channels, more concrete phases could be distinguished than in conventional attenuation-based imaging. The phase-contrast reconstruction shows high contrast between the hardened cement paste and the aggregates and thus allows easy 3D segmentation. Thanks to the dark-field image, micro-cracks inside the coarse aggregates are visible. We believe that these results are extremely interesting in the field of porous and composite materials studies because of unique information provided by grating interferometry in a non-destructive way.

  15. Towards the reconstruction of 3D orientation information from direction-sensitive X-ray projections

    Energy Technology Data Exchange (ETDEWEB)

    Malecki, Andreas; Biernath, Thomas; Bech, Martin; Potdevin, Guillaume; Pfeiffer, Franz [Technische Univ. Muenchen (Germany). Dept. of Physics (E17); Technische Univ. Muenchen (Germany). Inst. of Medical Engineering (IMETUM); Lasser, Tobias [Technische Univ. Muenchen (Germany). Chair for Computer Aided Medical Procedures and Augmented Reality (CAMP)

    2011-07-01

    For medical in vivo applications the resolution of a computed tomography (CT) scan is limited by the acceptable patient received dose. Thus it does not allow to image microstructures in the body. Novel X-ray contrast mechanisms provide two additional signal channels, phase contrast and dark-field contrast. In this study we report on our progress to use the dark-field signal to gain micro-structural information by reconstructing a tensor field describing the local sample scattering power. For that purpose we developed an experimental setup composed of an X-ray tube, a Talbot Lau interferometer, an Euler cradle to orient the sample and a detector. This setup allows a direct measurement of the sample scattering strength in all directions. The reconstruction of several test samples is done using filtered back-projection or the algebraic reconstruction technique. The definition of the physical model behind the reconstructed quantity is obtained from a second ansatz by using 3D density map (micro-CT) data as an input to a computer simulation of the whole setup. We consider this project important for diagnostic improvements in the case of bone pathologies. (orig.)

  16. Combined measurement of X-ray photon correlation spectroscopy and diffracted X-ray tracking using pink beam X-rays.

    Science.gov (United States)

    Shinohara, Yuya; Watanabe, Akira; Kishimoto, Hiroyuki; Amemiya, Yoshiyuki

    2013-09-01

    Combined X-ray photon correlation spectroscopy (XPCS) and diffracted X-ray tracking (DXT) measurements of carbon-black nanocrystals embedded in styrene-butadiene rubber were performed. From the intensity fluctuation of speckle patterns in a small-angle scattering region (XPCS), dynamical information relating to the translational motion can be obtained, and the rotational motion is observed through the changes in the positions of DXT diffraction spots. Graphitized carbon-black nanocrystals in unvulcanized styrene-butadiene rubber showed an apparent discrepancy between their translational and rotational motions; this result seems to support a stress-relaxation model for the origin of super-diffusive particle motion that is widely observed in nanocolloidal systems. Combined measurements using these two techniques will give new insights into nanoscopic dynamics, and will be useful as a microrheology technique.

  17. X-RAY DIFFRACTION STUDY OF A PANCHAVAKTRA RAS

    Directory of Open Access Journals (Sweden)

    B. Srinivasulu*, P. Bhadra Dev, P.H.C. Murthy

    2012-06-01

    Full Text Available Analytical monitoring of Pharmaceutical products is necessary to ensure its safety and efficacy throughout all phases of the drug. A systematic approach should be adapted to the presentation and evaluation of stable information, which should include, as necessary, physical, chemical, biological and microbiological test characteristics. Indian System of Medicine (ISM frequently uses metal/mineral drugs. It is mandatory to standardize the preparatory procedures. For the Pharmaceutical standardization, three batches of the Panchavaktra ras were prepared and analytical study of final product carried out. Panchavaktra ras consist equal parts of Parada (Mercury, Gandhaka (Sulphur, Tankana (Borax Pippali (Piper longum L. and Marica (Piper nigrum L., and Mardhana (Grinding was done carefully with sufficient quantity of juice of Datura metel leaves for 24 hours and a final product was obtained in the form of Vati (tablet form. It is one of the formulations mentioned in Amavata (Rheumatoid Arthritis disease. The final products were subjected to Powder X-Ray Diffraction (XRD studies and values of XRD peaks of particular Panchavaktra ras were observed. This study revealed that high peaks of HgS (Metacinnabar, free S (Sulfur, Chabazite (Ca- exchanged, dehydrated Ca (structure- Rhombohedral in the final products. The structural and chemical characterization of the HgS (Metacinnabar found as cubic, free S (Sulphur as Orthorhombic in all the samples. The 50% strongest peaks of HgS were present at 2-Theta scale between 26-31, 43-44, 51-55, 70-72 degrees. This paper points out the importance of XRD, as a standard tool for further studies and research of Herbo-mineral formulations.

  18. Accurate 3D modeling of Cable in Conduit Conductor type superconductors by X-ray microtomography

    Energy Technology Data Exchange (ETDEWEB)

    Tiseanu, Ion, E-mail: tiseanu@infim.ro [National Institute for Laser, Plasma and Radiation Physics (INFLPR), Bucharest-Magurele (Romania); Zani, Louis [CEA/Cadarache – Institut de Recherche sur la Fusion Magnetique, St Paul-lez-Durance Cedex (France); Tiseanu, Catalin-Stefan [University of Bucharest, Faculty of Mathematics and Computer Science (Romania); Craciunescu, Teddy; Dobrea, Cosmin [National Institute for Laser, Plasma and Radiation Physics (INFLPR), Bucharest-Magurele (Romania)

    2015-10-15

    Graphical abstract: - Highlights: • Quality controls monitoring of Cable in Conduit Conductor (CICC) by X-ray tomography. • High resolution (≈40 μm) X-ray tomography images of CICC section up to 300 mm long. • Assignment of vast majority of strand trajectories over relevant section of CICC. • Non-invasive accurate measurements of local void fraction statistics. - Abstract: Operation and data acquisition of an X-ray microtomography developed at INFLPR are optimized to produce stacks of 2-D high-resolution tomographic sections of Cable in Conduit Conductor (CICC) type superconductors demanded in major fusion projects. High-resolution images for CCIC samples (486 NbTi&Cu strands of 0.81 mm diameter, jacketed in rectangular stainless steel pipes of 22 × 26 mm{sup 2}) are obtained by a combination of high energy/intensity and small focus spot X-ray source and high resolution/efficiency detector array. The stack of reconstructed slices is then used for quantitative analysis consisting of accurate strand positioning, determination of the local and global void fraction and 3D strand trajectory assignment for relevant fragments of cable (∼300 mm). The strand positioning algorithm is based on the application of Gabor Annular filtering followed by local maxima detection. The local void fraction is extensively mapped by employing local segmentation methods at a space resolution of about 50 sub-cells sized to be relevant to the triplet of triplet twisting pattern. For the strand trajectory assignment part we developed a global algorithm of the linear programing type which provides the vast majority of correct strand trajectories for most practical applications. For carefully manufactured benchmark CCIC samples over 99% of the trajectories are correctly assigned. For production samples the efficiency of the algorithm is around 90%. Trajectory assignment of a high proportion of the strands is a crucial factor for the derivation of statistical properties of the cable

  19. Relativistic 3D jet simulations for the X-ray binary SS433

    CERN Document Server

    Monceau-Baroux, Remi; Meliani, Zakaria; Porth, Oliver

    2013-01-01

    Context. Modern high resolution observations allow to view closer into the objects powering relativistic jets. This is especially the case for SS433, an X-ray binary from which a precessing jet is observed down to the sub-parsec scale. Aims. We want to study full 3D dynamics of relativistic jets associated with AGN or XRB. We study the precessing motion of a jet as a model for the jet associated with the XRB SS433. Our study of the jet dynamics in this system focuses on the sub-parsec scales. We investigate the impact of jet precession and the variation of the Lorentz factor of the injected matter on the general 3D jet dynamics and its energy transfer to the surrounding medium. We realize synthetic radio mapping of the data, to compare our results with observations. Methods. For our study we use the code MPI-AMRVAC with SRHD model of a baryonic jet. We use a AMR scheme and an inner time-dependent boundary prescription to inject the jets. Parameters extracted from observations were used. 3D jet realizations th...

  20. Laboratory-based x-ray phase-contrast tomography enables 3D virtual histology

    Science.gov (United States)

    Töpperwien, Mareike; Krenkel, Martin; Quade, Felix; Salditt, Tim

    2016-09-01

    Due to the large penetration depth and small wavelength hard x-rays offer a unique potential for 3D biomedical and biological imaging, combining capabilities of high resolution and large sample volume. However, in classical absorption-based computed tomography, soft tissue only shows a weak contrast, limiting the actual resolution. With the advent of phase-contrast methods, the much stronger phase shift induced by the sample can now be exploited. For high resolution, free space propagation behind the sample is particularly well suited to make the phase shift visible. Contrast formation is based on the self-interference of the transmitted beam, resulting in object-induced intensity modulations in the detector plane. As this method requires a sufficiently high degree of spatial coherence, it was since long perceived as a synchrotron-based imaging technique. In this contribution we show that by combination of high brightness liquid-metal jet microfocus sources and suitable sample preparation techniques, as well as optimized geometry, detection and phase retrieval, excellent three-dimensional image quality can be obtained, revealing the anatomy of a cobweb spider in high detail. This opens up new opportunities for 3D virtual histology of small organisms. Importantly, the image quality is finally augmented to a level accessible to automatic 3D segmentation.

  1. The rotating-crystal method in femtosecond X-ray diffraction.

    Science.gov (United States)

    Freyer, B; Stingl, J; Zamponi, F; Woerner, M; Elsaesser, T

    2011-08-01

    We report the first implementation of the rotating-crystal method in femtosecond X-ray diffraction. Applying a pump-probe scheme with 100 fs hard X-ray probe pulses from a laser-driven plasma source, the novel technique is demonstrated by mapping structural dynamics of a photoexcited bismuth crystal via changes of the diffracted intensity on a multitude of Bragg reflections. The method is compared to femtosecond powder diffraction and to Bragg diffraction from a crystal with stationary orientation.

  2. Synchrotron X-Ray Diffraction Analysis of Meteorites in Thin Section: Preliminary Results

    Science.gov (United States)

    Treiman, A. H.; Lanzirotti, A.; Xirouchakis, D.

    2004-01-01

    X-ray diffraction is the pre-eminent technique for mineral identification and structure determination, but is difficult to apply to grains in thin section, the standard meteorite preparation. Bright focused X-ray beams from synchrotrons have been used extensively in mineralogy and have been applied to extraterrestrial particles. The intensity and small spot size achievable in synchrotron X-ray beams makes them useful for study of materials in thin sections. Here, we describe Synchrotron X-ray Diffraction (SXRD) in thin section as done at the National Synchrotron Light Source, and cite examples of its value for studies of meteorites in thin section.

  3. 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...

  4. When fast atom diffraction turns 3D

    Energy Technology Data Exchange (ETDEWEB)

    Zugarramurdi, Asier; Borisov, Andrei G., E-mail: andrei.borissov@u-psud.fr

    2013-12-15

    Fast atom diffraction at surfaces (FAD) in grazing incidence geometry is characterized by the slow motion in the direction perpendicular to the surface and fast motion parallel to the surface plane along a low index direction. It is established experimentally that for the typical surfaces the FAD reveals the 2D diffraction patterns associated with exchange of the reciprocal lattice vector perpendicular to the direction of fast motion. The reciprocal lattice vector exchange along the direction of fast motion is negligible. The usual approximation made in the description of the experimental data is then to assume that the effective potential leading to the diffraction results from the averaging of the 3D surface potential along the atomic strings forming the axial channel. In this work we use full quantum wave packet propagation calculations to study theoretically the possibility to observe the 3D diffraction in FAD experiments. We show that for the surfaces with large unit cell, such as can be the case for reconstructed or vicinal surfaces, the 3D diffraction can be observed. The reciprocal lattice vector exchange along the direction of fast motion leads to several Laue circles in the diffraction pattern.

  5. Coherent X-Ray Diffraction Imaging of Chloroplasts from Cyanidioschyzon merolae by Using X-Ray Free Electron Laser.

    Science.gov (United States)

    Takayama, Yuki; Inui, Yayoi; Sekiguchi, Yuki; Kobayashi, Amane; Oroguchi, Tomotaka; Yamamoto, Masaki; Matsunaga, Sachihiro; Nakasako, Masayoshi

    2015-07-01

    Coherent X-ray diffraction imaging (CXDI) is a lens-less technique for visualizing the structures of non-crystalline particles with the dimensions of submicrometer to micrometer at a resolution of several tens of nanometers. We conducted cryogenic CXDI experiments at 66 K to visualize the internal structures of frozen-hydrated chloroplasts of Cyanidioschyzon merolae using X-ray free electron laser (XFEL) as a coherent X-ray source. Chloroplast dispersed specimen disks at a number density of 7/(10×10 µm(2)) were flash-cooled with liquid ethane without staining, sectioning or chemical labeling. Chloroplasts are destroyed at atomic level immediately after the diffraction by XFEL pulses. Thus, diffraction patterns with a good signal-to-noise ratio from single chloroplasts were selected from many diffraction patterns collected through scanning specimen disks to provide fresh specimens into the irradiation area. The electron density maps of single chloroplasts projected along the direction of the incident X-ray beam were reconstructed by using the iterative phase-retrieval method and multivariate analyses. The electron density map at a resolution of 70 nm appeared as a C-shape. In addition, the fluorescence image of proteins stained with Flamingo™ dye also appeared as a C-shape as did the autofluorescence from Chl. The similar images suggest that the thylakoid membranes with an abundance of proteins distribute along the outer membranes of chloroplasts. To confirm the present results statistically, a number of projection structures must be accumulated through high-throughput data collection in the near future. Based on the results, we discuss the feasibility of XFEL-CXDI experiments in the structural analyses of cellular organelles. © The Author 2015. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  6. Characterization of nanowires by coherent X-ray diffractive imaging and ptychography

    Energy Technology Data Exchange (ETDEWEB)

    Dzhigaev, Dmitry

    2017-03-15

    Imaging techniques are of paramount importance for our understanding of the universe. From galaxies and stars explored by huge telescopes down to micro and nanostructures studied by microscopes, imaging systems provide invaluable scientific information. When an object under investigation has a size of about 100 nanometers, X-rays become a perfect probe for non-destructive imaging. The manufacturing process of image forming lenses for X-rays becomes much more complicated comparing to optical ones. Therefore, ''lensless'' techniques which rely on the coherent properties of radiation were developed. With third generation of synchrotron sources highly coherent and intense X-ray beams became widely accessible. They are used in new imaging methods such as coherent X-ray diffractive imaging (CXDI) and X-ray ptychography. Modern nanotechnology opens a wide spectrum of possible applications in different branches of physics, chemistry, biology and engineering. At the nanoscale, matter has different physical and chemical properties compared to the macroscale bulk material. The continuing trend of miniaturization of functional components in semiconductor industry brings new challenges both in growth and characterization methods. This Thesis is focused on application of coherent diffractive imaging methods to reveal the structure of single semiconductor nanowires (NWs). They have been attracting significant attention for a couple of decades due to their efficient strain relaxation properties. And since the strain plays a significant role in NW performance the projects carried out in this work are oriented on Bragg CXDI approaches. Three distinct projects were carried out during my research activity at DESY research center of the Helmholtz Association. Experimental work was performed at P06 and P10 beamlines at PETRA III synchrotron. The first part of this Thesis extends the application of the three-dimensional (3D) Bragg CXDI to strain field mapping in a

  7. 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.

  8. 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...... over large number of nanowires. Knowing the precise positions of multiple Bragg peaks in reciprocal space we could calculate the average strain and composition. (ii) In the second technique we used a nanofocused X-ray beam of 100 nm in diameter to measure the local variation of strain and tilt...... grow the nanowires and measure X-ray diraction in real time. We studied the initial stage of pure WZ InAs nanowire growth. By measuring the interference fringes in the scattering signal, raising from the nite length of the NWs it was possible to precisely determine the nanowire length evolution at each...

  9. 3D polymer gel dosimetry and Geant4 Monte Carlo characterization of novel needle based X-ray source

    Science.gov (United States)

    Liu, Y.; Sozontov, E.; Safronov, V.; Gutman, G.; Strumban, E.; Jiang, Q.; Li, S.

    2010-11-01

    In the recent years, there have been a few attempts to develop a low energy x-ray radiation sources alternative to conventional radioisotopes used in brachytherapy. So far, all efforts have been centered around the intent to design an interstitial miniaturized x-ray tube. Though direct irradiation of tumors looks very promising, the known insertable miniature x-ray tubes have many limitations: (a) difficulties with focusing and steering the electron beam to the target; (b)necessity to cool the target to increase x-ray production efficiency; (c)impracticability to reduce the diameter of the miniaturized x-ray tube below 4mm (the requirement to decrease the diameter of the x-ray tube and the need to have a cooling system for the target have are mutually exclusive); (c) significant limitations in changing shape and energy of the emitted radiation. The specific aim of this study is to demonstrate the feasibility of a new concept for an insertable low-energy needle x-ray device based on simulation with Geant4 Monte Carlo code and to measure the dose rate distribution for low energy (17.5 keV) x-ray radiation with the 3D polymer gel dosimetry.

  10. 3D non-destructive fluorescent X-ray computed tomography (FXCT) with a CdTe array

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Chang Yeon; Lee, Won Ho; Kim, Young Hak [Dept. of Bio-convergence Engineering, Korea University Graduate School, Seoul (Korea, Republic of)

    2015-10-15

    In our research, the material was exposed to an X-ray and not only the conventional transmission image but also 3D images based on the information of characteristic X-ray detected by a 2D CdTe planar detector array were reconstructed. Since atoms have their own characteristic X-ray energy, our system was able to discriminate materials of even a same density if the materials were composed of different atomic numbers. We applied FXCT to distinguish various unknown materials with similar densities. The materials with similar densities were clearly distinguished in the 3D reconstructed images based on the information of the detected characteristic X-ray, while they were not discriminated from each other in the images based on the information of the detected transmission X-ray. In the fused images consisting of 3D transmitted and characteristic X-ray images, all of the positions, densities and atomic numbers of materials enclosed in plastic phantom or pipe were clearly identified by analyzing energy, position and amount of detected radiation.

  11. 3D Analysis of Porosity in a Ceramic Coating Using X-ray Microscopy

    Science.gov (United States)

    Klement, Uta; Ekberg, Johanna; Kelly, Stephen T.

    2017-02-01

    Suspension plasma spraying (SPS) is a new, innovative plasma spray technique using a feedstock consisting of fine powder particles suspended in a liquid. Using SPS, ceramic coatings with columnar microstructures have been produced which are used as topcoats in thermal barrier coatings. The microstructure contains a wide pore size range consisting of inter-columnar spacings, micro-pores and nano-pores. Hence, determination of total porosity and pore size distribution is a challenge. Here, x-ray microscopy (XRM) has been applied for describing the complex pore space of the coatings because of its capability to image the (local) porosity within the coating in 3D at a resolution down to 50 nm. The possibility to quantitatively segment the analyzed volume allows analysis of both open and closed porosity. For an yttria-stabilized zirconia coating with feathery microstructure, both open and closed porosity were determined and it could be revealed that 11% of the pore volumes (1.4% of the total volume) are closed pores. The analyzed volume was reconstructed to illustrate the distribution of open and closed pores in 3D. Moreover, pore widths and pore volumes were determined. The results on the complex pore space obtained by XRM are discussed in connection with other porosimetry techniques.

  12. Moving-Article X-Ray Imaging System and Method for 3-D Image Generation

    Science.gov (United States)

    Fernandez, Kenneth R. (Inventor)

    2012-01-01

    An x-ray imaging system and method for a moving article are provided for an article moved along a linear direction of travel while the article is exposed to non-overlapping x-ray beams. A plurality of parallel linear sensor arrays are disposed in the x-ray beams after they pass through the article. More specifically, a first half of the plurality are disposed in a first of the x-ray beams while a second half of the plurality are disposed in a second of the x-ray beams. Each of the parallel linear sensor arrays is oriented perpendicular to the linear direction of travel. Each of the parallel linear sensor arrays in the first half is matched to a corresponding one of the parallel linear sensor arrays in the second half in terms of an angular position in the first of the x-ray beams and the second of the x-ray beams, respectively.

  13. Ptychographic coherent x-ray diffractive imaging in the water window

    OpenAIRE

    Giewekemeyer, K.; Beckers, M.; Gorniak, T.; Grunze, M.; Salditt, T.; Rosenhahn, A.

    2011-01-01

    Coherent x-ray diffractive microscopy enables full reconstruction of the complex transmission function of an isolated object to diffraction-limited resolution without relying on any optical elements between the sample and detector. In combination with ptychography, also specimens of unlimited lateral extension can be imaged. Here we report on an application of ptychographic coherent diffractive imaging (PCDI) in the soft x-ray regime, more precisely in the so-called water wi...

  14. A Bayesian Approach to Surface X-ray Diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Lyman, Paul F.; Saldin, Dilano K.

    2006-11-17

    We report on the development of an iterative method to directly invert surface x-ray diffraction (SXRD) data and thereby provide a map of electron density in the near-surface region of a solid. We have termed this method PARADIGM, which stands for Phase and Amplitude Recovery And Diffraction Image Generation Method. Significant advances in the PARADIGM theory were made during the grant period, and experimental milestones have also been achieved. The two components of the research program worked in concert, each spurring progress in the other. The method works by iteratively recovering the phases of surface scattering factors. Initially, random phases are assigned to the structure factors. After subtracting off the known bulk component, a Fourier transform converts these factors into an estimate of the real-space electron density map. This map is subjected to a support constraint, which holds that the electron density may only be non-zero near the solid surface. The modified electron density is then subjected to an inverse Fourier transform, and the bulk contributions are added back in. This renders an improved estimate of the phases of the surface structure factors. A constraint in reciprocal space is then applied, namely, the amplitudes of the scattering factors are set equal to the experimentally observed ones. This cycle is repeated, transforming between real and reciprocal space and applying constraints in each, until convergence is reached. The result renders a good initial model of the unknown surface structure. Such a direct method is important because conventional structural refinement methods rely on having a guess of the starting structure that sufficiently good that it may be refined into a model with the correct atomic positions. If the starting model has, for example, the wrong number or identity of atoms in the surface unit cell, it can never refine to the correct model. Even in cases where the starting model contains the correct number and identity

  15. X-ray micro diffraction study on mesostructured silica thin films

    CERN Document Server

    Noma, T; Miyata, H; Iida, A

    2001-01-01

    The local structure of highly ordered mesostructured silica films was investigated by using a synchrotron X-ray microbeam and a CCD X-ray detector. Two-dimensional X-ray diffraction patterns clearly showed the detailed arrangement of the mesostructures, in which the hexagonal mesochannels aligned uniaxially in the mesostructured silica films formed on a silica glass substrate with a rubbing-treated thin polyimide coating. The alignment direction was shown to be perpendicular to the rubbing direction. The grazing incidence condition revealed the structural anisotropy of the mesostructures, while normal incidence X-ray diffraction data indicated the in-plane structural uniformity of the films. Extra spots were observed in the diffraction patterns. This suggested that the X-ray beam reflected at the boundary of the mesostructured silica film and the substrate.

  16. 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.

  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. High Resolution X-Ray Diffraction of Macromolecules with Synchrotron Radiation

    Science.gov (United States)

    Stojanoff, Vivian; Boggon, Titus; Helliwell, John R.; Judge, Russell; Olczak, Alex; Snell, Edward H.; Siddons, D. Peter; Rose, M. Franklin (Technical Monitor)

    2000-01-01

    We recently combined synchrotron-based monochromatic X-ray diffraction topography methods with triple axis diffractometry and rocking curve measurements: high resolution X-ray diffraction imaging techniques, to better understand the quality of protein crystals. We discuss these methods in the light of results obtained on crystals grown under different conditions. These non destructive techniques are powerful tools in the characterization of the protein crystals and ultimately will allow to improve, develop, and understand protein crystal growth. High resolution X-ray diffraction imaging methods will be discussed in detail in light of recent results obtained on Hen Egg White Lysozyme crystals and other proteins.

  19. Local terahertz field enhancement for time-resolved x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Kozina, M.; /SLAC; Pancaldi, M.; /CIC nanoGUNE /Stockholm U.; Bernhard, C.; /Fribourg U.; Driel, T.van; Glownia, J.M.; /SLAC; Marsik, P.; /Fribourg U.; Radovic, M.; Vaz, C.A.F.; /PLS, SLS; Zhu, D.; /SLAC; Bonetti, S.; /Stockholm U.; Staub, U.; /PLS, SLS; Hoffmann, M.C.; /SLAC

    2017-02-20

    We report local field strength enhancement of single-cycle terahertz (THz) pulses in an ultrafast time-resolved x-ray diffraction experiment. We show that patterning the sample with gold microstructures increases the THz field without changing the THz pulse shape or drastically affecting the quality of the x-ray diffraction pattern. We find a five-fold increase in THz-induced x-ray diffraction intensity change in the presence of microstructures on a SrTiO3 thin-film sample.

  20. A Furnace for Diffraction Studies using Synchrotron X-Ray Radiation

    DEFF Research Database (Denmark)

    Buras, B.; Lebech, Bente; Kofoed, W.

    1984-01-01

    A furnace for diffraction studies using synchrotron X-ray radiation is described. The furnace can be operated between ambient temperature and 1 800 °C with a temperature stability better than 5 °C for temperatures above 300 °C. Kapton windows allow almost 360° access for the X-ray beam in the hor...

  1. X-ray Diffraction Study of Single-base Propellant Ageing

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Ageing of single-base propellants, extending over a storage period of more than 50 years, was investigated by X-ray diffraction analysis. X-ray degree of crystallinity and interplanar spacing were determined. Analysed was the effect of nitrogen content, degree of substitution (DOS) and diphenylamine (DPA) content on structural changes in propellants.

  2. Femtosecond X-ray diffraction from two-dimensional protein crystals.

    Science.gov (United States)

    Frank, Matthias; Carlson, David B; Hunter, Mark S; Williams, Garth J; Messerschmidt, Marc; Zatsepin, Nadia A; Barty, Anton; Benner, W Henry; Chu, Kaiqin; Graf, Alexander T; Hau-Riege, Stefan P; Kirian, Richard A; Padeste, Celestino; Pardini, Tommaso; Pedrini, Bill; Segelke, Brent; Seibert, M Marvin; Spence, John C H; Tsai, Ching-Ju; Lane, Stephen M; Li, Xiao-Dan; Schertler, Gebhard; Boutet, Sebastien; Coleman, Matthew; Evans, James E

    2014-03-01

    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.

  3. Resolution enhancement in coherent x-ray diffraction imaging by overcoming instrumental noise.

    Science.gov (United States)

    Kim, Chan; Kim, Yoonhee; Song, Changyong; Kim, Sang Soo; Kim, Sunam; Kang, Hyon Chol; Hwu, Yeukuang; Tsuei, Ku-Ding; Liang, Keng San; Noh, Do Young

    2014-11-17

    We report that reference objects, strong scatterers neighboring weak phase objects, enhance the phase retrieval and spatial resolution in coherent x-ray diffraction imaging (CDI). A CDI experiment with Au nano-particles exhibited that the reference objects amplified the signal-to-noise ratio in the diffraction intensity at large diffraction angles, which significantly enhanced the image resolution. The interference between the diffracted x-ray from reference objects and a specimen also improved the retrieval of the phase of the diffraction signal. The enhancement was applied to image NiO nano-particles and a mitochondrion and confirmed in a simulation with a bacteria phantom. We expect that the proposed method will be of great help in imaging weakly scattering soft matters using coherent x-ray sources including x-ray free electron lasers.

  4. Austenite nucleation and growth observed on the level of individual grains by three-dimensional X-ray diffraction microscopy

    OpenAIRE

    Savran, V.I.; Offerman, S. E.; Sietsma, J.

    2010-01-01

    Austenite nucleation and growth is studied during continuous heating using three-dimensional X-ray diffraction (3-D XRD) microscopy at the European Synchrotron Radiation Facility (ESRF) (Grenoble, France). Unique in-situ observations of austenite nucleation and growth kinetics were made for two commercial medium-carbon low-alloy steels (0.21 and 0.35 wt pct carbon with an initial microstructure of ferrite and pearlite). The measured austenite volume fraction as a function of temperature shows...

  5. Visualising, segmenting and analysing heterogenous glacigenic sediments using 3D x-ray CT.

    Science.gov (United States)

    Carr, Simon; Diggens, Lucy; Groves, John; O'Sullivan, Catherine; Marsland, Rhona

    2015-04-01

    Whilst there has been significant application of 3D x-ray CT to geological contexts, much of this work has focused on examining properties such as porosity, which are important in reservoir assessment and hydrological evaluations. There has been considerably less attention given to the analysis of the properties of sediments themselves. One particular challenge in CT analysis is to effectively observe and discriminate the relationships between the skeleton and matrix of a sediment. This is particularly challenging in glacial sediments, which comprise an admixture of particles of a wide range of size, morphology and composition within a variably-consolidated sediment body. A key sedimentological component of glacial sediments is their fabric properties. Till fabric data has long been applied to the analysis of the coupling between glaciers and their deformable substrates. This work has typically focused on identifying former ice-flow directions, processes of till deformation and emplacement, and such data is often used to reconcile the sedimentary evidence of former glaciation with the predicted glacier and ice-sheet dynamics derived from numerical models. The collection and interpretation of till fabric data has received significant criticism in recent years, with issues such as low sample populations (typically ~50 grains per sample), small-scale spatial variation in till fabric and operator bias during data collection, all of which compromise the reliability of macro-scale till fabric analysis. Recent studies of micro-scale till fabrics have substantially added to our understanding, and suggest there is systematic variation in particle fabric as a function of particle size. However, these findings are compromised by the 2D nature of the samples (derived from thin sections) capturing only apparent orientations of particles, and are again limited to relatively small datasets. As such, there are fundamental limitations in the quality and application of till fabric

  6. Artefacts of X-ray area detectors caused by diffraction

    CERN Document Server

    Gollwitzer, Christian

    2013-01-01

    When an X-ray area detector based on a single crystalline material, for instance a state of the art hybrid-pixel detector, is illuminated from a point source by monochromatic radiation, a pattern of lines appears, which overlays the detected image. These lines can easily be found by scattering experiments with smooth patterns such as small angle X-ray scattering. The origin of this effect is Bragg reflection in the absorber of the detector. We present experimental images over a photon energy range from 3.4 keV to 10 keV together with a theoretical analysis. The patterns can be exploited to check the alignment of the detector surface to the direct beam, and of individual detector modules to each other for modular detectors, as well as for energy calibration of the radiation.

  7. Focusing Optics for High-Energy X-ray Diffraction

    DEFF Research Database (Denmark)

    Leinert, U.; Schulze, C.; Honkimäki, V.;

    1998-01-01

    of the different set-ups are described and potential applications are discussed. First experiments were performed, investigating with high spatial resolution the residual strain gradients in layered polycrystalline materials. The results underline that focused high-energy synchrotron radiation can provide unique...... information on the mesoscopic scale to the materials scientist, complementary to existing techniques based on conventional X-ray sources, neutron scattering or electron microscopy....

  8. Characteristic, parametric, and diffracted transition X-ray radiation for observation of accelerated particle beam profile

    Science.gov (United States)

    Chaikovska, I.; Chehab, R.; Artru, X.; Shchagin, A. V.

    2017-07-01

    The applicability of X-ray radiation for the observation of accelerated particle beam profiles is studied. Three types of quasi-monochromatic X-ray radiation excited by the particles in crystals are considered: characteristic X-ray radiation, parametric X-ray radiation, diffracted transition X-ray radiation. Radiation is collected at the right angle to the particle beam direction. It is show that the most intensive differential yield of X-ray radiation from Si crystal can be provided by characteristic radiation at incident electron energies up to tens MeV, by parametric radiation at incident electron energies from tens to hundreds MeV, by diffracted transition X-ray radiation at GeV and multi-GeV electron energies. Therefore these kinds of radiation are proposed for application to beam profile observation in the corresponding energy ranges of incident electrons. Some elements of X-ray optics for observation of the beam profile are discussed. The application of the DTR as a source of powerful tunable monochromatic linearly polarized X-ray beam excited by a multi-GeV electron beam on the crystal surface is proposed.

  9. 3D RECONSTRUCTION FROM MULTI-VIEW MEDICAL X-RAY IMAGES – REVIEW AND EVALUATION OF EXISTING METHODS

    Directory of Open Access Journals (Sweden)

    S. Hosseinian

    2015-12-01

    Full Text Available The 3D concept is extremely important in clinical studies of human body. Accurate 3D models of bony structures are currently required in clinical routine for diagnosis, patient follow-up, surgical planning, computer assisted surgery and biomechanical applications. However, 3D conventional medical imaging techniques such as computed tomography (CT scan and magnetic resonance imaging (MRI have serious limitations such as using in non-weight-bearing positions, costs and high radiation dose(for CT. Therefore, 3D reconstruction methods from biplanar X-ray images have been taken into consideration as reliable alternative methods in order to achieve accurate 3D models with low dose radiation in weight-bearing positions. Different methods have been offered for 3D reconstruction from X-ray images using photogrammetry which should be assessed. In this paper, after demonstrating the principles of 3D reconstruction from X-ray images, different existing methods of 3D reconstruction of bony structures from radiographs are classified and evaluated with various metrics and their advantages and disadvantages are mentioned. Finally, a comparison has been done on the presented methods with respect to several metrics such as accuracy, reconstruction time and their applications. With regards to the research, each method has several advantages and disadvantages which should be considered for a specific application.

  10. Generation of apodized X-ray illumination and its application to scanning and diffraction microscopy.

    Science.gov (United States)

    Khakurel, Krishna P; Kimura, Takashi; Nakamori, Hiroki; Goto, Takumi; Matsuyama, Satoshi; Sasaki, Tomoya; Takei, Masashi; Kohmura, Yoshiki; Ishikawa, Tetsuya; Yamauchi, Kazuto; Nishino, Yoshinori

    2017-01-01

    X-ray science has greatly benefited from the progress in X-ray optics. Advances in the design and the manufacturing techniques of X-ray optics are key to the success of various microscopic and spectroscopic techniques practiced today. Here the generation of apodized X-ray illumination using a two-stage deformable Kirkpatrick-Baez mirror system is presented. Such apodized illumination is marked by the suppression of the side-lobe intensities of the focused beam. Thus generated apodized illumination was employed to improve the image quality in scanning X-ray fluorescence microscopy. Imaging of a non-isolated object by coherent X-ray diffractive imaging with apodized illumination in a non-scanning mode is also presented.

  11. Ultrafast structural dynamics studied by kilohertz time-resolved x-ray diffraction

    Institute of Scientific and Technical Information of China (English)

    郭鑫; 江舟亚; 陈龙; 陈黎明; 辛建国; 陈洁

    2015-01-01

    Ultrashort multi-keV x-ray pulses are generated by electron plasma produced by the irradiation of femtosecond pulses on metals. These sub-picosecond x-ray pulses have extended the field of x-ray spectroscopy into the femtosecond time domain. However, pulse-to-pulse instability and long data acquisition time restrict the application of ultrashort x-ray systems operating at low repetition rates. Here we report on the performance of a femtosecond laser plasma-induced hard x-ray source that operates at 1-kHz repetition rate, and provides a flux of 2.0 × 1010 photons/s of Cu Kα radiation. Using this system for time-resolved x-ray diffraction experiments, we record in real time, the transient processes and structural changes induced by the interaction of 400-nm femtosecond pulse with the surface of a 200-nm thick Au (111) single crystal.

  12. The Rh oxide ultrathin film on Rh(100): an x-ray photoelectron diffraction study.

    Science.gov (United States)

    Zhan, Rong Rong; Vesselli, Erik; Baraldi, Alessandro; Lizzit, Silvano; Comelli, Giovanni

    2010-12-07

    The surface and interface structure of the RhO(2) ultrathin film grown on Rh(100) is investigated by means of x-ray photoelectron diffraction. Experimental and simulated one- and two-dimensional angular distribution intensities of the O1s and Rh3d(5/2) chemically shifted core levels are quantitatively analyzed. The previously proposed O-Rh-O trilayer model is independently confirmed. A rippled buckling of the metal surface is observed at the oxide-metal interface, with a mean interfacial Rh-O distance which is 0.2 Å larger with respect to previous findings. The link between the local atomic rearrangement and the overall geometric and electronic properties of the oxide is discussed on the basis of a thorough comparison with the corresponding RhO(2) rutile structure.

  13. Unified Theory for Decoding the Signals from X-Ray Florescence and X-Ray Diffraction of Mixtures.

    Science.gov (United States)

    Chung, Frank H

    2016-08-23

    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.

  14. Scanning force microscope for in situ nanofocused X-ray diffraction studies

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Zhe, E-mail: zhe.ren@im2np.fr; Mastropietro, Francesca; Davydok, Anton [Aix-Marseille Université, CNRS, Faculté des Sciences, Campus de Saint-Jérôme, Avenue Escadrille Normandie Niemen – Case 142, F-13397 Marseille (France); Langlais, Simon [Grenoble Institute of Technology and CNRS, BP 75, F-38402 Saint-Martin d’Hères Cedex (France); Richard, Marie-Ingrid [Aix-Marseille Université, CNRS, Faculté des Sciences, Campus de Saint-Jérôme, Avenue Escadrille Normandie Niemen – Case 142, F-13397 Marseille (France); European Synchrotron Radiation Facility (ESRF), 6 rue Jules Horowitz, BP 220, 38043 Grenoble (France); Furter, Jean-Jacques; Thomas, Olivier [Aix-Marseille Université, CNRS, Faculté des Sciences, Campus de Saint-Jérôme, Avenue Escadrille Normandie Niemen – Case 142, F-13397 Marseille (France); Dupraz, Maxime; Verdier, Marc; Beutier, Guillaume [Grenoble Institute of Technology and CNRS, BP 75, F-38402 Saint-Martin d’Hères Cedex (France); Boesecke, Peter [European Synchrotron Radiation Facility (ESRF), 6 rue Jules Horowitz, BP 220, 38043 Grenoble (France); Cornelius, Thomas W. [Aix-Marseille Université, CNRS, Faculté des Sciences, Campus de Saint-Jérôme, Avenue Escadrille Normandie Niemen – Case 142, F-13397 Marseille (France)

    2014-08-06

    An atomic force microscope has been developed for combination with sub-micrometer focused X-ray diffraction at synchrotron beamlines and in situ mechanical tests on single nanostructures. A compact scanning force microscope has been developed for in situ combination with nanofocused X-ray diffraction techniques at third-generation synchrotron beamlines. Its capabilities are demonstrated on Au nano-islands grown on a sapphire substrate. The new in situ device allows for in situ imaging the sample topography and the crystallinity by recording simultaneously an atomic force microscope (AFM) image and a scanning X-ray diffraction map of the same area. Moreover, a selected Au island can be mechanically deformed using the AFM tip while monitoring the deformation of the atomic lattice by nanofocused X-ray diffraction. This in situ approach gives access to the mechanical behavior of nanomaterials.

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

    Data.gov (United States)

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

  16. X-Ray Diffraction Powder Patterns and Thin Section Observations from the Sierra Madera Impact Structure

    Science.gov (United States)

    Huson, S. A.; Foit, F. F.; Watkinson, A. J.; Pope, M. C.

    2006-03-01

    X-Ray powder diffraction analysis and thin section observations of carbonate and siliciclastic samples from the Sierra Madera impact structure indicate moderate shock pressures (8 to 30 GPa) were generated during the formation of this crater.

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

    Data.gov (United States)

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

  18. Method for improve x-ray diffraction determinations of residual stress in nickel-base alloys

    Science.gov (United States)

    Berman, Robert M.; Cohen, Isadore

    1990-01-01

    A process for improving the technique of measuring residual stress by x-ray diffraction in pieces of nickel-base alloys which comprises covering part of a predetermined area of the surface of a nickel-base alloy with a dispersion, exposing the covered and uncovered portions of the surface of the alloy to x-rays by way of an x-ray diffractometry apparatus, making x-ray diffraction determinations of the exposed surface, and measuring the residual stress in the alloy based on these determinations. The dispersion is opaque to x-rays and serves a dual purpose since it masks off unsatisfactory signals such that only a small portion of the surface is measured, and it supplies an internal standard by providing diffractogram peaks comparable to the peaks of the nickel alloy so that the alloy peaks can be very accurately located regardless of any sources of error external to the sample.

  19. Method for improving x-ray diffraction determinations of residual stress in nickel-base alloys

    Science.gov (United States)

    Berman, R.M.; Cohen, I.

    1988-04-26

    A process for improving the technique of measuring residual stress by x-ray diffraction in pieces of nickel-base alloys is discussed. Part of a predetermined area of the surface of a nickel-base alloy is covered with a dispersion. This exposes the covered and uncovered portions of the surface of the alloy to x-rays by way of an x-ray diffractometry apparatus, making x-ray diffraction determinations of the exposed surface, and measuring the residual stress in the alloy based on these determinations. The dispersion is opaque to x-rays and serves a dual purpose, since it masks off unsatisfactory signals such that only a small portion of the surface is measured, and it supplies an internal standard by providing diffractogram peaks comparable to the peaks of the nickel alloy so that the alloy peaks can be very accurately located regardless of any sources of error external to the sample. 2 figs.

  20. X-Ray Diffraction Wafer Mapping Method for Rhombohedral Super-Hetero-Epitaxy

    Science.gov (United States)

    Park, Yoonjoon; Choi, Sang Hyouk; King, Glen C.; Elliott, James R.; Dimarcantonio, Albert L.

    2010-01-01

    A new X-ray diffraction (XRD) method is provided to acquire XY mapping of the distribution of single crystals, poly-crystals, and twin defects across an entire wafer of rhombohedral super-hetero-epitaxial semiconductor material. In one embodiment, the method is performed with a point or line X-ray source with an X-ray incidence angle approximating a normal angle close to 90 deg, and in which the beam mask is preferably replaced with a crossed slit. While the wafer moves in the X and Y direction, a narrowly defined X-ray source illuminates the sample and the diffracted X-ray beam is monitored by the detector at a predefined angle. Preferably, the untilted, asymmetric scans are of {440} peaks, for twin defect characterization.

  1. Influence of X-ray Powder Diffraction Instrument Error on Crystalline Structure Analysis

    Institute of Scientific and Technical Information of China (English)

    HUANG Qing-Ming; YU Jian-Chang; WANG Yun-Min; WU Wan-Guo

    2005-01-01

    Standard mica was used to correct the X-ray powder diffraction instrument error and mathematic methods were employed to find the correction equation. By analyzing mullite sample and comparing the corrected and uncorrected analysis results we found the former is obviously more reasonable. So the conclusion is that the X-ray powder diffraction instrument error greatly affects the crystalline structure analysis, and the above method is convenient and effective for the correction of instrument error.

  2. X-ray diffraction characterization of suspended structures forMEMS applications

    Energy Technology Data Exchange (ETDEWEB)

    Goudeau, P.; Tamura, N.; Lavelle, B.; Rigo, S.; Masri, T.; Bosseboeuf, A.; Sarnet, T.; Petit, J.-A.; Desmarres, J.-M.

    2005-09-15

    Mechanical stress control is becoming one of the major challenges for the future of micro and nanotechnologies. Micro scanning X-ray diffraction is one of the promising techniques that allows stress characterization in such complex structures at sub micron scales. Two types of MEMS structure have been studied: a bilayer cantilever composed of a gold film deposited on poly-silicon and a boron doped silicon bridge. X-ray diffraction results are discussed in view of numerical simulation experiments.

  3. A portable X-ray diffraction apparatus for in situ analyses of masters' paintings

    Energy Technology Data Exchange (ETDEWEB)

    Eveno, Myriam; Duran, Adrian; Castaing, Jacques [Palais du Louvre, Laboratoire du Centre de Recherche et de Restauration des Musees de France C2RMF CNRS UMR 171, Paris (France)

    2010-09-15

    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.)

  4. X-ray self-emission imaging used to diagnose 3-D nonuniformities in direct-drive ICF implosions

    Science.gov (United States)

    Davis, A. K.; Michel, D. T.; Craxton, R. S.; Epstein, R.; Hohenberger, M.; Mo, T.; Froula, D. H.

    2016-11-01

    As hydrodynamics codes develop to increase understanding of three-dimensional (3-D) effects in inertial confinement fusion implosions, diagnostics must adapt to evaluate their predictive accuracy. A 3-D radiation postprocessor was developed to investigate the use of soft x-ray self-emission images of an imploding target to measure the size of nonuniformities on the target surface. Synthetic self-emission images calculated from 3-D simulations showed a narrow ring of emission outside the ablation surface of the target. Nonuniformities growing in directions perpendicular to the diagnostic axis were measured through angular variations in the radius of the steepest intensity gradient on the inside of the ring and through changes in the peak x-ray intensity in the ring as a function of angle. The technique was applied to an implosion to measure large 3-D nonuniformities resulting from two dropped laser beam quads at the National Ignition Facility.

  5. 2D-3D shape reconstruction of the distal femur from stereo X-Ray imaging using statistical shape models

    DEFF Research Database (Denmark)

    Baka, N.; Kaptein, B. L.; de Bruijne, Marleen

    2011-01-01

    pose estimation of ground truth shapes as well as 3D shape estimation using a SSM of the whole femur, from stereo cadaver X-rays, in vivo biplane fluoroscopy image-pairs, and an in vivo biplane fluoroscopic sequence. Ground truth shapes for all experiments were available in the form of CT segmentations...

  6. Low kV rotational 3D X-ray imaging for improved CNR of iodine contrast agent

    NARCIS (Netherlands)

    Schaefer, D.; Ahrens, M.; Grass, M.

    2011-01-01

    The contrast of iodine to soft tissue (water) decreases with higher tube voltage in reconstructed 3D X-ray images. Improved acquisition protocols with a tube voltage of about 80 kV for imaging iodine have been proposed earlier for diagnostic CT imaging. We investigate the contrast-to-noise ratio (CN

  7. 3D Nanoscale Chemical Imaging of the Distribution of Aluminum Coordination Environments in Zeolites with Soft X-Ray Microscopy

    NARCIS (Netherlands)

    Aramburo, Luis R.; Liu, Yijin; Tyliszczak, Tolek; de Groot, Frank M. F.; Andrews, Joy C.; Weckhuysen, Bert M.

    2013-01-01

    Here, we present the first nanoscale chemical imaging study revealing the spatial distribution of the amount and coordination environment of aluminum in zeolite materials with 3D scanning transmission X-ray microscopy (STXM). For this purpose, we have focused on two showcase samples involving the in

  8. 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

  9. In Situ Mineralogical Analysis of Planetary Materials Using X-Ray Diffraction and X-Ray Fluorescence

    Science.gov (United States)

    Sarrazin, P.; Blake, D.; Vaniman, D.; Chang, Sherwood (Technical Monitor)

    1996-01-01

    Remote observations of Mars have led scientists to believe that its early climate was similar to that of the early Earth, having had abundant liquid water and a dense atmosphere. One of the most fascinating questions of recent times is whether simple bacterial life developed on Mars (as it did on the Earth) during this early element period. Analyses of SNC meteorites have broadened considerably our knowledge of the chemistry of certain types of Martian rocks, underscoring the tantalizing possibility of early hydrothermal systems and even of ancient bacterial life. Detailed analyses of SNC meteorites in Terrestrial laboratories utilize the most sophisticated organic, isotopic and microscopic techniques in existence. Indeed; it is unlikely that the key biogenic indicators used in McKay et al (ibid) could be identified by a remote instrument on the surface of Mars. As a result, it is probable that any robotic search for evidence of an ancient Martian biosphere will have as its focus the identification of key minerals in likely host rocks rather than the direct detection of organic or isotopic biomarkers. Even on a sample return mission, mineralogical screening will be utilized to choose the most likely candidate rocks. X-ray diffraction (XRD) is the only technique that can provide a direct determination of the crystal structures of the phases present within a sample. When many different crystalline phases are present, quantitative analysis is better constrained if used in conjunction with a determination of elemental composition, obtainable by X-ray fluorescence (XRF) using the same X-ray source as for XRD. For planetary surface analysis, a remote instrument combining XRD and XRF could be used for mineralogical characterization of both soils and rocks. We are designing a remote XRD/XRF instrument with this objective in mind. The instrument concept pays specific attention to constraints in sample preparation, weight, volume, power, etc. Based on the geometry of a

  10. Fully 3D-Integrated Pixel Detectors for X-Rays

    Energy Technology Data Exchange (ETDEWEB)

    Deptuch, Grzegorz W. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Gabriella, Carini [SLAC National Accelerator Lab., Menlo Park, CA (United States); Enquist, Paul [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Grybos, Pawel [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Holm, Scott [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Lipton, Ronald [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Maj, Piotr [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Patti, Robert [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Siddons, David Peter [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Szczygiel, Robert [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Yarema, Raymond [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

    2016-01-01

    The vertically integrated photon imaging chip (VIPIC1) pixel detector is a stack consisting of a 500-μm-thick silicon sensor, a two-tier 34-μm-thick integrated circuit, and a host printed circuit board (PCB). The integrated circuit tiers were bonded using the direct bonding technology with copper, and each tier features 1-μm-diameter through-silicon vias that were used for connections to the sensor on one side, and to the host PCB on the other side. The 80-μm-pixel-pitch sensor was the direct bonding technology with nickel bonded to the integrated circuit. The stack was mounted on the board using Sn–Pb balls placed on a 320-μm pitch, yielding an entirely wire-bond-less structure. The analog front-end features a pulse response peaking at below 250 ns, and the power consumption per pixel is 25 μW. We successful completed the 3-D integration and have reported here. Additionally, all pixels in the matrix of 64 × 64 pixels were responding on well-bonded devices. Correct operation of the sparsified readout, allowing a single 153-ns bunch timing resolution, was confirmed in the tests on a synchrotron beam of 10-keV X-rays. An equivalent noise charge of 36.2 e- rms and a conversion gain of 69.5 μV/e- with 2.6 e- rms and 2.7 μV/e- rms pixel-to-pixel variations, respectively, were measured.

  11. Taking X-ray Diffraction to the Limit: Macromolecular Structures from Femtosecond X-ray Pulses and Diffraction Microscopy of Cells with Synchrotron Radiation

    Energy Technology Data Exchange (ETDEWEB)

    Chapman, H N; Miao, J; Kirz, J; Sayre, D; Hodgson, K O

    2003-10-01

    The methodology of X-ray crystallography has recently been successfully extended to the structure determination of non-crystalline specimens. The phase problem was solved by using the oversampling method, which takes advantage of ''continuous'' diffraction pattern from non-crystalline specimens. Here we review the principle of this newly developed technique and discuss the ongoing experiments of imaging non-periodic objects, like cells and cellular structures using coherent and bright X-rays from the 3rd generation synchrotron radiation. In the longer run, the technique may be applied to image single biomolecules by using the anticipated X-ray free electron lasers. Computer simulations have so far demonstrated two important steps: (1) by using an extremely intense femtosecond X-ray pulse, a diffraction pattern can be recorded from a macromolecule before radiation damage manifests itself, and (2) the phase information can be ab initio retrieved from a set of calculated noisy diffraction patterns of single protein molecules.

  12. Phase Sensitive X-Ray Diffraction Imaging Study of Protein Crystals

    Science.gov (United States)

    Hu, Z. W.

    2003-01-01

    The study of defects and growth of protein crystals is of importance in providing a fundamental understanding of this important category of systems and the rationale for crystallization of better ordered crystals for structural determination and drug design. Yet, as a result of the extremely weak scattering power of x-rays in protein and other biological macromolecular crystals, the extinction lengths for those crystals are extremely large and, roughly speaking, of the order of millimeters on average compared to the scale of micrometers for most small molecular crystals. This has significant implication for x-ray diffraction and imaging study of protein crystals, and presents an interesting challenge to currently available x-ray analytical techniques. We proposed that coherence-based phase sensitive x-ray diffraction imaging could provide a way to augment defect contrast in x-ray diffraction images of weakly diffracting biological macromolecular crystals. I shall examine the principles and ideas behind this approach and compare it to other available x-ray topography and diffraction methods. I shall then present some recent experimental results in two model protein systems-cubic apofemtin and tetragonal lysozyme crystals to demonstrate the capability of the coherence-based imaging method in mapping point defects, dislocations, and the degree of perfection of biological macromolecular crystals with extreme sensitivity. While further work is under way, it is intended to show that the observed new features have yielded important information on protein crystal perfection and nucleation and growth mechanism otherwise unobtainable.

  13. Three-dimensional coherent x-ray diffraction imaging of molten iron in mantle olivine at nanoscale resolution.

    Science.gov (United States)

    Jiang, Huaidong; Xu, Rui; Chen, Chien-Chun; Yang, Wenge; Fan, Jiadong; Tao, Xutang; Song, Changyong; Kohmura, Yoshiki; Xiao, Tiqiao; Wang, Yong; Fei, Yingwei; Ishikawa, Tetsuya; Mao, Wendy L; Miao, Jianwei

    2013-05-17

    We report quantitative 3D coherent x-ray diffraction imaging of a molten Fe-rich alloy and crystalline olivine sample, synthesized at 6 GPa and 1800 °C, with nanoscale resolution. The 3D mass density map is determined and the 3D distribution of the Fe-rich and Fe-S phases in the olivine-Fe-S sample is observed. Our results indicate that the Fe-rich melt exhibits varied 3D shapes and sizes in the olivine matrix. This work has potential for not only improving our understanding of the complex interactions between Fe-rich core-forming melts and mantle silicate phases but also paves the way for quantitative 3D imaging of materials at nanoscale resolution under extreme pressures and temperatures.

  14. Dynamical x-ray diffraction from an icosahedral Al-Pd-Mn quasicrystal

    Energy Technology Data Exchange (ETDEWEB)

    Kycia, S.

    1996-04-23

    Primary extinction effects in diffraction from single grains of Al-Pd- Mn, and presumably many other FCI alloys, may be significant and should be corrected for prior to use of diffraction data in structural determinations. Probes based on dynamical diffraction effects, such as x-ray standing wave fluorescence, multiple beam interference, and x-ray transmission topographs, may now be used to study the bulk and surface structure of some quasicrystals. The observation of dynamical diffraction from icosahedral Al-Pd-Mn is a striking confirmation of the fact that quasicrystals can present a degree of structural perfection comparable to that found in the best periodic intermetallic crystals.

  15. Synthesis, spectral, X-ray diffraction and thermal studies of new ZnII-pyrazine coordination polymers

    Science.gov (United States)

    Marandi, Farzin

    2014-02-01

    Two new zinc(II) coordination polymers with a β-diketone and N-donor ancillary ligands, [Zn(pyz)(ttfa)2]n (1) and [Zn(pyz)(btfa)2]n (2), (Httfa = 2-thenoyltrifluoroacetone, Hbtfa = benzoyltrifluoroacetone and pyz = pyrazine), have been prepared and characterized by elemental analysis, IR, 1H NMR and 13C NMR spectroscopy, and studied by thermal gravimetric analysis as well as single crystal X-ray diffraction. The crystal and molecular structures of 1 and 2 have been solved by X-ray diffraction and they turned out to be one-dimensional polymers with linear dispositions of the metal atoms. These one-dimensional polymers are further connected to form a 3D supramolecular network by CH⋯π (only in 1), CH⋯F, π-π and interesting H⋯H (only in 2) interactions.

  16. 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.

  17. In situ analysis of electrocrystallization process of metal electrodeposition with confocal energy dispersive X-ray diffraction based on polycapillary X-ray optics

    Energy Technology Data Exchange (ETDEWEB)

    Li, Fangzuo; 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); Yang, Chaolin; Sun, Weiyuan; Sun, Xuepeng [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); 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)

    2015-06-11

    The confocal energy dispersive X-ray diffraction (EDXRD) based on a polycapillary focusing X-ray lens (PFXRL) in excitation channel and a polycapillary parallel X-ray lens (PPXRL) in detection channel was presented to study the electrocrystallization process of metal electrodeposition. The input focal spot of the PPXRL and the output focal spot of the PFXRL was adjusted in a confocal configuration, and only the X-rays from the volume overlapped by the two foci could be accordingly detected by the detector. The experimental results demonstrated the confocal EDXRD could be used to in situ real-time analysis of electrochemical crystal growth process.

  18. A cooled avalanche photodiode detector for X-ray magnetic diffraction experiments

    CERN Document Server

    Kishimoto, S; Ito, M

    2001-01-01

    A cooled avalanche photodiode (APD) detector was developed for X-ray magnetic diffraction experiments. A stack of four silicon APDs was cooled down to 243 K by a thermoelectric cooler. The energy widths of 0.89 and 1.55 keV (FWHM) were obtained for 8.05 keV X-rays at 1x10 sup 6 s sup - sup 1 and for 16.53 keV X-rays at 2x10 sup 6 s sup - sup 1 , respectively. Test measurements of X-ray magnetic diffraction were executed using a terbium single crystal and white synchrotron radiation. A peak width of (1 0 3) reflection (5.4 keV) was roughly three times wider than that with a high-purity germanium detector.

  19. A CCD area detector for X-ray diffraction under high pressure for rotating anode source

    Indian Academy of Sciences (India)

    Amar Sinha; Alka B Garg; V Vijayakumar; B K Godwal; S K Sikka

    2000-04-01

    Details of a two-dimensional X-ray area detector developed using a charge coupled device, a image intensifier and a fibre optic taper are given. The detector system is especially optimized for angle dispersive X-ray diffraction set up using rotating anode generator as X-ray source. The performance of this detector was tested by successfully carrying out powder X-ray diffraction measurements on various materials such as intermetallics AuIn2, AuGa2, high material Pd and low scatterer adamantane (C10H16) at ambient conditions. Its utility for quick detection of phase transitions at high pressures with diamond anvil cell is demonstrated by reproducing the known pressure induced structural transitions in RbI, KI and a new structural phase transition in AuGa2 above 10 GPa. Various softwares have also been developed to analyze data from this detector.

  20. X-Ray Diffraction and X-Ray Fluorescent Analyses of Prehistoric Pottery Shards from Ulu Kelantan

    Directory of Open Access Journals (Sweden)

    Zuliskandar Ramli

    2011-01-01

    Full Text Available Problem statement: X-Ray Diffraction (XRD and X-Ray Fluorescent (XRF were used in order to obtain mineralogical and elemental composition of seven pottery shards that have been unearthed during the excavation at Peraling Cave and Cha Cave in Ulu Kelantan, Malaysia. Approach: Peraling Cave and Cha Cave were prehistoric sites dating from 10, 000 BC which were inhabited by Hoabinhian people and then continuously used by people of Neolithic culture around 3000 BC. Results: Mineralogical and elemental analyses were carried out to determine whether the pottery found in the archaeological sites was locally made or trading items. Several clay samples from rivers in Ulu Kelantan such as Perias River, Chai River, Peralon River, Nenggiri River, Betis River and Jenera River were taken to be analysed. Conclusion/Recommendations: Mineralogical and elemental content of the pottery shards showed that the pottery shards did not originate from the Ulu Kelantan area and one of the samples contained clinochlore mineral. Clinochlore forms from the metamorphic and hydrothermal alterations of other iron and magnesium silicate minerals and is usually found in igneus rock and metamorphic rock formation.

  1. X-ray diffraction studies of NbTe2 single crystal

    Indian Academy of Sciences (India)

    Neha Bhatt; Rajiv Vaidya; S G Patel; A R Jani

    2004-02-01

    NbTe2 is a member of transition metal dichalcogenide (TMDC) group. Single crystals of niobium ditelluride (NbTe2) have been grown by a chemical vapour transport technique using iodine as transporting agent. 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 for a number of reflections has been calculated using Scherrer’s formula.

  2. Apparatus for use in examining the lattice of a semiconductor wafer by X-ray diffraction

    Science.gov (United States)

    Parker, D. L.; Porter, W. A. (Inventor)

    1978-01-01

    An improved apparatus for examining the crystal lattice of a semiconductor wafer utilizing X-ray diffraction techniques was presented. The apparatus is employed in a method which includes the step of recording the image of a wafer supported in a bent configuration conforming to a compound curve, produced through the use of a vacuum chuck provided for an X-ray camera. The entire surface thereof is illuminated simultaneously by a beam of incident X-rays which are projected from a distant point-source and satisfy conditions of the Bragg Law for all points on the surface of the water.

  3. 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 (nanocrystalline powders under pressure. We offer a tentative interpretation of the distribution of macro- and micro-strains in nanoparticles of different grain size.

  4. Carbon Fiber Morphology. 2. Expanded Wide-Angle X-Ray Diffraction Studies of Carbon Fibers

    Science.gov (United States)

    1991-02-01

    X- Ray Diffraction," JPS. Polym. Phys. Ed., 16, 939 (1978). 17. Rosalind E. Franklin , "The Structure of Graphitic Carbons," Acta Cryst., 4, 253 (1951...18. Rosalind E. Franklin , "The Interpretation of Diffuse X-ray Diagrams of Carbon," Acta CrL, 3, 107 (1950). 19. K. Jain and A. S. Abhiraman...been generally mentioned much earlier by Franklin [17,18]. Jain and Abhiraman [19] demonstrated that these corrections can make significant differences

  5. Thermal expansion in UO2 determined by high-energy X-ray diffraction

    Science.gov (United States)

    Guthrie, M.; Benmore, C. J.; Skinner, L. B.; Alderman, O. L. G.; Weber, J. K. R.; Parise, J. B.; Williamson, M.

    2016-10-01

    Here we present crystallographic analyses of high-energy X-ray diffraction data on polycrystalline UO2 up to the melting temperature. The Rietveld refinements of our X-ray data are in agreement with previous measurements, but are systematically located around the upper bound of their uncertainty, indicating a slightly steeper trend of thermal expansion compared to established values. This observation is consistent with recent first principles calculations.

  6. Ultrahigh vacuum/high pressure chamber for surface x-ray diffraction experiments

    Science.gov (United States)

    Bernard, P.; Peters, K.; Alvarez, J.; Ferrer, S.

    1999-02-01

    We describe an ultrahigh vacuum chamber that can be internally pressurized to several bars and that is designed to perform surface x-ray diffraction experiments on solid-gas interfaces. The chamber has a cylindrical beryllium window that serves as the entrance and exit for the x rays. The sample surface can be ion bombarded with an ancillary ion gun and annealed to 1200 K.

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

    Science.gov (United States)

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

    2016-05-01

    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.

  8. Chemistry of Metal-organic Frameworks Monitored by Advanced X-ray Diffraction and Scattering Techniques.

    Science.gov (United States)

    Mazaj, Matjaž; Kaučič, Venčeslav; Zabukovec Logar, Nataša

    2016-01-01

    The research on metal-organic frameworks (MOFs) experienced rapid progress in recent years due to their structure diversity and wide range of application opportunities. Continuous progress of X-ray and neutron diffraction methods enables more and more detailed insight into MOF's structural features and significantly contributes to the understanding of their chemistry. Improved instrumentation and data processing in high-resolution X-ray diffraction methods enables the determination of new complex MOF crystal structures in powdered form. By the use of neutron diffraction techniques, a lot of knowledge about the interaction of guest molecules with crystalline framework has been gained in the past few years. Moreover, in-situ time-resolved studies by various diffraction and scattering techniques provided comprehensive information about crystallization kinetics, crystal growth mechanism and structural dynamics triggered by external physical or chemical stimuli. The review emphasizes most relevant advanced structural studies of MOFs based on powder X-ray and neutron scattering.

  9. QUALITATIVE ANALYSIS OF A SERIE OF CEMENT BY X-RAY POWDER DIFFRACTION

    OpenAIRE

    Öztürk Yildirim, Sema; BULMUŞ, Tuğba

    2009-01-01

    Cement is now widely used in every aspect of daily life due to the development of technology and ecological consciousness. In this study, the qualitative analysis of a serie of cement samples were made by using X-ray powder diffraction. The powder diffraction patterns of samples were taken by using copper radiation [λ(CuKα) = 1.54056Å] at room temperature by the RIGAKU type D-MAX 220 model X-ray diffractometer. The data obtained from the powder diffraction patterns was evaluated and the subst...

  10. Nanosecond x-ray Laue diffraction apparatus suitable for laser shock compression experiments.

    Science.gov (United States)

    Suggit, Matthew; Kimminau, Giles; Hawreliak, James; Remington, Bruce; Park, Nigel; Wark, Justin

    2010-08-01

    We have used nanosecond bursts of x-rays emitted from a laser-produced plasma, comprised of a mixture of mid-Z elements, to produce a quasiwhite-light spectrum suitable for performing Laue diffraction from single crystals. The laser-produced plasma emits x-rays ranging in energy from 3 to in excess of 10 keV, and is sufficiently bright for single shot nanosecond diffraction patterns to be recorded. The geometry is suitable for the study of laser-shocked crystals, and single-shot diffraction patterns from both unshocked and shocked silicon crystals are presented.

  11. Twin robotic x-ray system for 2D radiographic and 3D cone-beam CT imaging

    Science.gov (United States)

    Fieselmann, Andreas; Steinbrener, Jan; Jerebko, Anna K.; Voigt, Johannes M.; Scholz, Rosemarie; Ritschl, Ludwig; Mertelmeier, Thomas

    2016-03-01

    In this work, we provide an initial characterization of a novel twin robotic X-ray system. This system is equipped with two motor-driven telescopic arms carrying X-ray tube and flat-panel detector, respectively. 2D radiographs and fluoroscopic image sequences can be obtained from different viewing angles. Projection data for 3D cone-beam CT reconstruction can be acquired during simultaneous movement of the arms along dedicated scanning trajectories. We provide an initial evaluation of the 3D image quality based on phantom scans and clinical images. Furthermore, initial evaluation of patient dose is conducted. The results show that the system delivers high image quality for a range of medical applications. In particular, high spatial resolution enables adequate visualization of bone structures. This system allows 3D X-ray scanning of patients in standing and weight-bearing position. It could enable new 2D/3D imaging workflows in musculoskeletal imaging and improve diagnosis of musculoskeletal disorders.

  12. Radiation damage free two-color X-ray ghost diffraction with atomic resolution

    CERN Document Server

    Li, Zheng; Chapman, Henry; Shih, Yanhua

    2015-01-01

    The X-ray free electron lasers (XFEL) can enable diffractive structural determination of protein crystals or single molecules that are too small and radiation-sensitive for conventional X-ray analysis. However the electronic form factor could have been modified during the ultrashort X-ray pulse due to photoionization and electron cascade caused by the intense X-ray pulse. For general X-ray imaging techniques, to minimize radiation damage effect is of major concern to ensure faithful reconstruction of the structure. Here we show that a radiation damage free diffraction can be achieved with an atomic spatial resolution, by using X-ray parametric down-conversion (PDC), and two-color biphoton ghost imaging. We illustrate that formation of the diffractive patterns satisfies a condition analogous to the Bragg equation, with a resolution that could be as fine as the lattice length scale of several Angstrom. Because the samples are illuminated by the optical photons of low energy, they can be free of radiation damage...

  13. 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 diffr

  14. 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 diffr

  15. Monitoring model drug microencapsulation in PLGA scaffolds using X-ray powder diffraction

    OpenAIRE

    Adeyinka Aina; Manish Gupta; Yamina Boukari; Andrew Morris; Nashiru Billa; Stephen Doughty

    2015-01-01

    The microencapsulation of three model drugs; metronidazole, paracetamol and sulphapyridine into Poly (dl-Lactide-Co-Glycolide) (PLGA) scaffolds were probed using X-ray Powder Diffraction (XRPD). Changes in the diffraction patterns of the PLGA scaffolds after encapsulation was suggestive of a chemical interaction between the pure drugs and the scaffolds and not a physical intermixture.

  16. Monitoring model drug microencapsulation in PLGA scaffolds using X-ray powder diffraction.

    Science.gov (United States)

    Aina, Adeyinka; Gupta, Manish; Boukari, Yamina; Morris, Andrew; Billa, Nashiru; Doughty, Stephen

    2016-03-01

    The microencapsulation of three model drugs; metronidazole, paracetamol and sulphapyridine into Poly (dl-Lactide-Co-Glycolide) (PLGA) scaffolds were probed using X-ray Powder Diffraction (XRPD). Changes in the diffraction patterns of the PLGA scaffolds after encapsulation was suggestive of a chemical interaction between the pure drugs and the scaffolds and not a physical intermixture.

  17. Titration of a Solid Acid Monitored by X-Ray Diffraction

    Science.gov (United States)

    Dungey, Keenan E.; Epstein, Paul

    2007-01-01

    An experiment is described to introduce students to an important class of solid-state reactions while reinforcing concepts of titration by using a pH meter and a powder X-ray diffractometer. The experiment was successful in teaching students the abstract concepts of solid-state structure and diffraction by applying the diffraction concepts learned…

  18. Titration of a Solid Acid Monitored by X-Ray Diffraction

    Science.gov (United States)

    Dungey, Keenan E.; Epstein, Paul

    2007-01-01

    An experiment is described to introduce students to an important class of solid-state reactions while reinforcing concepts of titration by using a pH meter and a powder X-ray diffractometer. The experiment was successful in teaching students the abstract concepts of solid-state structure and diffraction by applying the diffraction concepts learned…

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-06-15

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

  20. High Pressure X-Ray Diffraction Studies of Nanocrystalline Materials

    Science.gov (United States)

    Palosz, B.; Stel'makh, S.; Grzanka, E.; Gierlotka, S.; Palosz, W.

    2004-01-01

    Experimental evidence obtained for a variety of nanocrystalline materials suggest that the crystallographic structure of a very small size particle deviates from that in the bulk crystals. In this paper we show the effect of the surface of nanocrystals on their structure by the analysis of generation and distribution of macro- and micro-strains at high pressures and their dependence on the grain size in nanocrystalline powders of Sic. We studied the structure of Sic nanocrystals by in-situ high-pressure powder diffraction technique using synchrotron and neutron sources and hydrostatic or isostatic pressure conditions. The diffraction measurements were done in HASYLAB at DESY using a Diamond Anvil Cell (DAC) in the energy dispersive geometry in the diffraction vector range up to 3.5 - 4/A and under pressures up to 50 GPa at room temperature. In-situ high pressure neutron diffraction measurements were done at LANSCE in Los Alamos National Laboratory using the HIPD and HIPPO diffractometers with the Paris-Edinburgh and TAP-98 cells, respectively, in the diffraction vector range up to 26 Examination of the response of the material to external stresses requires nonstandard methodology of the materials characterization and description. Although every diffraction pattern contains a complete information on macro- and micro-strains, a high pressure experiment can reveal only those factors which contribute to the characteristic diffraction patterns of the crystalline phases present in the sample. The elastic properties of powders with the grain size from several nm to micrometers were examined using three methodologies: (l), the analysis of positions and widths of individual Bragg reflections (used for calculating macro- and micro-strains generated during densification) [I], (2). the analysis of the dependence of the experimental apparent lattice parameter, alp, on the diffraction vector Q [2], and (3), the atomic Pair Distribution Function (PDF) technique [3]. The results

  1. X-ray diffraction, X-ray photoelectron spectra, crystal structure, and optical properties of centrosymmetric strontium borate Sr2B16O26.

    Science.gov (United States)

    Reshak, Ali Hussain; Auluck, S; Kityk, I V; Chen, Xuean

    2009-07-09

    We report results of X-ray diffraction (XRD) and valence band X- ray photoelectron (VB-XPS) spectra for strontium borate Sr(2)B(16)O(26). The X-ray structural analysis shows that the single crystals of Sr(2)B(16)O(26) crystallize in the monoclinic space group P2(1)/c with a = 8.408(1) A, b = 16.672(1) A, c = 13.901(2) A, beta = 106.33(1) degrees , and Z = 4. The crystal structure consists of a 3D network of the complex borate anion [B(16)O(20)O(12/2)](4-), formed by 12 BO(3) triangles and four BO(4) tetrahedra, which can be viewed as three linked [B(3)O(3)O(4/2)](-) triborate groups bonded to one pentaborate [B(5)O(6)O(4/2)](-) group and two BO(3) triangles. Using this structure, we have performed theoretical calculations using the all-electron full potential linearized augmented plane wave (FP-LAPW) method for the band structure, density of states, electron charge density, and the frequency-dependent optical properties. Our experimental VB-XPS of Sr(2)B(16)O(26) is compared with results of our FP-LAPW calculations. Our calculations show that the valence band maximum (VBM) and conduction band minimum (CBM) are located at Gamma of the Brillouin zone (BZ) resulting in a direct energy gap of about 5.31 eV. Our measured VB-XPS show reasonable agreement with our calculated total density of states for the valence band that is attributed to the use of the full potential method.

  2. X-Ray Diffraction and Imaging Study of Imperfections of Crystallized Lysozyme with Coherent X-Rays

    Science.gov (United States)

    Hu, Zheng-Wei; Chu, Y. S.; Lai, B.; Cai, Z.; Thomas, B. R.; Chernov, A. A.

    2003-01-01

    Phase-sensitive x-ray diffraction imaging and high angular-resolution diffraction combined with phase contrast radiographic imaging are employed to characterize defects and perfection of a uniformly grown tetragonal lysozyme crystal in symmetric Laue case. The fill width at half-maximum (FWHM) of a 4 4 0 rocking curve measured from the original crystal is approximately 16.7 arcseconds, and defects, which include point defects, line defects, and microscopic domains, have been clearly observed in the diffraction images of the crystal. The observed line defects carry distinct dislocation features running approximately along the growth front, and they have been found to originate mostly at a central growth area and occasionally at outer growth regions. Individual point defects trapped at a crystal nucleus are resolved in the images of high sensitivity to defects. Slow dehydration has led to the broadening of the 4 4 0 rocking curve by a factor of approximately 2.4. A significant change of the defect structure and configuration with drying has been revealed, which suggests the dehydration induced migration and evolution of dislocations and lattice rearrangements to reduce overall strain energy. The sufficient details of the observed defects shed light upon perfection, nucleation and growth, and properties of protein crystals.

  3. STXM goes 3D: digital reconstruction of focal stacks as novel approach towards confocal soft x-ray microscopy.

    Science.gov (United States)

    Späth, Andreas; Scho Ll, Simon; Riess, Christian; Schmidtel, Daniel; Paradossi, Gaio; Raabe, Jo Rg; Hornegger, Joachim; Fink, Rainer H

    2014-09-01

    Fresnel zone plate based soft x-ray transmission microspectroscopy has developed into a routine technique for high-resolution elemental or chemical 2D imaging of thin film specimens. The availability of high resolution Fresnel lenses with short depth of focus offers the possibility of optical slicing (in the third dimension) by focus series with resolutions in the submicron regime. We introduce a 3D reconstruction algorithm that uses a variance-based metric to assign a focus measure as basis for volume rendering. The algorithm is applied to simulated geometries and opaque soft matter specimens thus enabling 3D visualization. These studies with z-resolution of few 100nm serve as important step towards the vision of a confocal transmission x-ray microscope.

  4. Analysis of 3D Prints by X-ray Computed Microtomography and Terahertz Pulsed Imaging

    DEFF Research Database (Denmark)

    Markl, Daniel; Zeitler, J Axel; Rasch, Cecilie

    2016-01-01

    PURPOSE: A 3D printer was used to realise compartmental dosage forms containing multiple active pharmaceutical ingredient (API) formulations. This work demonstrates the microstructural characterisation of 3D printed solid dosage forms using X-ray computed microtomography (XμCT) and terahertz pulsed...... imaging (TPI). METHODS: Printing was performed with either polyvinyl alcohol (PVA) or polylactic acid (PLA). The structures were examined by XμCT and TPI. Liquid self-nanoemulsifying drug delivery system (SNEDDS) formulations containing saquinavir and halofantrine were incorporated into the 3D printed...... was characterised by XμCT and TPI on the basis of the computer-aided design (CAD) models of the dosage form (compartmentalised PVA structures were 7.5 ± 0.75% larger than designed; n = 3). CONCLUSIONS: The 3D printer can reproduce specific structures very accurately, whereas the 3D prints can deviate from...

  5. Analysis of 3D Prints by X-ray Computed Microtomography and Terahertz Pulsed Imaging

    DEFF Research Database (Denmark)

    Markl, Daniel; Zeitler, J Axel; Rasch, Cecilie

    2017-01-01

    PURPOSE: A 3D printer was used to realise compartmental dosage forms containing multiple active pharmaceutical ingredient (API) formulations. This work demonstrates the microstructural characterisation of 3D printed solid dosage forms using X-ray computed microtomography (XμCT) and terahertz pulsed...... imaging (TPI). METHODS: Printing was performed with either polyvinyl alcohol (PVA) or polylactic acid (PLA). The structures were examined by XμCT and TPI. Liquid self-nanoemulsifying drug delivery system (SNEDDS) formulations containing saquinavir and halofantrine were incorporated into the 3D printed...... was characterised by XμCT and TPI on the basis of the computer-aided design (CAD) models of the dosage form (compartmentalised PVA structures were 7.5 ± 0.75% larger than designed; n = 3). CONCLUSIONS: The 3D printer can reproduce specific structures very accurately, whereas the 3D prints can deviate from...

  6. Theoretical analysis of the magnetic circular dichroism in the 2p3d and 2p4d x-ray emission of Gd

    NARCIS (Netherlands)

    Groot, F.M.F. de; Nakazawa, M.; Kotani, A.; Krisch, M.H.; Sette, F.

    1997-01-01

    The 2p3d and 2p4d x-ray emission spectral shapes have been calculated using a theoretical description of spin-polarized 2p photoemission and atomic multiplet calculations of the 2p3d and 2p4d radiative decay. Emphasis is given to the use of circular-polarized x rays for the excitation process. Good

  7. 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 (< 30 nm) are discussed. It is shown that due to the complex structure, constituting a two-phase, core/surface shell system, no unique lattice parameter value and, consequently, no unique compressibility coefficient can satisfactorily describe the behavior of nanocrystalline powders under pressure. We offer a tentative interpretation of the distribution of macro- and micro-strains in nanoparticles of different grain size.

  8. Revealing the 3D internal structure of natural polymer microcomposites using X-ray ultra microtomography.

    Science.gov (United States)

    Pakzad, A; Parikh, N; Heiden, P A; Yassar, R S

    2011-07-01

    Properties of composite materials are directly affected by the spatial arrangement of reinforcement and matrix. In this research, partially hydrolysed cellulose microcrystals were used to fabricate polycaprolactone microcomposites. The spatial distribution of cellulose microcrystals was characterized by a newly developed technique of X-ray ultra microscopy and microtomography. The phase and absorption contrast imaging of X-ray ultra microscopy revealed two-dimensional and three-dimensional information on CMC distribution in polymer matrices. The highest contrast and flux (signal-to-noise ratio) were obtained using vanadium foil targets with the accelerating voltage of 30 keV and beam current of >200 nA. The spatial distribution of cellulose microcrystals was correlated to the mechanical properties of the microcomposites. It was observed that heterogeneous distribution and clustering of cellulose microcrystals resulted in degradation of tensile strength and elastic modulus of composites. The utilization of X-ray ultra microscopy can open up new opportunities for composite researchers to explore the internal structure of microcomposites. X-ray ultra microscopy sample preparation is relatively simple in comparison to transmission electron microscopy and the spatial information is gathered at much larger scale.

  9. Development of a CZT spectroscopic 3D imager prototype for hard X ray astronomy

    DEFF Research Database (Denmark)

    Auricchio, N.; Caroli, E.; Basili, A.

    2013-01-01

    The development of focusing optics based on wide band Laue lenses operating from ∼60 keV up to several hundreds of keV is particularly challenging. This type of hard X-ray or gamma ray optics requires a high performance focal plane detector in order to exploit to the best its intrinsic capabiliti...

  10. Grating-based X-ray tomography of 3D food structures

    DEFF Research Database (Denmark)

    Miklos, Rikke; Nielsen, Mikkel Schou; Einarsdottir, Hildur;

    2016-01-01

    A novel grating based X-ray phase-contrast tomographic method has been used to study how partly substitution of meat proteins with two different types of soy proteins affect the structure of the formed protein gel in meat emulsions. The measurements were performed at the Swiss synchrotron radiati...

  11. Note: application of a pixel-array area detector to simultaneous single crystal X-ray diffraction and X-ray absorption spectroscopy measurements.

    Science.gov (United States)

    Sun, Cheng-Jun; Zhang, Bangmin; Brewe, Dale L; Chen, Jing-Sheng; Chow, G M; Venkatesan, T; Heald, Steve M

    2014-04-01

    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 Pr0.67Sr0.33MnO3 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.

  12. 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.

  13. Firing of Clays Studied by X-ray Diffraction and Moessbauer Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Haeusler, W. [Technische Universitaet Muenchen, Physik-Department E15 (Germany)

    2004-06-15

    Three bentonites of varying purity were fired in air under controlled conditions up to 1300{sup o}C in an attempt to provide data for the assessment of firing techniques used in prehistoric pottery making. X-ray diffraction of samples heated at increasing temperatures allows to study the mineral transformations, the breakdown of the clay structure and the formation of new minerals in the high-temperature region. Moessbauer spectroscopy reveals the change of valence state and of the environment of the iron atoms on heating. Non iron-bearing minerals are only accessible by X-ray diffraction, while iron-containing oxidic and amorphous phases may be difficult to detect, due to poor crystallinity and small particle size. The combination of X-ray diffraction and Moessbauer spectroscopy therefore has a considerable potential in the study of the chemical and physical transformations occurring in pottery clays during firing.

  14. Firing of Clays Studied by X-ray Diffraction and Mössbauer Spectroscopy

    Science.gov (United States)

    Häusler, W.

    2004-06-01

    Three bentonites of varying purity were fired in air under controlled conditions up to 1300°C in an attempt to provide data for the assessment of firing techniques used in prehistoric pottery making. X-ray diffraction of samples heated at increasing temperatures allows to study the mineral transformations, the breakdown of the clay structure and the formation of new minerals in the high-temperature region. Mössbauer spectroscopy reveals the change of valence state and of the environment of the iron atoms on heating. Non iron-bearing minerals are only accessible by X-ray diffraction, while iron-containing oxidic and amorphous phases may be difficult to detect, due to poor crystallinity and small particle size. The combination of X-ray diffraction and Mössbauer spectroscopy therefore has a considerable potential in the study of the chemical and physical transformations occurring in pottery clays during firing.

  15. Signal-to-noise and radiation exposure considerations in conventional and diffraction x-ray microscopy.

    Science.gov (United States)

    Huang, Xiaojing; Miao, Huijie; Steinbrener, Jan; Nelson, Johanna; Shapiro, David; Stewart, Andrew; Turner, Joshua; Jacobsen, Chris

    2009-08-03

    Using a signal-to-noise ratio estimation based on correlations between multiple simulated images, we compare the dose efficiency of two soft x-ray imaging systems: incoherent brightfield imaging using zone plate optics in a transmission x-ray microscope (TXM), and x-ray diffraction microscopy (XDM) where an image is reconstructed from the far-field coherent diffraction pattern. In XDM one must computationally phase weak diffraction signals; in TXM one suffers signal losses due to the finite numerical aperture and efficiency of the optics. In simulations with objects representing isolated cells such as yeast, we find that XDM has the potential for delivering equivalent resolution images using fewer photons. This can be an important advantage for studying radiation-sensitive biological and soft matter specimens.

  16. Long-Wavelength X-Ray Diffraction and Its Applications in Macromolecular Crystallography.

    Science.gov (United States)

    Weiss, Manfred S

    2017-01-01

    For many years, diffraction experiments in macromolecular crystallography at X-ray wavelengths longer than that of Cu-K α (1.54 Å) have been largely underappreciated. Effects caused by increased X-ray absorption result in the fact that these experiments are more difficult than the standard diffraction experiments at short wavelengths. However, due to the also increased anomalous scattering of many biologically relevant atoms, important additional structural information can be obtained. This information, in turn, can be used for phase determination, for substructure identification, in molecular replacement approaches, as well as in structure refinement. This chapter reviews the possibilities and the difficulties associated with such experiments, and it provides a short description of two macromolecular crystallography synchrotron beam lines dedicated to long-wavelength X-ray diffraction experiments.

  17. Imaging nanoscale lattice variations by machine learning of x-ray diffraction microscopy data

    Science.gov (United States)

    Laanait, Nouamane; Zhang, Zhan; Schlepütz, Christian M.

    2016-09-01

    We present a novel methodology based on machine learning to extract lattice variations in crystalline materials, at the nanoscale, from an x-ray Bragg diffraction-based imaging technique. By employing a full-field microscopy setup, we capture real space images of materials, with imaging contrast determined solely by the x-ray diffracted signal. The data sets that emanate from this imaging technique are a hybrid of real space information (image spatial support) and reciprocal lattice space information (image contrast), and are intrinsically multidimensional (5D). By a judicious application of established unsupervised machine learning techniques and multivariate analysis to this multidimensional data cube, we show how to extract features that can be ascribed physical interpretations in terms of common structural distortions, such as lattice tilts and dislocation arrays. We demonstrate this ‘big data’ approach to x-ray diffraction microscopy by identifying structural defects present in an epitaxial ferroelectric thin-film of lead zirconate titanate.

  18. 3D nanoscale imaging of biological samples with laboratory-based soft X-ray sources

    Science.gov (United States)

    Dehlinger, Aurélie; Blechschmidt, Anne; Grötzsch, Daniel; Jung, Robert; Kanngießer, Birgit; Seim, Christian; Stiel, Holger

    2015-09-01

    In microscopy, where the theoretical resolution limit depends on the wavelength of the probing light, radiation in the soft X-ray regime can be used to analyze samples that cannot be resolved with visible light microscopes. In the case of soft X-ray microscopy in the water-window, the energy range of the radiation lies between the absorption edges of carbon (at 284 eV, 4.36 nm) and oxygen (543 eV, 2.34 nm). As a result, carbon-based structures, such as biological samples, posses a strong absorption, whereas e.g. water is more transparent to this radiation. Microscopy in the water-window, therefore, allows the structural investigation of aqueous samples with resolutions of a few tens of nanometers and a penetration depth of up to 10μm. The development of highly brilliant laser-produced plasma-sources has enabled the transfer of Xray microscopy, that was formerly bound to synchrotron sources, to the laboratory, which opens the access of this method to a broader scientific community. The Laboratory Transmission X-ray Microscope at the Berlin Laboratory for innovative X-ray technologies (BLiX) runs with a laser produced nitrogen plasma that emits radiation in the soft X-ray regime. The mentioned high penetration depth can be exploited to analyze biological samples in their natural state and with several projection angles. The obtained tomogram is the key to a more precise and global analysis of samples originating from various fields of life science.

  19. 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.)

  20. In-laboratory diffraction-enhanced X-ray imaging for articular cartilage.

    Science.gov (United States)

    Muehleman, Carol; Fogarty, Daniel; Reinhart, Benjamin; Tzvetkov, Tochko; Li, Jun; Nesch, Ivan

    2010-07-01

    The loss of articular cartilage characteristic of osteoarthritis can only be diagnosed by joint space narrowing when conventional radiography is used. This is due to the lack of X-ray contrast of soft tissues. Whereas conventional radiography harnesses the X-ray attenuation properties of tissues, Diffraction Enhanced Imaging (DEI), a novel radiographic technique, allows the visualization of soft tissues simultaneous with calcified tissues by virtue of its ability to not only harness X-ray attenuation but also the X-ray refraction from tissue boundaries. Previously, DEI was dependent upon synchrotron X-rays, but more recently, the development of nonsynchrotron DEI units has been explored. These developments serve to elaborate the full potential of radiography. Here, we tested the potential of an in-laboratory DEI system, called Diffraction-Enhanced X-ray Imaging (DEXI), to render images of articular cartilage displaying varying degrees of degradation, ex vivo. DEXI allowed visualization of even early stages of cartilage degeneration such as surface fibrillation. This may be of eventual clinical significance for the diagnosis of early stages of degeneration, or at the very least, to visualize soft tissue degeneration simultaneous with bone changes.

  1. Nano-structured titanium and aluminium nitride coatings: Study by grazing incidence X-ray diffraction and X-ray absorption and anomalous diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Tuilier, M.-H., E-mail: marie-helene.tuilier@uha.fr [Universite de Haute Alsace (UHA), Laboratoire Physique et Mecanique Textile (LPMT), EA 4365 -conventionnee au CNRS, Equipe PPMR, F-68093 Mulhouse (France); Pac, M.-J. [Universite de Haute Alsace (UHA), Laboratoire Physique et Mecanique Textile (LPMT), EA 4365 - conventionnee au CNRS, Equipe PPMR, F-68093 Mulhouse (France); Anokhin, D.V. [Universite de Haute Alsace (UHA), CNRS, Institut de Science des Materiaux de Mulhouse (IS2M), LRC 7228, F-68093 Mulhouse (France); Moscow State University, Faculty of Fundamental Physical and Chemical Engineering, 119991, Moscow, GSP-1, 1-51 Leninskie Gory (Russian Federation); Ivanov, D.A. [Universite de Haute Alsace (UHA), CNRS, Institut de Science des Materiaux de Mulhouse (IS2M), LRC 7228, F-68093 Mulhouse (France); Rousselot, C. [Universite de Franche-Comte, FEMTO-ST (UMR CNRS 6174), F-25211 Montbeliard (France); Thiaudiere, D. [Synchrotron Soleil, Saint Aubin, F-91192 Gif sur Yvette (France)

    2012-12-30

    Titanium and aluminium nitride thin films, Ti{sub 1-x}Al{sub x}N (x = 0, x = 0.5, x = 0.68), deposited by reactive magnetron sputtering on silicon substrates are investigated by combining two different X-ray diffraction experiments carried out using synchrotron radiation. Grazing-incidence X-ray diffraction and Ti K-edge diffraction anomalous near edge structure spectroscopy provide information on the micro- and nano-structure of the films respectively, which play a crucial role in the functionality of coatings. The spectroscopic data of Ti{sub 0.50}Al{sub 0.50}N film show that Ti atoms in crystallized domains and grain boundaries are all in octahedral cubic local order, but their growth mode is quite different. It is found that the crystallized part of the Ti{sub 0.50}Al{sub 0.50}N film has a single-crystalline nature, whereas the TiN one presents a fibrillar microstructure. For Ti{sub 0.32}Al{sub 0.68}N film, grazing-incidence X-ray diffraction provides information on the uniaxial texture along the [001] direction of the hexagonal lattice. A sharp Ti K pre-edge peak is observed in diffraction anomalous near edge spectrum that definitely shows that Ti atoms are incorporated in the hexagonal lattice of those fibrillar domains. Moreover, the difference observed between Ti K-edge diffraction anomalous and X-ray absorption pre-edge regions proves that a significant part of Ti atoms is located in nanocrystallites with cubic symmetry outside of the crystallized domains. - Highlights: Black-Right-Pointing-Pointer We study nano and micro-structures of TiN, Ti{sub 0.50}Al{sub 0.50}N and Ti{sub 0.32}Al{sub 0.68}N films. Black-Right-Pointing-Pointer Anomalous diffraction solves the crystallized part regardless of grain boundaries. Black-Right-Pointing-Pointer TiN microstructure is fibrillar, Ti{sub 0.5}Al{sub 0.5}N presents single crystalline domains. Black-Right-Pointing-Pointer For Ti{sub 0.32}Al{sub 0.68}N, Ti atoms are located in nanocrystallites with cubic symmetry

  2. Coherent x-ray diffraction imaging of paint pigmentparticles by scanning a phase plate modulator

    Energy Technology Data Exchange (ETDEWEB)

    Chu Y. S.; Chen B.; Zhang F.; Berenguer F.; Bean R.; Kewish C.; Vila-Comamala J.; Rodenburg J.; Robinson I.

    2011-10-19

    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.

  3. 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

  4. 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.

  5. Diffraction crystal for sagittally focusing x-rays

    Science.gov (United States)

    Ice, Gene E.; Sparks, Jr., Cullie J.

    1984-01-01

    The invention is a new type of diffraction crystal designed for sagittally focusing photons of various energies. The invention is based on the discovery that such focusing is not obtainable with conventional crystals because of distortion resulting from anticlastic curvature. The new crystal comprises a monocrystalline base having a front face contoured for sagittally focusing photons and a back face provided with rigid, upstanding, stiffening ribs restricting anticlastic curvature. When mounted in a suitable bending device, the reflecting face of the crystal can be adjusted to focus photons having any one of a range of energies.

  6. Diffraction crystals for sagittally focusing x-rays

    Science.gov (United States)

    Ice, G.E.; Sparks, C.J. Jr.

    1982-06-07

    The invention is a new type of diffraction crystal designed for sagittally focusing photons of various energies. The invention is based on the discovery that such focusing is not obtainable with conventional crystals because of distortion resulting from anticlastic curvature. The new crystal comprises a monocrystalline base having a front face contoured for sagittally focusing photons and a back face provided with rigid, upstanding, stiffening ribs restricting anticlastic curvature. When mounted in a suitable bending device, the reflecting face of the crystal can be adjusted to focus photons having any one of a range of energies.

  7. X-Ray Diffraction Techniques for a Field Instrument: Patterns of Lithologic Provences

    Science.gov (United States)

    Marshall, J.; Keaten, R.

    1999-09-01

    Future exploration of Mars will attempt to shed light on the mineralogy of surface materials. Instruments deployed from remote platforms should have the capability to conduct both intensive analyses as well as rapid, reconnaissance surveys while they function in the martian environment as surrogate geologists. In order to accommodate the reconnaissance mode of analysis and to compensate for analytical limitations imposed by the space-flight conditions, data analysis methods are being developed that will permit interpretation of data by recognition of signatures or "fingerprints". Specifically, we are developing a technique which will allow interpretation of diffraction patterns by recognition of characteristic signatures of different lithologic provences. This technique allows a remote vehicle to function in a rapid-scan mode using the lithologic signature to determine where a more thorough analysis is needed. An x-ray diffraction pattern is characterized by the angular positions of diffracted x-rays, x-ray intensity levels and background radiation levels. These elements may be used to identify a generalized x-ray signature. Lithologic signatures are being developed in two ways. A signature is composed using the ideal powder diffraction indices from the mineral assembledge common to a specific lithologic provence. This is then confirmed using a laboratory diffraction pattern of a whole rock powder. Preliminary results comparing the diffraction signatures of the major mineral assembledges common to basalt, carbonate, and evaporite basin deposits indicate that lithologies are differentiable as a "fingerprint". Statistical analyses are being performed to establish the confidence levels of this technique.

  8. X-Ray Diffraction Techniques for a Field Instrument: Patterns of Lithologic Provences

    Science.gov (United States)

    Marshall, J.; Keaten, R.

    1999-01-01

    Future exploration of Mars will attempt to shed light on the mineralogy of surface materials. Instruments deployed from remote platforms should have the capability to conduct both intensive analyses as well as rapid, reconnaissance surveys while they function in the martian environment as surrogate geologists. In order to accommodate the reconnaissance mode of analysis and to compensate for analytical limitations imposed by the space-flight conditions, data analysis methods are being developed that will permit interpretation of data by recognition of signatures or "fingerprints". Specifically, we are developing a technique which will allow interpretation of diffraction patterns by recognition of characteristic signatures of different lithologic provences. This technique allows a remote vehicle to function in a rapid-scan mode using the lithologic signature to determine where a more thorough analysis is needed. An x-ray diffraction pattern is characterized by the angular positions of diffracted x-rays, x-ray intensity levels and background radiation levels. These elements may be used to identify a generalized x-ray signature. Lithologic signatures are being developed in two ways. A signature is composed using the ideal powder diffraction indices from the mineral assembledge common to a specific lithologic provence. This is then confirmed using a laboratory diffraction pattern of a whole rock powder. Preliminary results comparing the diffraction signatures of the major mineral assembledges common to basalt, carbonate, and evaporite basin deposits indicate that lithologies are differentiable as a "fingerprint". Statistical analyses are being performed to establish the confidence levels of this technique.

  9. Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers

    CERN Document Server

    Stern, Stephan; Filsinger, Frank; Rouzée, Arnaud; Rudenko, Artem; Johnsson, Per; Martin, Andrew V; Barty, Anton; Bostedt, Christoph; Bozek, John D; Coffee, Ryan N; Epp, Sascha; Erk, Benjamin; Foucar, Lutz; Hartmann, Robert; Kimmel, Nils; Kühnel, Kai-Uwe; Maurer, Jochen; Messerschmidt, Marc; Rudek, Benedikt; Starodub, Dmitri G; Thøgersen, Jan; Weidenspointner, Georg; White, Thomas A; Stapelfeldt, Henrik; Rolles, Daniel; Chapman, Henry N; Küpper, Jochen

    2014-01-01

    We give a detailed account of the theoretical analysis and the experimental results of an x-ray-diffraction experiment on quantum-state selected and strongly laser-aligned gas-phase ensembles of the prototypical large asymmetric rotor molecule 2,5-diiodobenzonitrile, performed at the Linac Coherent Light Source [Phys. Rev. Lett. 112, 083002 (2014)]. This experiment is the first step toward coherent diffractive imaging of structures and structural dynamics of isolated molecules at atomic resolution, i. e., picometers and femtoseconds, using x-ray free-electron lasers.

  10. Transmission diffraction-tomography system using a high-energy X-ray tube.

    Science.gov (United States)

    Garrity, D J; Jenneson, P M; Crook, R; Vincent, S M

    2010-01-01

    A high-energy bench-top energy dispersive X-ray diffraction (EDXRD) system for 3-dimensional mapping of the crystalline structure and phase transformations in steel is described, for which preliminary data and system development are presented here. The use of precision tungsten slit screens with up to 225 keV X-rays allows for diffraction through samples of 304 L austenitic stainless steel of thickness 3-10 mm, while sample positioning is carried out with a precision goniometer and translation stage system.

  11. Phase Sensitive X-Ray Diffraction Imaging of Defects in Biological Macromolecular Crystals

    Science.gov (United States)

    Hu, Z. W.; Lai, B.; Chu, Y. S.; Cai, Z.; Mancini, D. C.; Thomas, B. R.; Chernov, A. A.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    Characterization of defects and/or disorder in biological macromolecular crystals presents much greater challenges than in conventional small-molecule crystals. The lack of sufficient contrast of defects is often a limiting factor in x-ray diffraction topography of protein crystals. This has seriously hampered efforts to understand mechanisms and origins of formation of imperfections, and the role of defects as essential entities in the bulk of macromolecular crystals. In this report, we employ a phase sensitive x-ray diffraction imaging approach for augmenting the contrast of defects in protein crystals.

  12. Crystallization and preliminary X-ray diffraction study of porcine carboxypeptidase B

    Energy Technology Data Exchange (ETDEWEB)

    Akparov, V. Kh., E-mail: valery@akparov.ru [Scientific Center of Russian Federation Research Institute for Genetics and Selection of Industrial Microorganisms (Russian Federation); Timofeev, V. I., E-mail: inna@ns.crys.ras.ru; Kuranova, I. P., E-mail: tostars@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2015-05-15

    Crystals of porcine pancreatic carboxypeptidase B have been grown in microgravity by the capillary counter-diffusion method through a gel layer. The X-ray diffraction study showed that the crystals belong to sp. gr. P4{sub 1}2{sub 1}2 and have the following unit-cell parameters: a = b = 79.58 Å, c = 100.51 Å; α = β = γ = 90.00°. The X-ray diffraction data set suitable for the determination of the three-dimensional structure at atomic resolution was collected from one of the grown crystals at the SPring 8 synchrotron facility to 0.98 Å resolution.

  13. Electrochemical cell for in situ x-ray diffraction under ultrapure conditions

    DEFF Research Database (Denmark)

    Koop, T.; Schindler, W.; Kazimirov, A.

    1998-01-01

    An electrochemical cell has been developed for in situ x-ray diffraction from a working electrode under clean conditions equivalent to ultrahigh vacuum conditions of 5 x 10(-10) mbar. The substrate crystals can be prepared ex situ and transferred into the cell under protection of ultrapure water...... of the crystal using a Luggin capillary and a standard reference electrode. We demonstrate the performance of our cell by in situ synchrotron x-ray diffraction measurements on ultrathin Co layers electrodeposited on Cu(001) in an aqueous H(2)SO(4)/CoSO(4) solution. (C) 1998 American Institute of Physics....

  14. Probing the Local Order of Single Phospholipid Membranes Using Grazing Incidence X-Ray Diffraction

    Science.gov (United States)

    Miller, C. E.; Majewski, J.; Watkins, E. B.; Mulder, D. J.; Gog, T.; Kuhl, T. L.

    2008-02-01

    We report the first grazing incidence x-ray diffraction measurements of a single phospholipid bilayer at the solid-liquid interface. Our grazing incidence x-ray diffraction and reflectivity measurements reveal that the lateral ordering in a supported DPPE (1, 2-Dipalmitoyl-sn-Glycero-3-Phosphoethanolamine) bilayer is significantly less than that of an equivalent monolayer at the air-liquid interface. Our findings also indicate that the leaflets of the bilayer are uncoupled in contrast to the scattering from free standing phosphatidylcholine bilayers. The methodology presented can be readily implemented to study more complicated biomembranes and their interaction with proteins.

  15. X-ray fluorescence and energy dispersive x-ray diffraction for the quantification of elemental concentrations in breast tissue.

    Science.gov (United States)

    Geraki, K; Farquharson, M J; Bradley, D A

    2004-01-07

    This paper presents improvements on a previously reported method for the measurement of elements in breast tissue specimens (Geraki et al 2002 Phys. Med. Biol. 47 2327-39). A synchrotron-based system was used for the detection of the x-ray fluorescence (XRF) emitted from iron, copper, zinc and potassium in breast tissue specimens, healthy and cancerous. Calibration models resulting from the irradiation of standard aqueous solutions were used for the quantification of the elements. The present developments concentrate on increasing the convergence between the tissue samples and the calibration models, therefore improving accuracy. For this purpose the composition of the samples in terms of adipose and fibrous tissue was evaluated, using an energy dispersive x-ray diffraction (EDXRD) system. The relationships between the attenuation and scatter properties of the two tissue components and water were determined through Monte Carlo simulations. The results from the simulations and the EDXRD measurements allowed the XRF data from each specimen to be corrected according to its composition. The statistical analysis of the elemental concentrations of the different groups of specimens reveals that all four elements are found in elevated levels in the tumour specimens. The increase is less pronounced for iron and copper and most for potassium and zinc. Other observed features include the substantial degree of inhomogeneity of elemental distributions within the volume of the specimens, varying between 4% and 36% of the mean, depending on the element and the type of the sample. The accuracy of the technique, based on the measurement of a standard reference material, proved to be between 3% and 22% depending on the element, which presents only a marginal improvement (1%-3%) compared to the accuracy of the previously reported results. The measurement precision was between 1% and 9% while the calculated uncertainties on the final elemental concentrations ranged between 10% and 16%.

  16. X-ray diffraction in temporally and spatially resolved biomolecular science.

    Science.gov (United States)

    Helliwell, John R; Brink, Alice; Kaenket, Surasak; Starkey, Victoria Laurina; Tanley, Simon W M

    2015-01-01

    Time-resolved Laue protein crystallography at the European Synchrotron Radiation Facility (ESRF) opened up the field of sub-nanosecond protein crystal structure analyses. There are a limited number of such time-resolved studies in the literature. Why is this? The X-ray laser now gives us femtosecond (fs) duration pulses, typically 10 fs up to ∼50 fs. Their use is attractive for the fastest time-resolved protein crystallography studies. It has been proposed that single molecules could even be studied with the advantage of being able to measure X-ray diffraction from a 'crystal lattice free' single molecule, with or without temporal resolved structural changes. This is altogether very challenging R&D. So as to assist this effort we have undertaken studies of metal clusters that bind to proteins, both 'fresh' and after repeated X-ray irradiation to assess their X-ray-photo-dynamics, namely Ta6Br12, K2PtI6 and K2PtBr6 bound to a test protein, hen egg white lysozyme. These metal complexes have the major advantage of being very recognisable shapes (pseudo spherical or octahedral) and thereby offer a start to (probably very difficult) single molecule electron density map interpretations, both static and dynamic. A further approach is to investigate the X-ray laser beam diffraction strength of a well scattering nano-cluster; an example from nature being the iron containing ferritin. Electron crystallography and single particle electron microscopy imaging offers alternatives to X-ray structural studies; our structural studies of crustacyanin, a 320 kDa protein carotenoid complex, can be extended either by electron based techniques or with the X-ray laser representing a fascinating range of options. General outlook remarks concerning X-ray, electron and neutron macromolecular crystallography as well as 'NMR crystallography' conclude the article.

  17. X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study.

    Science.gov (United States)

    Beukes, J A; Mo, F; van Beek, W

    2007-09-07

    The impact of X-radiation on crystalline taurine has been investigated by time resolved synchrotron X-ray powder and single crystal diffraction and Raman spectroscopy. Multiple data sets have been collected at 120 and 296 K. All the observed effects of radiation, i.e. broadening and shifts of Raman and diffraction lines, a dose dependent irreversible increase in the atomic displacement parameters (ADPs) as well as in one of the unit-cell axes, and an apparent enhancement of electron density in the SO(3) group can be tentatively attributed to primary radical formation predominantly involving the SO(3) group. In secondary reactions molecular species that are distinct from taurine are created in minute quantities, thereby introducing local departure from crystalline order, i.e. enhanced static disorder and a build-up of local strain. Our study provides evidence for ascribing the linear increase in ADPs as well as the expansion of the c axis to the accumulation of foreign species in the crystal, and not to a thermal effect. Once initiated, this process appears to continue also without radiation, however, then at a much reduced rate.

  18. Structural Studies of Matrix Metalloproteinase by X-Ray Diffraction.

    Science.gov (United States)

    Decaneto, Elena; Lubitz, Wolfgang; Ogata, Hideaki

    2017-01-01

    Matrix Metalloproteinases (MMPs) are a family of proteolytic enzymes whose endopeptidase activity is dependent on the presence of specific metal ions. MT1-MMP (or MMP-14), which has been implicated in tumor progression and cellular invasion, contains a membrane-spanning region located C-terminal to a hemopexin-like domain and an N-terminal catalytic domain. We recombinantly expressed the catalytic domain of human MT1-MMP in E. coli and purified it from inclusion bodies using a refolding protocol that yielded significant quantities of active protein. Crystals of MT1-MMP were obtained using the vapour diffusion method. Here, we describe the protocols used for crystallization and the data analysis together with the resulting diffraction pattern.

  19. A 3D reconstruction method of the body envelope from biplanar X-rays: Evaluation of its accuracy and reliability.

    Science.gov (United States)

    Nérot, Agathe; Choisne, Julie; Amabile, Célia; Travert, Christophe; Pillet, Hélène; Wang, Xuguang; Skalli, Wafa

    2015-12-16

    The aim of this study was to propose a novel method for reconstructing the external body envelope from the low dose biplanar X-rays of a person. The 3D body envelope was obtained by deforming a template to match the surface profiles in two X-rays images in three successive steps: global morphing to adopt the position of a person and scale the template׳s body segments, followed by a gross deformation and a fine deformation using two sets of pre-defined control points. To evaluate the method, a biplanar X-ray acquisition was obtained from head to foot for 12 volunteers in a standing posture. Up to 172 radio-opaque skin markers were attached to the body surface and used as reference positions. Each envelope was reconstructed three times by three operators. Results showed a bias lower than 7mm and a confidence interval (95%) of reproducibility lower than 6mm for all body parts, comparable to other existing methods matching a template onto stereographic photographs. The proposed method offers the possibility of reconstructing body shape in addition to the skeleton using a low dose biplanar X-rays system.

  20. XDS: a flexible beamline for X-ray diffraction and spectroscopy at the Brazilian synchrotron.

    Science.gov (United States)

    Lima, F A; Saleta, M E; Pagliuca, R J S; Eleotério, M A; Reis, R D; Fonseca Júnior, J; Meyer, B; Bittar, E M; Souza-Neto, N M; Granado, E

    2016-11-01

    The majority of the beamlines at the Brazilian Synchrotron Light Source Laboratory (LNLS) use radiation produced in the storage-ring bending magnets and are therefore currently limited in the flux that can be used in the harder part of the X-ray spectrum (above ∼10 keV). A 4 T superconducting multipolar wiggler (SCW) was recently installed at LNLS in order to improve the photon flux above 10 keV and fulfill the demands set by the materials science community. A new multi-purpose beamline was then installed at the LNLS using the SCW as a photon source. The XDS is a flexible beamline operating in the energy range between 5 and 30 keV, designed to perform experiments using absorption, diffraction and scattering techniques. Most of the work performed at the XDS beamline concentrates on X-ray absorption spectroscopy at energies above 18 keV and high-resolution diffraction experiments. More recently, new setups and photon-hungry experiments such as total X-ray scattering, X-ray diffraction under high pressures, resonant X-ray emission spectroscopy, among others, have started to become routine at XDS. Here, the XDS beamline characteristics, performance and a few new experimental possibilities are described.

  1. X-ray laser–induced electron dynamics observed by femtosecond diffraction from nanocrystals of Buckminsterfullerene

    Science.gov (United States)

    Abbey, Brian; Dilanian, Ruben A.; Darmanin, Connie; Ryan, Rebecca A.; Putkunz, Corey T.; Martin, Andrew V.; Wood, David; Streltsov, Victor; Jones, Michael W. M.; Gaffney, Naylyn; Hofmann, Felix; Williams, Garth J.; Boutet, Sébastien; Messerschmidt, Marc; Seibert, M. Marvin; Williams, Sophie; Curwood, Evan; Balaur, Eugeniu; Peele, Andrew G.; Nugent, Keith A.; Quiney, Harry M.

    2016-01-01

    X-ray free-electron lasers (XFELs) deliver x-ray pulses with a coherent flux that is approximately eight orders of magnitude greater than that available from a modern third-generation synchrotron source. The power density of an XFEL pulse may be so high that it can modify the electronic properties of a sample on a femtosecond time scale. Exploration of the interaction of intense coherent x-ray pulses and matter is both of intrinsic scientific interest and of critical importance to the interpretation of experiments that probe the structures of materials using high-brightness femtosecond XFEL pulses. We report observations of the diffraction of extremely intense 32-fs nanofocused x-ray pulses by a powder sample of crystalline C60. We find that the diffraction pattern at the highest available incident power significantly differs from the one obtained using either third-generation synchrotron sources or XFEL sources operating at low output power and does not correspond to the diffraction pattern expected from any known phase of crystalline C60. We interpret these data as evidence of a long-range, coherent dynamic electronic distortion that is driven by the interaction of the periodic array of C60 molecular targets with intense x-ray pulses of femtosecond duration. PMID:27626076

  2. High Resolution Triple Axis X-Ray Diffraction Analysis of II-VI Semiconductor Crystals

    Science.gov (United States)

    Volz, H. M.; Matyi, R. J.

    1999-01-01

    The objective of this research program is to develop methods of structural analysis based on high resolution triple axis X-ray diffractometry (HRTXD) and to carry out detailed studies of defect distributions in crystals grown in both microgravity and ground-based environments. HRTXD represents a modification of the widely used double axis X-ray rocking curve method for the characterization of grown-in defects in nearly perfect crystals. In a double axis rocking curve experiment, the sample is illuminated by a monochromatic X-ray beam and the diffracted intensity is recorded by a fixed, wide-open detector. The intensity diffracted by the sample is then monitored as the sample is rotated through the Bragg reflection condition. The breadth of the peak, which is often reported as the full angular width at half the maximum intensity (FWHM), is used as an indicator of the amount of defects in the sample. This work has shown that high resolution triple axis X-ray diffraction is an effective tool for characterizing the defect structure in semiconductor crystals, particularly at high defect densities. Additionally, the technique is complimentary to X-ray topography for defect characterization in crystals.

  3. X-ray laser-induced electron dynamics observed by femtosecond diffraction from nanocrystals of Buckminsterfullerene.

    Science.gov (United States)

    Abbey, Brian; Dilanian, Ruben A; Darmanin, Connie; Ryan, Rebecca A; Putkunz, Corey T; Martin, Andrew V; Wood, David; Streltsov, Victor; Jones, Michael W M; Gaffney, Naylyn; Hofmann, Felix; Williams, Garth J; Boutet, Sébastien; Messerschmidt, Marc; Seibert, M Marvin; Williams, Sophie; Curwood, Evan; Balaur, Eugeniu; Peele, Andrew G; Nugent, Keith A; Quiney, Harry M

    2016-09-01

    X-ray free-electron lasers (XFELs) deliver x-ray pulses with a coherent flux that is approximately eight orders of magnitude greater than that available from a modern third-generation synchrotron source. The power density of an XFEL pulse may be so high that it can modify the electronic properties of a sample on a femtosecond time scale. Exploration of the interaction of intense coherent x-ray pulses and matter is both of intrinsic scientific interest and of critical importance to the interpretation of experiments that probe the structures of materials using high-brightness femtosecond XFEL pulses. We report observations of the diffraction of extremely intense 32-fs nanofocused x-ray pulses by a powder sample of crystalline C60. We find that the diffraction pattern at the highest available incident power significantly differs from the one obtained using either third-generation synchrotron sources or XFEL sources operating at low output power and does not correspond to the diffraction pattern expected from any known phase of crystalline C60. We interpret these data as evidence of a long-range, coherent dynamic electronic distortion that is driven by the interaction of the periodic array of C60 molecular targets with intense x-ray pulses of femtosecond duration.

  4. X-ray topography using the forward transmitted beam under multiple-beam diffraction conditions.

    Science.gov (United States)

    Tsusaka, Y; Takeda, S; Takano, H; Yokoyama, K; Kagoshima, Y; Matsui, J

    2016-02-01

    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(5) cm(-2).

  5. Advanced 3D textile composites reinforcements meso F.E analyses based on X-ray computed tomography

    Science.gov (United States)

    Naouar, Naim; Vidal-Salle, Emmanuelle; Boisse, Philippe

    2016-10-01

    Meso-FE modelling of 3D textile composites is a powerful tool, which can help determine mechanical properties and permeability of the reinforcements or composites. The quality of the meso FE analyses depends on the quality of the initial model. A direct method based on X-ray tomography imaging is introduced to determine finite element models based on the real geometry of 3D composite reinforcements. The method is particularly suitable regarding 3D textile reinforcements for which internal geometries are numerous and complex. The approach used for the separation of the yarns in different directions is specialized because the fibres flow in three-dimensional space. An analysis of the image's texture is performed. A hyperelastic model developed for fibre bundles is used for the simulation of the deformation of the 3D reinforcement.

  6. MULTI-PEAK MATCH INTENSITY RATIO METHOD OF QUANTITATIVE X-RAY DIFFRACTION PHASE ANALYSIS

    Institute of Scientific and Technical Information of China (English)

    G. Chu; Y.F. Cong; H.J. You

    2003-01-01

    A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample by using all diffraction peak data in the mixture sample X-ray diffraction spectrum and combining the relative intensity distribution data of each phase standard peak in JCPDS card to carry on the least square method regression analysis. It is benefit to improve the precision of quantitative phase analysis that the given single line ratio which is usually adopted is taken the place of the multi-peak match intensity ratio and is used in X-ray diffraction quantitative phase analysis of the mixture sample. By analyzing four-group mixture sample, adopting multi-peak match intensity ratio and X-ray diffraction quantitative phase analysis principle of combining the adiabatic and matrix flushing method, it is tested that the experimental results are identical with theory.

  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. 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.

  10. Spectrometer for Hard X-Ray Free Electron Laser Based on Diffraction Focusing

    CERN Document Server

    Kohn, V G; Vartanyants, I A

    2012-01-01

    X-ray free electron lasers (XFELs) generate sequences of ultra-short, spatially coherent pulses of x-ray radiation. We propose the diffraction focusing spectrometer (DFS), which is able to measure the whole energy spectrum of the radiation of a single XFEL pulse with an energy resolution of $\\Delta E/E\\approx 2\\times 10^{-6}$. This is much better than for most modern x-ray spectrometers. Such resolution allows one to resolve the fine spectral structure of the XFEL pulse. The effect of diffraction focusing occurs in a single crystal plate due to dynamical scattering, and is similar to focusing in a Pendry lens made from the metamaterial with a negative refraction index. Such a spectrometer is easier to operate than those based on bent crystals. We show that the DFS can be used in a wide energy range from 5 keV to 20 keV.

  11. 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.

  12. Perspective: Structural dynamics in condensed matter mapped by femtosecond x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Elsaesser, T.; Woerner, M. [Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie, 12489 Berlin (Germany)

    2014-01-14

    Ultrashort soft and hard x-ray pulses are sensitive probes of structural dynamics on the picometer length and femtosecond time scales of electronic and atomic motions. Recent progress in generating such pulses has initiated new directions of condensed matter research, exploiting a variety of x-ray absorption, scattering, and diffraction methods to probe photoinduced structural dynamics. Atomic motion, changes of local structure and long-range order, as well as correlated electron motion and charge transfer have been resolved in space and time, providing a most direct access to the physical mechanisms and interactions driving reversible and irreversible changes of structure. This perspective combines an overview of recent advances in femtosecond x-ray diffraction with a discussion on ongoing and future developments.

  13. 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.

  14. Cryogenic x-ray diffraction microscopy utilizing high-pressure cryopreservation.

    Science.gov (United States)

    Lima, Enju; Chushkin, Yuriy; van der Linden, Peter; Kim, Chae Un; Zontone, Federico; Carpentier, Philippe; Gruner, Sol M; Pernot, Petra

    2014-10-01

    We present cryo x-ray diffraction microscopy of high-pressure-cryofixed bacteria and report high-convergence imaging with multiple image reconstructions. Hydrated D. radiodurans cells were cryofixed at 200 MPa pressure into ∼10-μm-thick water layers and their unstained, hydrated cellular environments were imaged by phasing diffraction patterns, reaching sub-30-nm resolutions with hard x-rays. Comparisons were made with conventional ambient-pressure-cryofixed samples, with respect to both coherent small-angle x-ray scattering and the image reconstruction. The results show a correlation between the level of background ice signal and phasing convergence, suggesting that phasing difficulties with frozen-hydrated specimens may be caused by high-background ice scattering.

  15. Hydrothermal formation of tobermorite studied by in situ X-ray diffraction under autoclave condition.

    Science.gov (United States)

    Kikuma, Jun; Tsunashima, Masamichi; Ishikawa, Tetsuji; Matsuno, Shin-ya; Ogawa, Akihiro; Matsui, Kunio; Sato, Masugu

    2009-09-01

    Hydrothermal formation of tobermorite from a pre-cured cake has been investigated by transmission X-ray diffraction (XRD) using high-energy X-rays from a synchrotron radiation source in combination with a newly designed autoclave cell. The autoclave cell has a large and thin beryllium window for wide-angle X-ray diffraction; nevertheless, it withstands a steam pressure of more than 1.2 MPa, which enables in situ XRD measurements in a temperature range of 373 to 463 K under a saturated steam pressure. Formation and/or decomposition of several components has been successfully observed during 7.5 h of reaction time. From the intensity changes of the intermediate materials, namely non-crystalline C-S-H and hydroxylellestadite, two pathways for tobermorite formation have been confirmed. Thus, the newly developed autoclave cell can be used for the analyses of reaction mechanisms under specific atmospheres and temperatures.

  16. Mineral crystal alignment in mineralized fracture callus determined by 3D small-angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Liu Yifei; Manjubala, Inderchand; Fratzl, Peter [Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, 14424 Potsdam (Germany); Roschger, Paul [4th Medical Department, Ludwig Boltzmann Institute of Osteology at Hanusch Hospital of WGKK and AUVA Trauma Centre Meidling, 1140 Vienna (Austria); Schell, Hanna; Duda, Georg N, E-mail: fratzl@mpikg.mpg.d [Julius Wolff Institut and Center for Musculoskeletal Surgery, Charite- University Medicine Berlin, Augustenburger Platz 1, 13353 Berlin (Germany)

    2010-10-01

    Callus tissue formed during bone fracture healing is a mixture of different tissue types as revealed by histological analysis. But the structural characteristics of mineral crystals within the healing callus are not well known. Since two-dimensional (2D) scanning small-angle X-ray scattering (sSAXS) patterns showed that the size and orientation of callus crystals vary both spatially and temporally [1] and 2D electron microscopic analysis implies an anisotropic property of the callus morphology, the mineral crystals within the callus are also expected to vary in size and orientation in 3D. Three-dimensional small-angle X-ray scattering (3D SAXS), which combines 2D SAXS patterns collected at different angles of sample tilting, has been previously applied to investigate bone minerals in horse radius [2] and oim/oim mouse femur/tibia [3]. We implement a similar 3D SAXS method but with a different way of data analysis to gather information on the mineral alignment in fracture callus. With the proposed accurate yet fast assessment of 3D SAXS information, it was shown that the plate shaped mineral particles in the healing callus were aligned in groups with their predominant orientations occurring as a fiber texture.

  17. Analysis of the KROTOS KFC test by coupling X-Ray image analysis and MC3D calculations

    Energy Technology Data Exchange (ETDEWEB)

    Brayer, C.; Charton, A.; Grishchenko, D.; Fouquart, P.; Bullado, Y.; Compagnon, F.; Correggio, P.; Cassiaut-Louis, N.; Piluso, P. [Commissariat a l' Energie Atomique et Aux Energies Alternatives, CEA Cadarache, DEN, F-13108 Saint-Paul-Les-Durance (France)

    2012-07-01

    During a hypothetical severe accident sequence in a Pressurized Water Reactor (PWR), the hot molten materials (corium) issuing from the degraded reactor core may generate a steam explosion if they come in contact with water and may damage the structures and threaten the reactor integrity. The SERENA program is an international OECD project that aims at helping the understanding of this phenomenon also called Fuel Coolant Interaction (FCI) by providing data. CEA takes part in this program by performing tests in its KROTOS facility where steam explosions using prototypic corium can be triggered. Data about the different phases in the premixing are extracted from the KROTOS X-Ray radioscopy images by using KIWI software (KROTOS Image analysis of Water-corium Interaction) currently developed by CEA. The MC3D code, developed by IRSN, is a thermal-hydraulic multiphase code mainly dedicated to FCI studies. It is composed of two applications: premixing and explosion. An overall FCI calculation with MC3D requires a premixing calculation followed by an explosion calculation. The present paper proposes an alternative approach in which all the features of the premixing are extracted from the X-Ray pictures using the KIWI software and transferred to an MC3D dataset for a direct simulation of the explosion. The main hypothesis are discussed as well as the first explosion results obtained with MC3D for the KROTOS KFC test. These results are rather encouraging and are analyzed on the basis of comparisons with the experimental data. (authors)

  18. High-resolution diffraction microscopy using the plane-wave field of a nearly diffraction limited focused x-ray beam

    OpenAIRE

    Takahashi, Yukio; Nishino, Yoshinori; Tsutsumi, Ryosuke; Kubo, Hideto; Furukawa, Hayato; Mimura, Hidekazu; MATSUYAMA, Satoshi; Zettsu, Nobuyuki; Matsubara, Eiichiro; Ishikawa, Tetsuya; Yamauchi, Kazuto

    2009-01-01

    X-ray waves in the center of the beam waist of nearly diffraction limited focused x-ray beams can be considered to have amplitude and phase that are both almost uniform, i.e., they are x-ray plane waves. Here we report the results of an experimental demonstration of high-resolution diffraction microscopy using the x-ray plane wave of the synchrotron x-ray beam focused using Kirkpatrik-Baez mirrors. A silver nanocube with an edge length of ∼100 nm is illuminated with the x-ray beam focused to ...

  19. Laser-wakefield accelerators as hard x-ray sources for 3D medical imaging of human bone.

    Science.gov (United States)

    Cole, J M; Wood, J C; Lopes, N C; Poder, K; Abel, R L; Alatabi, S; Bryant, J S J; Jin, A; Kneip, S; Mecseki, K; Symes, D R; Mangles, S P D; Najmudin, Z

    2015-08-18

    A bright μm-sized source of hard synchrotron x-rays (critical energy Ecrit > 30 keV) based on the betatron oscillations of laser wakefield accelerated electrons has been developed. The potential of this source for medical imaging was demonstrated by performing micro-computed tomography of a human femoral trabecular bone sample, allowing full 3D reconstruction to a resolution below 50 μm. The use of a 1 cm long wakefield accelerator means that the length of the beamline (excluding the laser) is dominated by the x-ray imaging distances rather than the electron acceleration distances. The source possesses high peak brightness, which allows each image to be recorded with a single exposure and reduces the time required for a full tomographic scan. These properties make this an interesting laboratory source for many tomographic imaging applications.

  20. Laser-wakefield accelerators as hard x-ray sources for 3D medical imaging of human bone

    Science.gov (United States)

    Cole, J. M.; Wood, J. C.; Lopes, N. C.; Poder, K.; Abel, R. L.; Alatabi, S.; Bryant, J. S. J.; Jin, A.; Kneip, S.; Mecseki, K.; Symes, D. R.; Mangles, S. P. D.; Najmudin, Z.

    2015-01-01

    A bright μm-sized source of hard synchrotron x-rays (critical energy Ecrit > 30 keV) based on the betatron oscillations of laser wakefield accelerated electrons has been developed. The potential of this source for medical imaging was demonstrated by performing micro-computed tomography of a human femoral trabecular bone sample, allowing full 3D reconstruction to a resolution below 50 μm. The use of a 1 cm long wakefield accelerator means that the length of the beamline (excluding the laser) is dominated by the x-ray imaging distances rather than the electron acceleration distances. The source possesses high peak brightness, which allows each image to be recorded with a single exposure and reduces the time required for a full tomographic scan. These properties make this an interesting laboratory source for many tomographic imaging applications. PMID:26283308

  1. High-energy X-ray diffraction using the Pixium 4700 flat-panel detector.

    Science.gov (United States)

    Daniels, J E; Drakopoulos, M

    2009-07-01

    The Pixium 4700 detector represents a significant step forward in detector technology for high-energy X-ray diffraction. The detector design is based on digital flat-panel technology, combining an amorphous Si panel with a CsI scintillator. The detector has a useful pixel array of 1910 x 2480 pixels with a pixel size of 154 microm x 154 microm, and thus it covers an effective area of 294 mm x 379 mm. Designed for medical imaging, the detector has good efficiency at high X-ray energies. Furthermore, it is capable of acquiring sequences of images at 7.5 frames per second in full image mode, and up to 60 frames per second in binned region of interest modes. Here, the basic properties of this detector applied to high-energy X-ray diffraction are presented. Quantitative comparisons with a widespread high-energy detector, the MAR345 image plate scanner, are shown. Other properties of the Pixium 4700 detector, including a narrow point-spread function and distortion-free image, allows for the acquisition of high-quality diffraction data at high X-ray energies. In addition, high frame rates and shutterless operation open new experimental possibilities. Also provided are the necessary data for the correction of images collected using the Pixium 4700 for diffraction purposes.

  2. Crystallization and preliminary X-ray diffraction of malate dehydrogenase from Plasmodium falciparum

    NARCIS (Netherlands)

    Wrenger, Carsten; Mueller, Ingrid B.; Butzloff, Sabine; Jordanova, Rositsa; Lunev, Sergey; Groves, Matthew R.

    2012-01-01

    The expression, purification, crystallization and preliminary X-ray diffraction characterization of malate dehydrogenase (MDH) from the malarial parasite Plasmodium falciparum (PfMDH) are reported. In order to gain a deeper understanding of the function and role of PfMDH, the protein was purified to

  3. Simultaneous X-ray diffraction from multiple single crystals of macromolecules

    DEFF Research Database (Denmark)

    Paithankar, Karthik S.; Sørensen, Henning Osholm; Wright, Jonathan P.

    2011-01-01

    The potential in macromolecular crystallography for using multiple crystals to collect X-ray diffraction data simultaneously from assemblies of up to seven crystals is explored. The basic features of the algorithms used to extract data and their practical implementation are described. The procedu...

  4. Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers

    DEFF Research Database (Denmark)

    Stern, Stephan; Holmegaard, Lotte; Filsinger, Frank

    2014-01-01

    We give a detailed account of the theoretical analysis and the experimental results of an x-ray-diffraction experiment on quantum-state selected and strongly laser-aligned gas-phase ensembles of the prototypical large asymmetric rotor molecule 2,5-diiodobenzonitrile, performed at the Linac Cohere...

  5. High pressure behaviour of TbN: an X-ray diffraction and computational study

    DEFF Research Database (Denmark)

    Jakobsen, J.M.; Madsen, G.K.H.; Jorgensen, J.E.;

    2002-01-01

    In the present work, we report an X-ray powder diffraction study of TbN up to an applied hydrostatic pressure of 43 GPa. TbN was found to be stable in the 131 (NaCl structure) within the examined pressure interval, and the zero pressure bulk modulus was determined to be 176(7) GPa. The electronic...

  6. Determination of the Cu(110)-c(6X2)-O structure by x-ray diffraction

    DEFF Research Database (Denmark)

    Feidenhans'l, R.; Grey, F.; Johnson, R.L.

    1991-01-01

    We have performed a structural determination of the Cu(110)-c(6 X 2)-O surface by x-ray diffraction. A model including only copper atoms is found on the basis of the Patterson function; the positions of the oxygen atoms are revealed in an electron-density-difference map. The final structure has a...

  7. X-ray diffraction results from mars science laboratory: Mineralogy of rocknest at Gale crater

    NARCIS (Netherlands)

    Bish, D.L.; Blake, D.F.; Vaniman, D.T.; Chipera, S.J.; Morris, R.V.; Ming, D.W.; Treiman, A.H.; Sarrazin, P.; Morrison, S.M.; Downs, R.T.; Achilles, C.N.; Yen, A.S.; Bristow, T.F.; Crisp, J.A.; Morookian, J.M.; Farmer, J.D.; Rampe, E.B.; Stolper, E.M.; Spanovich, N.; MSL Science Team, the

    2013-01-01

    The Mars Science Laboratory rover Curiosity scooped samples of soil from the Rocknest aeolian bedform in Gale crater. Analysis of the soil with the Chemistry and Mineralogy (CheMin) x-ray diffraction (XRD) instrument revealed plagioclase (~An57), forsteritic olivine (~Fo62), augite, and pigeonite, w

  8. Monolayers of CF4 Adsorbed on Graphite, Studied by Synchrotron X-Ray Diffraction

    DEFF Research Database (Denmark)

    Kjær, Kristian; Nielsen, Mourits; Bohr, Jakob;

    1982-01-01

    With synchrotron x-ray diffraction we have measured the phase diagram of CF4 monolayers adsorbed on the graphite substrate UCAR-ZYX. We have found four two-dimensional crystalline phases including the 2×2 commensurate structure. Between this and the denser incommensurate hexagonal phase we find...

  9. A-DNA and B-DNA: Comparing Their Historical X-Ray Fiber Diffraction Images

    Science.gov (United States)

    Lucas, Amand A.

    2008-01-01

    A-DNA and B-DNA are two secondary molecular conformations (among other allomorphs) that double-stranded DNA drawn into a fiber can assume, depending on the relative water content and other chemical parameters of the fiber. They were the first two forms to be observed by X-ray fiber diffraction in the early 1950s, respectively by Wilkins and…

  10. A three-dimensional X-ray diffraction microscope for deformation studies of polycrystals

    DEFF Research Database (Denmark)

    Fæster Nielsen, Søren; Lauridsen, E.M.; Juul Jensen, D.;

    2001-01-01

    -dimensional X-ray diffraction (3DXRD) microscope installed at the European Synchrotron Radiation Facility in Grenoble provides a fast and non-destructive technique for mapping the embedded grains within thick samples in three dimensions. All essential features like the position, volume, orientation, stress...

  11. 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 penet....... © 2012 International Union of Crystallography Printed in Singapore-all rights reserved....

  12. An Inquiry Based Exercise Using X-ray Diffraction Data to Incite Student Learning

    Science.gov (United States)

    Rogow, D. L.; McDonald, W.; Bresler, M. R.

    2010-12-01

    An inquiry based learning exercise was designed for an upper division advanced inorganic laboratory course that meets one of the requirements for the Bachelor of Science degree in Chemistry and Biochemistry at the University of California, Santa Cruz. The content goals of this exercise were evaluation of whether a given solid state structure was previously known by using powder X-ray diffraction data, and understanding how the diffraction pattern relates to the crystal structure of the compound in question. The scientific process goals included searching a database to match the patterns and preparing data for oral presentations. The goals of the exercise were addressed via an activity allowing students to utilize real X-ray powder diffraction data to search and match with known structures in a database (International Crystal Structure Database) and to give an oral presentation. After students found their structures in the database, they prepared oral presentations justifying their choice for the match and their reasoning through structural analysis of the X-ray data. Students learned about X-ray diffraction theory in an inquiry type environment and gained valuable experience and confidence in presenting their findings using strong reasoning and communication skills. Assessment was implemented during active facilitation throughout the activity and during the final oral presentations.

  13. 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 pro...

  14. Study of caprine bones after moist and dry heat processes by X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, Caroline M., E-mail: carolmattosb@yahoo.com.br [Instituto de Arqueologia Brasileira (IAB), Belford Roxo, RJ (Brazil); Azeredo, Soraia R.; Lopes, Ricardo T., E-mail: soraia@lin.ufrj.br [Coordenacao dos Programas de Pos-Graduacao em Engenharia (COPPE/LIN/UFRJ), Rio de Janeiro, RJ (Brazil). Laboratorio de Instrumentacao Nuclear; Souza, Sheila M.F.M de, E-mail: sferraz@ensp.fiocruz.br [Fundacao Oswaldo Cruz (ENSP/FIOCRUZ), Rio de Janeiro, RJ (Brazil). Escola Nacional de Saude Publica Sergio Arouca

    2013-07-01

    Bone tissue is a biological material composed of hydroxyapatite (HAp) and collagen matrix. The bone X-ray diffraction (XRD) pattern presents characteristics of the hydroxyapatite crystallography planes. This paper presents the characterization by X-ray diffraction of caprine bone powder pattern and the comparison of this pattern with moist or dry heat cooked bone patterns. The parameters chosen to characterize the X-ray diffraction peaks were: angular position (2θ), full width at half maximumt (FWHM), and relative intensity (I{sub rel}). The X-ray diffraction patterns were obtained with a Shimadzu XRD-6000 diffractometer. The caprine bone XRD pattern revealed a significant correlation of several crystallographic parameters (lattice data) with hydroxyapatite. The profiles of the three bone types analyzed presented differences. The study showed as small angular displacement (decrease of the 2θ angle) of some peaks was observed after moist and dry heat cooking processes. The characterization of bone tissue aimed to contribute to future analysis in the field of archeology. (author)

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

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

    2008-01-01

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

  16. Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers

    DEFF Research Database (Denmark)

    Stern, Stephan; Holmegaard, Lotte; Filsinger, Frank

    2014-01-01

    We give a detailed account of the theoretical analysis and the experimental results of an x-ray-diffraction experiment on quantum-state selected and strongly laser-aligned gas-phase ensembles of the prototypical large asymmetric rotor molecule 2,5-diiodobenzonitrile, performed at the Linac Cohere...

  17. Mineralogy by X-ray Diffraction on Mars: The Chemin Instrument on Mars Science Laboratory

    Science.gov (United States)

    Vaniman, D. T.; Bristow, T. F.; Bish, D. L.; Ming, D. W.; Blake, D. F.; Morris, R. V.; Rampe, E. B.; Chipera, S. J.; Treiman, A. H.; Morrison, S. M.; Achilles, C. N.; Downs, R. T.; Farmer, J. D.; Crisp, J. A.; Morookian, J. M.; Des Marais, D. J.; Grotzinger, J. P.; Sarrazin, P.; Yen, A. S.

    2014-01-01

    To obtain detailed mineralogy information, the Mars Science Laboratory rover Curiosity carries CheMin, the first X-ray diffraction (XRD) instrument used on a planet other than Earth. CheMin has provided the first in situ XRD analyses of full phase assemblages on another planet.

  18. Structural Order-Disorder Transformations Monitored by X-Ray Diffraction and Photoluminescence

    Science.gov (United States)

    Lima, R. C.; Paris, E. C.; Leite, E. R.; Espinosa, J. W. M.; Souza, A. G.; Longo, E.

    2007-01-01

    A study was conducted to examine the structural order-disorder transformation promoted by controlled heat treatment using X-ray diffraction technique (XRD) and photoluminescence (PL) techniques as tools to monitor the degree of structural order. The experiment was observed to be versatile and easily achieved with low cost which allowed producing…

  19. X-Ray Diffraction Study of L2005 AG17 (IDPs) by Using SR

    Science.gov (United States)

    Ohsumi, K. O.; Hagiya, K. H.; Zolensky, M. E.

    2002-01-01

    X-ray diffraction study revealed the existence of magnetite and new type of pyrrhotite with the chemical formula of Fe0.56S in L2005 AG17. Considering the total chemical formula of Fe0.83S, residual iron in amorphous state might exist in this sample. Additional information is contained in the original extended abstract.

  20. A greedy method for reconstructing polycrystals from three-dimensional X-ray diffraction data

    DEFF Research Database (Denmark)

    Kulshreshth, Arun Kumar; Alpers, Andreas; Herman, Gabor T.

    2009-01-01

    An iterative search method is proposed for obtaining orientation maps inside polycrystals from three-dimensional X-ray diffraction (3DXRD) data. In each step, detector pixel intensities are calculated by a forward model based on the current estimate of the orientation map. The pixel at which the ...

  1. Structure Factors of Berly for the Use in Dynamical Diffraction Studies with X-rays

    OpenAIRE

    Yoshimura, Junichi; Okamura, Mitsuru; Taki, Sadao

    1985-01-01

    For the use in dynamical diffraction works with X-rays, structure factors corresponding to the real and imaginary parts, respectively, of atomic scattering factors were calculated for beryl (Be_3Al_2Si_6O_) from previously reported structural data.

  2. Structural Order-Disorder Transformations Monitored by X-Ray Diffraction and Photoluminescence

    Science.gov (United States)

    Lima, R. C.; Paris, E. C.; Leite, E. R.; Espinosa, J. W. M.; Souza, A. G.; Longo, E.

    2007-01-01

    A study was conducted to examine the structural order-disorder transformation promoted by controlled heat treatment using X-ray diffraction technique (XRD) and photoluminescence (PL) techniques as tools to monitor the degree of structural order. The experiment was observed to be versatile and easily achieved with low cost which allowed producing…

  3. High-pressure X-ray diffraction study of bulk- and nanocrystalline GaN

    DEFF Research Database (Denmark)

    Jorgensen, J.E.; Jakobsen, J.M.; Jiang, Jianzhong

    2003-01-01

    Bulk- and nanocrystalline GaN have been studied by high-pressure energy-dispersive X-ray diffraction. Pressure-induced structural phase transitions from the wurtzite to the NaCl phase were observed in both materials. The transition pressure was found to be 40 GPa for the bulk-crystalline GaN, while...

  4. A-DNA and B-DNA: Comparing Their Historical X-Ray Fiber Diffraction Images

    Science.gov (United States)

    Lucas, Amand A.

    2008-01-01

    A-DNA and B-DNA are two secondary molecular conformations (among other allomorphs) that double-stranded DNA drawn into a fiber can assume, depending on the relative water content and other chemical parameters of the fiber. They were the first two forms to be observed by X-ray fiber diffraction in the early 1950s, respectively by Wilkins and…

  5. High-pressure X-ray diffraction of L-ALANINE crystal

    DEFF Research Database (Denmark)

    Olsen, J.S.; Gerward, Leif; Souza, A.G.

    2006-01-01

    L-ALANINE has been studied by X-ray diffraction at ambient temperature and pressure up to 10.3 GPa. The material is found to transform to a tetragonal structure between 2 and 3 GPa. and to a monoclinic structure between 8 and 10 GPa. The experimental bulk modulus is 25(5) GPa for the orthorhombic...

  6. High-pressure X-ray diffraction of L-ALANINE crystal

    DEFF Research Database (Denmark)

    Olsen, J.S.; Gerward, Leif; Souza, A.G.

    2006-01-01

    L-ALANINE has been studied by X-ray diffraction at ambient temperature and pressure up to 10.3 GPa. The material is found to transform to a tetragonal structure between 2 and 3 GPa. and to a monoclinic structure between 8 and 10 GPa. The experimental bulk modulus is 25(5) GPa for the orthorhombic...

  7. Synchrotron X-ray diffraction characterization of healthy and fluorotic human dental enamel

    Science.gov (United States)

    Colaço, M. V.; Barroso, R. C.; Porto, I. M.; Gerlach, R. F.; Costa, F. N.; Braz, D.; Droppa, R.; de Sousa, F. B.

    2012-10-01

    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 basic physical-chemistry reactions of demineralization 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 aim of this work is to characterize the healthy and fluorotic enamel in human tooth using Synchrotron X-ray diffraction. All the scattering profile measurements were carried out at the X-ray diffraction beamline (XRD1) at the Brazilian Synchrotron Light Laboratory—LNLS, Campinas, Brazil. X-ray diffraction experiments were performed both in powder samples and polished surfaces. The powder samples were analyzed to obtain the characterization of a typical healthy enamel pattern. The polished surfaces were analyzed in specific areas that have been identified as fluorotic ones. X-ray diffraction data were obtained for all samples and these data were compared with the control samples and also with the literature data.

  8. X-ray and Electron Diffraction Study of MgO

    NARCIS (Netherlands)

    Tsirelson, V.G.; Asilov, A.S.; Abramov, Yu. A.; Belokoneva, E.L.; Kitaneh, R.; Feil, D.

    1998-01-01

    Precise X-ray and high-energy transmission electron diffraction methods were used for the study of electron density and electrostatic potential in MgO crystals. The structure amplitudes were determined and their accuracy estimated using ab initio Hartree-Fock structure amplitudes as criteria. The el

  9. X-ray diffraction investigation of self-annealing in nanocrystalline copper electrodeposits

    DEFF Research Database (Denmark)

    Pantleon, Karen; Somers, Marcel A. J.

    2006-01-01

    X-ray diffraction analysis and electrical resistivity measurements were conducted simultaneously for in-situ examination of self-annealing in copper electrodeposits. Considerable growth of the as-deposited nano-sized crystallites occurs with time and the crystallographic texture changes by multip...

  10. Characterization of calcium crystals in Abelia using x-ray diffraction and electron microscopes

    Science.gov (United States)

    Localization, chemical composition, and morphology of calcium crystals in leaves and stems of Abelia mosanensis and A. ×grandiflora were analyzed with a variable pressure scanning electron microscope (VP-SEM) equipped with an X-ray diffraction system, low temperature SEM (LT-SEM) and a transmission ...

  11. High spatial resolution X-ray and gamma ray imaging system using diffraction crystals

    Science.gov (United States)

    Smither, Robert K.

    2011-05-17

    A method and a device for high spatial resolution imaging of a plurality of sources of x-ray and gamma-ray radiation are provided. The device comprises a plurality of arrays, with each array comprising a plurality of elements comprising a first collimator, a diffracting crystal, a second collimator, and a detector.

  12. Microcavity arrays for X-ray diffraction studies of ordering phenomena in confined colloid solutions

    NARCIS (Netherlands)

    Diaz, A.; David, C.; Guo, H.; Keymeulen, H.; Pfeiffer, F.; Wegdam, G.; Weitkamp, T.; van der Veen, J.F.

    2005-01-01

    We present a way to fabricate high-aspect-ratio silicon microcavity arrays which can be used for the investigation of confinement-induced ordering phenomena within colloid solutions. In these studies, the microcavity arrays serve as containers for confinement of the colloid. X-ray diffraction measur

  13. X-ray powder diffraction data and unit cells of ammonium paratungstate tetrahydrate

    NARCIS (Netherlands)

    Put, J.W. van; Verkroost, T.W.; Sonneveld, E.J.

    1990-01-01

    X-Ray powder diffraction data and unit cell parameters of industrially produced, as well as bench scale prepared, ammonium paratungstate tetrahydrate are reported and compared with current Powder Data file (PDF) (1989) patterns. A least-squares refinement resulted in two slightly different unit cell

  14. Electrostatic Molecular Interaction from X-ray Diffraction Data. II. Test on Theoretical Pyrazine Data

    NARCIS (Netherlands)

    Feil, Dirk; Moss, Grant

    1983-01-01

    In a previous paper [Moss & Feil (1981). Acta Cryst. A37, 414-421] a method was reported to calculate the electrostatic potential and the electrostatic interaction energy from single-crystal X-ray diffraction data. The method was applied to experimental pyrazine data; however, owing to the relativel

  15. Origin of nondetectable x-ray diffraction peaks in nanocomposite CuTiZr alloys

    DEFF Research Database (Denmark)

    Jiang, Jianzhong; Kato, H.; Ohsuna, T.

    2003-01-01

    Microscopic structures of Cu60Ti10+xZr30-x (x=0 and 10) alloys have been investigated by transmission electron microscopy, x-ray diffraction (XRD) and differential scanning calorimeter (DSC). In the Cu60Ti10Zr30 samples annealed at 708 K for times ranging from 0 to 130 min, where the enthalpy of ...

  16. An X-ray diffraction study of direct-bonded silicon interfaces

    DEFF Research Database (Denmark)

    Howes, P.B.; Benamara, M.; Grey, F.

    1998-01-01

    Semiconductor wafer bonding techniques have been used to create a giant twist grain boundary from two Si(001) wafers. We show, using X-ray diffraction measurements that after annealing the interface forms a highly ordered superstructure with relaxations extending to many layers into the crystals...

  17. 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...

  18. Advances in thin film diffraction instrumentation by X-ray optics

    Energy Technology Data Exchange (ETDEWEB)

    Haase, A. [Rich. Seifert and Co., Analytical X-ray Systems, Ahrensburg (Germany)

    1996-09-01

    The structural characterisation of thin films requires a parallel X-ray beam of high intensity. Parallel beam geometry is commonly used in high resolution and single crystal experiments, but also in the field of X-ray diffraction for polycrystalline material (e.g. in phase, texture and stress analysis). For grazing incidence diffraction (GID), the use of small slits on the primary side and of long soller slits with a flat monochromator on the secondary side is standard. New optical elements have been introduced with polychromatic or monochromatic radiation. By means of different applications the results are compared with those of classical beam optics. X-ray fiber optics utilize total external reflection of X-rays on smooth surfaces. Effects of monochromatization are presented. In many fields of application, fiber optics may replace conventional collimators. The use of primary and secondary channel cut crystals can also produce a high parallel monochromatic X-ray beam. A parabolically bent graded multilayer produces a monochromatic parallel beam of high intensity. Compared with classical Bragg-Brentano (focussing) geometry, excellent results have been obtained, especially for samples with an irregular shape. In combination with a channel cut monochromator there is a substantial gain in intensity leading to an increase of the dynamic intensity range of rocking curves.

  19. Observation of parametric X-ray radiation in an anomalous diffraction region

    Science.gov (United States)

    Alexeyev, V. I.; Eliseyev, A. N.; Irribarra, E.; Kishin, I. A.; Kubankin, A. S.; Nazhmudinov, R. M.

    2016-08-01

    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.

  20. X-Ray and Neutron Diffraction Studies on Thermal Parameters of Thalous Bromide

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Thermal parameters of TIBr were determined using both X-ray and neutron diffraction techniques. The data was analysed by Rietveld profile refinement procedure. From the neutron diffraction data, due to weak odd-order reflections, it was not possible to determine the individual thermal parameters. The X-ray diffraction measurements yielded BT1=0.296(5) nm2 and BBr=0.162(5) nm2. The overall isotropic value, B was 0.252(7) nm2 which is in good agreement with B=0.230(8) nm2 obtained from present neutron diffraction measurements. The present values are also in good agreement with theoretical estimates obtained from the shell models.

  1. Twisted X-rays: incoming waveforms yielding discrete diffraction patterns for helical structures

    CERN Document Server

    Friesecke, Gero; Jüstel, Dominik

    2015-01-01

    Conventional X-ray methods use incoming plane waves and result in discrete diffraction patterns when scattered at crystals. Here we find, by a systematic method, incoming waveforms which exhibit discrete diffraction patterns when scattered at helical structures. As examples we present simulated diffraction patterns of carbon nanotubes and tobacco mosaic virus. The new incoming waveforms, which we call twisted waves due to their geometric shape, are found theoretically as closed-form solutions to Maxwell's equations. The theory of the ensuing diffraction patterns is developed in detail. A twisted analogue of the Von Laue condition is seen to hold, with the peak locations encoding the symmetry and the helix parameters, and the peak intensities indicating the electronic structure in the unit cell. If suitable twisted X-ray sources can in the future be realized experimentally, it appears from our mathematical results that they will provide a powerful tool for directly determining the detailed atomic structure of ...

  2. Design and performance of an imaging plate system for X-ray diffraction study

    Science.gov (United States)

    Amemiya, Yoshiyuki; Matsushita, Tadashi; Nakagawa, Atsushi; Satow, Yoshinori; Miyahara, Junji; Chikawa, Jun-ichi

    1988-04-01

    A new readout system for a BaFBr: Eu 2+ photostimulable phosphor screen (imaging plate) was constructed by modifying a drum scanner, with a design optimized for X-ray diffraction and scattering applications. An effort was made to achieve a high detective quantum efficiency below 20 keV, a small pixel size (25 μm × 25 μm), a low quantization noise (0.22%) using 12-bit A/D converters, and the capability to cover an inherent dynamic range (1:10 5) of the photostimulated luminescence by using two photomultiplier tubes. This system is being used in several synchrotron radiation experiments: Laue diffraction of protein crystals, small angle diffraction from a single muscle fiber, powder diffraction from crystals in a diamond anvil cell, and time-resolved small-angle X-ray scattering from a synthetic polymer during stretching.

  3. Femtosecond powder diffraction with a laser-driven hard X-ray source.

    Science.gov (United States)

    Zamponi, F; Ansari, Z; Woerner, M; Elsaesser, T

    2010-01-18

    X-ray powder diffraction with a femtosecond time resolution is introduced to map ultrafast structural dynamics of polycrystalline condensed matter. Our pump-probe approach is based on photoexcitation of a powder sample with a femtosecond optical pulse and probing changes of its structure by diffracting a hard X-ray pulse generated in a laser-driven plasma source. We discuss the key aspects of this scheme including an analysis of detection sensitivity and angular resolution. Applying this technique to the prototype molecular material ammonium sulfate, up to 20 powder diffraction rings are recorded simultaneously with a time resolution of 100 fs. We describe how to derive transient charge density maps of the material from the extensive set of diffraction data in a quantitative way.

  4. Observation of sagittal X-ray diffraction by surface acoustic waves in Bragg geometry.

    Science.gov (United States)

    Vadilonga, Simone; Zizak, Ivo; Roshchupkin, Dmitry; Evgenii, Emelin; Petsiuk, Andrei; Leitenberger, Wolfram; Erko, Alexei

    2017-04-01

    X-ray Bragg diffraction in sagittal geometry on a Y-cut langasite crystal (La3Ga5SiO14) modulated by Λ = 3 µm Rayleigh surface acoustic waves was studied at the BESSY II synchrotron radiation facility. Owing to the crystal lattice modulation by the surface acoustic wave diffraction, satellites appear. Their intensity and angular separation depend on the amplitude and wavelength of the ultrasonic superlattice. Experimental results are compared with the corresponding theoretical model that exploits the kinematical diffraction theory. This experiment shows that the propagation of the surface acoustic waves creates a dynamical diffraction grating on the crystal surface, and this can be used for space-time modulation of an X-ray beam.

  5. 3D tumor localization through real-time volumetric x-ray imaging for lung cancer radiotherapy

    CERN Document Server

    Li, Ruijiang; Jia, Xun; Gu, Xuejun; Folkerts, Michael; Men, Chunhua; Song, William Y; Jiang, Steve B

    2011-01-01

    Recently we have developed an algorithm for reconstructing volumetric images and extracting 3D tumor motion information from a single x-ray projection. We have demonstrated its feasibility using a digital respiratory phantom with regular breathing patterns. In this work, we present a detailed description and a comprehensive evaluation of the improved algorithm. The algorithm was improved by incorporating respiratory motion prediction. The accuracy and efficiency were then evaluated on 1) a digital respiratory phantom, 2) a physical respiratory phantom, and 3) five lung cancer patients. These evaluation cases include both regular and irregular breathing patterns that are different from the training dataset. For the digital respiratory phantom with regular and irregular breathing, the average 3D tumor localization error is less than 1 mm. On an NVIDIA Tesla C1060 GPU card, the average computation time for 3D tumor localization from each projection ranges between 0.19 and 0.26 seconds, for both regular and irreg...

  6. Structure-function Investigation of Operando Nanostructured Materials Using Coherent X-ray Diffractive Imaging

    Science.gov (United States)

    Ulvestad, Andrew

    Nanostructured devices promise to help solve grand challenges of our time, including renewable energy generation, storage, and mitigating climate change. Their power lies in the particular influence of the surface on the total free energy when dimensions approach the nanoscale and it is well known that different sizes, shapes, and defects can drastically alter material properties. However, this strength represents a considerable challenge for imaging techniques that can be limited in terms of sample environments, average over large ensembles of particles, and/or lack adequate spatiotemporal resolution for studying the relevant physical processes. The focus of this thesis is the development of in situ coherent X-ray diffractive imaging (CXDI) and its application in imaging strain evolution in battery cathode nanoparticles. Using in situ CXDI, the compressive/tensile strain field in the pristine state is revealed, and found to be linked to a particular concentration of strain inducing Jahn-Teller ions. The evolution of strain during the first charge/discharge cycle shows that the cathode nanoparticle exhibits phase separation. Using the 3D strain field, the strain field energy is calculated and shows interesting hysteresis between charge and discharge. Strain evolution during a disconnection event, in which the cathode nanoparticle is no longer able to exchange electrons and ions with its environment, reveals the formation of a poorly conducting interphase layer. Finally, strain fields were used to study dislocation dynamics in battery nanoparticles. Using the full 3D information, the dislocation line structure is mapped and shown to move in response to charge transfer. The dislocation is used as a way to probe the local material properties and it is discovered that the material enters an ``auxetic", or negative Poisson's ratio, regime.

  7. X-ray diffraction measurements for solid methane at high pressures

    CERN Document Server

    Umemoto, S; Akahama, Y; Kawamura, H

    2002-01-01

    X-ray powder diffraction and Raman scattering experiments for solid methane were carried out at pressures up to 37 GPa and room temperature. The diffraction pattern of phase B at 16.9 GPa is assigned to a cubic lattice with lattice constant of 7.914 A (B. At the transition from phase B to the HP phase, the pressure-volume curve shows an anomaly without the structural change.

  8. Energy-dispersive X-ray diffraction beamline at Indus-2 synchrotron source

    Indian Academy of Sciences (India)

    K K Pandey; H K Poswal; A K Mishra; Abhilash Dwivedi; R Vasanthi; Nandini Garg; Surinder M Sharma

    2013-04-01

    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 powdered samples. A few recent high-pressure investigations are presented to demonstrate the capabilities of the beamline.

  9. An ultrahigh-vacuum chamber for surface X-ray diffraction combined with MBE

    Science.gov (United States)

    Vlieg, E.; Van't Ent, A.; De Jongh, A. P.; Neerings, H.; Van Der Veen, J. F.

    1987-12-01

    An ultrahigh-vacuum chamber has been built which can be coupled to a diffractometer via a rotary feedthrough. X-rays enter and leave the chamber through a large beryllium window. In addition to standard equipment for surface preparation and reflection high-energy electron diffraction, the chamber contains Knudsen evaporation cells for MBE crystal growth. This arrangement allows in situ diffraction experiments to be performed on growing surfaces and thin films.

  10. X-ray detectors for diffraction studies and their use with synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Milch, J.

    1976-02-01

    All techniques for X-ray diffraction studies on biological materials exhibit certain limitations. The characteristics of several X-ray detection systems, namely film, multiwire proportional counter and image intensified TV, are discussed and compared for application to specific biological studies. For the high count-rate situation existing at a synchrotron, it is shown that film is a good choice, but that the image intensified TV exhibits significant advantages. The details of such a system now being used at Princeton with a low intensity source are given and current results presented.

  11. Quantitative x-ray diffraction phase analysis of coarse airborne particulate collected by cascade impactor sampling

    Science.gov (United States)

    Esteve, V.; Rius, J.; Ochando, L. E.; Amigó, J. M.

    Mineralogical composition of Castellon (Spanish Mediterranean coast) atmospheric aerosol was studied by X-ray diffraction by sampling with a cascade impactor without filters. Quantitative phase analysis of natural phases present in the atmospheric coarse aerosol was performed using a modified version of the computer program MENGE, that uses the standardless X-ray method developed by Rius for the quantitative analysis of multiphase mixtures, adapted for PC running. Presence of quartz, calcite and gypsum was identified in the atmospheric aerosol and we have quantified their amounts using the standardless method.

  12. Content analyses in GaMnAs by double-crystal X-ray diffraction

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A model for analyzing point defects in compound crystals was improved. Based on this modified model,a method for measuring Mn content in GaMnAs was established. A technique for eliminating the zero-drift-error was also established in the experiments of X-ray diffraction. With these methods, the Mn content in GaMnAs single crystals fabricated by the ion-beam epitaxy system was analyzed.Kevwords: GaMnAs, diluted magnetic semiconductor, X-ray dff fraction, lattice parameter, content of Mn.

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

    DEFF Research Database (Denmark)

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

    2011-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Kassemeyer, Stephan

    2014-05-20

    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

  15. Composition variations in Cu{sub 2}ZnSnSe{sub 4} thin films analyzed by X-ray diffraction, energy dispersive X-ray spectroscopy, particle induced X-ray emission, photoluminescence, and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Dahyun [Department of Physics, Sogang University, Seoul 121-742 (Korea, Republic of); Opanasyuk, A.S.; Koval, P.V.; Ponomarev, A.G. [Department of Electronics and Computer Technology, Sumy State University, Sumy UA-40007 (Ukraine); Jeong, Ah Reum; Kim, Gee Yeong; Jo, William [Department of Physics, Ewha Womans University, Seoul 120-750 (Korea, Republic of); Cheong, Hyeonsik, E-mail: hcheong@sogang.ac.kr [Department of Physics, Sogang University, Seoul 121-742 (Korea, Republic of)

    2014-07-01

    Compositional and structural studies of Cu{sub 2}ZnSnSe{sub 4} (CZTSe) thin films were carried out by X-ray diffraction, energy dispersive X-ray spectroscopy (EDS), particle induced X-ray emission (PIXE), photoluminescence, and Raman spectroscopy. CZTSe thin films with different compositions were deposited on sodalime glass by co-evaporation. The composition of the films measured by two different methods, EDS and PIXE, showed significant differences. Generally, the Zn/Sn ratio measured by EDS is larger than that measured by PIXE. Both the micro-PIXE and the micro-Raman imaging results indicated the compositional and structural inhomogeneity of the sample. - Highlights: • Particle induced X-ray emission was used to analyze the composition of CZTSe films. • Energy dispersive X-ray spectroscopy tends to underestimate the Sn composition. • Local Raman intensity is related with the composition rather than the crystallinity.

  16. Energy-windowed, pixellated X-ray diffraction using the Pixirad CdTe detector

    Science.gov (United States)

    O'Flynn, D.; Bellazzini, R.; Minuti, M.; Brez, A.; Pinchera, M.; Spandre, G.; Moss, R.; Speller, R. D.

    2017-01-01

    X-ray diffraction (XRD) is a powerful tool for material identification. In order to interpret XRD data, knowledge is required of the scattering angles and energies of X-rays which interact with the sample. By using a pixellated, energy-resolving detector, this knowledge can be gained when using a spectrum of unfiltered X-rays, and without the need to collimate the scattered radiation. Here we present results of XRD measurements taken with the Pixirad detector and a laboratory-based X-ray source. The cadmium telluride sensor allows energy windows to be selected, and the 62 μm pixel pitch enables accurate spatial information to be preserved for XRD measurements, in addition to the ability to take high resolution radiographic images. Diffraction data are presented for a variety of samples to demonstrate the capability of the technique for materials discrimination in laboratory, security and pharmaceutical environments. Distinct diffraction patterns were obtained, from which details on the molecular structures of the items under study were determined.

  17. A laboratory based system for Laue micro x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Advanced Light Source; Tamura, Nobumichi; Lynch, P.A.; Stevenson, A.W.; Liang, D.; Parry, D.; Wilkins, S.; Tamura, N.

    2007-02-28

    A laboratory diffraction system capable of illuminating individual grains in a polycrystalline matrix is described. Using a microfocus x-ray source equipped with a tungsten anode and prefigured monocapillary optic, a micro-x-ray diffraction system with a 10 mum beam was developed. The beam profile generated by the ellipsoidal capillary was determined using the"knife edge" approach. Measurement of the capillary performance, indicated a beam divergence of 14 mrad and a useable energy bandpass from 5.5 to 19 keV. Utilizing the polychromatic nature of the incident x-ray beam and application of the Laue indexing software package X-Ray Micro-Diffraction Analysis Software, the orientation and deviatoric strain of single grains in a polycrystalline material can be studied. To highlight the system potential the grain orientation and strain distribution of individual grains in a polycrystalline magnesium alloy (Mg 0.2 wt percent Nd) was mapped before and after tensile loading. A basal (0002) orientation was identified in the as-rolled annealed alloy; after tensile loading some grains were observed to undergo an orientation change of 30 degrees with respect to (0002). The applied uniaxial load was measured as an increase in the deviatoric tensile strain parallel to the load axis (37 References).

  18. Crystallization and X-ray diffraction data of Thermus flavus 5S rRNA helices

    Science.gov (United States)

    Vallazza, Marco; Senge, Andrea; Lippmann, Corinna; Perbandt, Markus; Betzel, Christian; Bald, Rolf; Erdmann, Volker A.

    2001-11-01

    5S rRNA is an essential component of the large ribosomal subunit in prokaryotes and eukaryotes. Its unknown function in the ribosome will eventually be revealed in part by structural studies. To promote crystallization and enhance resolution in X-ray diffraction the molecule was subdivided into five domains A-E. Several RNA oligonucleotides were chemically produced by solid-phase phosphoramidite synthesis in order to construct the domains of the 5S rRNA. An improved RNA-MPD-screen was applied in crystallization which covers a complete 2D matrix for the components used. Crystallization analysis resulted in preferred combinations of pH, polyamine, monovalent and divalent cations for short RNA molecules. Six types of crystals corresponding to the domains B, C and E of Thermus flavus 5S rRNA could be obtained which were suitable for X-ray diffraction. Four RNA helices consist of seven base pairs and two of eight base pairs. As special features, they contain two adenines in a bulge position or G : U wobble base pairs assumed to be involved in RNA-protein recognition. With an increase in crystal size an increase in resolution by X-ray analysis was observed. X-ray diffraction data were collected to 1.5 Å resolution using synchrotron radiation and cryogenic cooling techniques.

  19. The catalytic mechanism of an aspartic proteinase explored with neutron and X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Kovalevsky, Andrey [Los Alamos National Laboratory (LANL); Erskine, Peter T. [University of Southampton, England; Cooper, Jon [University of Southampton, England

    2008-01-01

    Hydrogen atoms play key roles in enzyme mechanism, but as this study shows, even high-quality X-ray data to a resolution of 1 {angstrom} cannot directly visualize them. Neutron diffraction, however, can locate deuterium atoms even at resolutions around 2 {angstrom}. Both neutron and X-ray diffraction data have been used to investigate the transition state of the aspartic proteinase endothiapepsin. The different techniques reveal a different part of the story, revealing the clearest picture yet of the catalytic mechanism by which the enzyme operates. Room temperature neutron and X-ray diffraction data were used in a newly developed joint refinement software package to visualize deuterium atoms within the active site of the enzyme when a gem-diol transition state analogue inhibitor is bound at the active site. These data were also used to estimate their individual occupancy, while analysis of the differences between the bond lengths of the catalytic aspartates was performed using atomic resolution X-ray data. The two methods are in agreement on the protonation state of the active site with a transition state analogue inhibitor bound confirming the catalytic mechanism at which the enzyme operates.

  20. A novel setup for time-resolved X-ray diffraction on gas gun experiments

    Science.gov (United States)

    Zucchini, Frédéric; Chauvin, Camille; Loyen, Arnaud; Combes, Philippe; Petit, Jacques; Bland, Simon

    2017-01-01

    Polymorphic phase transitions in metals have been investigated for a long time under dynamic loadings through usual dynamic compression diagnostics such as velocity and temperature measurements. Such measurements were valuable for revealing the key role of kinetic effects in most phase transition mechanisms. However, the information extracted was mostly macroscopic. Obtaining direct insight about the crystallographic structure under dynamic loadings is critical for understanding mechanisms governing shock-induced structural changes. For example, in order to evidence a mixture phase or to determine the time scale of a transition, structural information may be extremely valuable. Over the last 20 years a significant number of X-ray diffraction experiments were carried under dynamic loading, either using laboratory X-ray sources or synchrotron radiation. We are developing a novel experimental setup based on a compact High Pulsed Power generator capable of producing intense X radiation through an X-pinch X-ray source. This source is specifically designed for time-resolved X-ray diffraction in Bragg geometry on gas gun experiments. Promising preliminary diffraction data obtained under static conditions are presented.

  1. Thermal transport in thin films measured by time-resolved, grazing incidence x-ray diffraction.

    Energy Technology Data Exchange (ETDEWEB)

    Walko, D. A.; Sheu, Y.-M.; Trigo, M.; Reis, D. A. (X-Ray Science Division); (Univ. of Michigan,); (SLAC National Accelerator Lab.); (Stanford Univ.)

    2011-01-01

    We use depth- and time-resolved x-ray diffraction to study thermal transport across single crystal Bi films grown on sapphire in order to determine the thermal conductivity of the film and the Kapitza conductance of the interface. Ultrafast Ti:sapphire laser pulses were used to heat the films; x-ray diffraction then measured the film's lattice expansion. Use of grazing incidence diffraction geometry provided depth sensitivity, as the x-ray angle of incidence was varied near the critical angle. The shift of the film's Bragg peak position with time was used to determine the film temperature averaged over an x-ray penetration depth that could be selected by choice of the angle of incidence. For films that were thick compared to the laser penetration depth, we observed a large temperature gradient at early times. In this case, measurements with the incident angle near or well above the critical angle were more sensitive to the film conductivity or Kapitza conductance, respectively. For thinner films, however, cooling was dominated by the Kapitza conductance at all accessible time scales.

  2. Rapid, low dose X-ray diffractive imaging of the malaria parasite Plasmodium falciparum

    Energy Technology Data Exchange (ETDEWEB)

    Jones, Michael W.M., E-mail: michael.jones@latrobe.edu.au [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Dearnley, Megan K. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Biochemistry and Molecular Biology, Bio21 Institute, The University of Melbourne, Victoria 3010 (Australia); Riessen, Grant A. van [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Abbey, Brian [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Melbourne Centre for Nanofabrication, Victoria 3168 (Australia); Putkunz, Corey T. [ARC Centre of Excellence for Coherent X-Ray Science, School of Physics, The University of Melbourne, Victoria 3010 (Australia); Junker, Mark D. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Vine, David J. [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); McNulty, Ian [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States); Centre for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Nugent, Keith A. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Peele, Andrew G. [ARC Centre of Excellence for Coherent X-Ray Science, Department of Physics, La Trobe University, Victoria 3086 (Australia); Australian Synchrotron, 800 Blackburn Road, Clayton 3168 (Australia); Tilley, Leann [ARC Centre of Excellence for Coherent X-Ray Science, Department of Biochemistry and Molecular Biology, Bio21 Institute, The University of Melbourne, Victoria 3010 (Australia)

    2014-08-01

    Phase-diverse X-ray coherent diffractive imaging (CDI) provides a route to high sensitivity and spatial resolution with moderate radiation dose. It also provides a robust solution to the well-known phase-problem, making on-line image reconstruction feasible. Here we apply phase-diverse CDI to a cellular sample, obtaining images of an erythrocyte infected by the sexual stage of the malaria parasite, Plasmodium falciparum, with a radiation dose significantly lower than the lowest dose previously reported for cellular imaging using CDI. The high sensitivity and resolution allow key biological features to be identified within intact cells, providing complementary information to optical and electron microscopy. This high throughput method could be used for fast tomographic imaging, or to generate multiple replicates in two-dimensions of hydrated biological systems without freezing or fixing. This work demonstrates that phase-diverse CDI is a valuable complementary imaging method for the biological sciences and ready for immediate application. - Highlights: • Phase-diverse coherent X-ray diffraction microscopy provides high-resolution and high-contrast images of intact biological samples. • Rapid nanoscale resolution imaging is demonstrated at orders of magnitude lower dose than previously possible. • Phase-diverse coherent X-ray diffraction microscopy is a robust technique for rapid, quantitative, and correlative X-ray phase imaging.

  3. Development of synchrotron radiation as a high-intensity source for X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Huxley, H.E. [Brandeis Univ., Rosenstiel Center, Waltham, Massachusetts (United States); Holmes, K.C. [Max-Planck-Inst. fuer Medizinische Forschung, Heidelberg (Germany)

    1997-11-01

    Interest in the molecular mechanism of muscle contraction led to the search for an intense source of X-rays of 1-2 Aa wavelength so as to be able to examine the rich X-ray diffraction patterns given by muscles during contraction. This led to the first X-ray diffraction experiments using synchrotron radiation, carried out by Holmes, Rosenbaum and Witz at DESY, Hamburg, in September 1970. In the following years, the EMBL Outstation, to utilize synchrotron radiation for biological structure determination, was established at DESY and preliminary experiments on muscle were also carried out at NINA (Daresbury). The development of time-resolved techniques for muscle diffraction was first started in the MRC Molecular Biology Laboratory in Cambridge, using rotating-anode X-ray tubes, and was then greatly extended at the EMBL Outstation, Hamburg, using the storage ring DORIS. This was a very successful venture, and helped to drive the whole technology development and to interest other potential users in the technique. (au).

  4. A Hidden Markov Model for 3D Catheter Tip Tracking with 2D X-ray Catheterization Sequence and 3D Rotational Angiography.

    Science.gov (United States)

    Ambrosini, Pierre; Smal, Ihor; Ruijters, Daniel; Niessen, Wiro; Moelker, Adriaan; van Walsum, Theo

    2016-11-07

    In minimal invasive image guided catheterization procedures, physicians require information of the catheter position with respect to the patient's vasculature. However, in fluoroscopic images, visualization of the vasculature requires toxic contrast agent. Static vasculature roadmapping, which can reduce the usage of iodine contrast, is hampered by the breathing motion in abdominal catheterization. In this paper, we propose a method to track the catheter tip inside the patient's 3D vessel tree using intra-operative single-plane 2D X-ray image sequences and a peri-operative 3D rotational angiography (3DRA). The method is based on a hidden Markov model (HMM) where states of the model are the possible positions of the catheter tip inside the 3D vessel tree. The transitions from state to state model the probabilities for the catheter tip to move from one position to another. The HMM is updated following the observation scores, based on the registration between the 2D catheter centerline extracted from the 2D X-ray image, and the 2D projection of 3D vessel tree centerline extracted from the 3DRA. The method is extensively evaluated on simulated and clinical datasets acquired during liver abdominal catheterization. The evaluations show a median 3D tip tracking error of 2.3 mm with optimal settings in simulated data. The registered vessels close to the tip have a median distance error of 4.7 mm with angiographic data and optimal settings. Such accuracy is sufficient to help the physicians with an up-to-date roadmapping. The method tracks in real-time the catheter tip and enables roadmapping during catheterization procedures.

  5. 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.

  6. Heterodyne-Detected Ultrafast X-Ray Diffraction and Scattering from Nonstationary States

    CERN Document Server

    Bennett, Kochise; Mukamel, Shaul

    2016-01-01

    Free-electron laser hard X-ray light sources can provide high fluence, femtosecond pulses, enabling the time-resolved probing of structural dynamics and elementary relaxation processes in molecules. Traditional X-ray elastic scattering from crystals in the ground state consists of sharp Bragg diffraction peaks that arise from pairs of molecules and reveal the ground state charge density. Scattering of ultrashort X-ray pulses from gases, liquids, and even single molecules is more complex and involves both single- and two- molecule contributions, diffuse (non-Bragg) features, elastic and inelastic components, contributions of electronic coherences in nonstationary states, and interferences between scattering off different states (heterodyne detection). We present a unified description that covers all these processes and discuss their relative magnitudes for gas-phase NaI. Conditions for the observation of holographic (heterodyne) interference, which has been recently discussed [1], are clarified.

  7. Double-slit dynamical diffraction of X-rays in ideal crystals (Laue case).

    Science.gov (United States)

    Balyan, Minas K

    2010-11-01

    The theoretical investigation of double-slit dynamical X-ray diffraction in ideal crystals shows that, on the exit surface of crystals, interference fringes similar to Young's fringes are formed. An expression for the period of the fringes was obtained. The visibility of the fringes depending on temporal and spatial coherent properties of the incident beam is studied. The polarization state of the incident beam also affects the visibility of the fringes, which in turn depends on the size of the slits. The deviation from Bragg's exact angle causes a shift of the fringes and can also affect the amplitude of the intensity. One of the parameters on which the visibility of the fringes depends is the source-crystal distance. The proposed scheme can be used as a Rayleigh X-ray interferometer. Use of the scheme as a Michelson X-ray stellar interferometer is also possible.

  8. Imaging of Biological Materials and Cells by X-ray Scattering and Diffraction.

    Science.gov (United States)

    Hémonnot, Clément Y J; Köster, Sarah

    2017-09-26

    Cells and biological materials are large objects in comparison to the size of internal components such as organelles and proteins. An understanding of the functions of these nanoscale elements is key to elucidating cellular function. In this review, we describe the advances in X-ray scattering and diffraction techniques for imaging biological systems at the nanoscale. We present a number of principal technological advances in X-ray optics and development of sample environments. We identify radiation damage as one of the most severe challenges in the field, thus rendering the dose an important parameter when putting different X-ray methods in perspective. Furthermore, we describe different successful approaches, including scanning and full-field techniques, along with prominent examples. Finally, we present a few recent studies that combined several techniques in one experiment in order to collect highly complementary data for a multidimensional sample characterization.

  9. Study of carbon steel corrosion layer by X-ray diffraction and absorption methods

    Energy Technology Data Exchange (ETDEWEB)

    Malinovschi, V. [University of Pitesti, Research Center for Advanced Materials, Targul din Vale Street, No.1, 110040 Pitesti, Arges (Romania)]. E-mail: malinov@electra.upit.ro; Ducu, C. [University of Pitesti, Research Center for Advanced Materials, Targul din Vale Street, No.1, 110040 Pitesti, Arges (Romania); Aldea, N. [National Institutes for Research and Development for Isotopic and Molecular Technologies, P.O. Box 700, 3400 Cluj-Napoca (Romania); Fulger, M. [Institutes for Nuclear Research, P.O. Box 0402, 0300 Pitesti (Romania)

    2006-06-30

    To predict the behavior of structural metallic materials into the CANDU nuclear reactor, the oxide films on the surface were growth in a controlled manner using an autoclave simulating the environment specific to the nuclear reactor. In order to establish the structural changes of the oxide films, the X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectrometry (EDX) and extended X-ray absorption fine structure spectroscopy (EXAFS) analysis were used. Analysis performed showed differences in morphology of the oxide films from carbon steel samples exposed under different conditions corresponding to primary and secondary circuits in CANDU nuclear reactor. The oxide phases were identified and the thicknesses of the films were calculated. The agreement between results obtained by these methods was discussed according to the microstructure of the samples.

  10. Simulating 3D Stellar Winds and Diffuse X-ray Emissions from Gases in Non-equilibrium Ionization State

    Science.gov (United States)

    Long, Min; Sun, Wei; Niu, Shu; Zhou, Xin; Ji, Li

    2017-08-01

    We investigate the physical properties of stellar winds launched in super stellar clusters (SSCs). Chandra observations have detected the presence of diffuse X-ray emission caused by hot gas from such winds in SSCs, and provide the best probe for understanding interactions between the stellar winds and the complex nursery regions. However, the details of the origin of cluster winds, the mass and energy ejection, the formation of diffuse X-ray emission, the fraction of winds contribution to the distribution of diffuse X-ray emission still remain unclear. We developed a multiphysics hydrodynamic model including self-gravity, head conduction and performed 3D simulations with an unprecedented grid resolution due to adaptive mesh refinement (AMR) capability in a case study of NGC 3603, as a supplement to the analysis of the archived 500 ks Chandra observations. The synthetic emission will be computed by assuming the gas in a non-equilibrium ionization (NEI) state indicated by Chandra observation, not coronal ionization equilibrium (CIE) that most works assumed, by using a customized NEI calculation module based on AtomDB. The results will be compared to the Chandra observations.

  11. Analytical characterization of a new mobile X-ray fluorescence and X-ray diffraction instrument combined with a pigment identification case study

    Energy Technology Data Exchange (ETDEWEB)

    Van de Voorde, Lien, E-mail: lien.vandevoorde@ugent.be [Ghent University, Department of Analytical Chemistry, X-ray Microspectroscopy and Imaging Research Group, Krijgslaan 281 S12, B-9000 Gent (Belgium); Vekemans, Bart [Ghent University, Department of Analytical Chemistry, X-ray Microspectroscopy and Imaging Research Group, Krijgslaan 281 S12, B-9000 Gent (Belgium); Verhaeven, Eddy [Antwerp University, Faculty of Design Sciences, Mutsaardstraat 31, B-2000 Antwerpen (Belgium); Tack, Pieter; De Wolf, Robin; Garrevoet, Jan [Ghent University, Department of Analytical Chemistry, X-ray Microspectroscopy and Imaging Research Group, Krijgslaan 281 S12, B-9000 Gent (Belgium); Vandenabeele, Peter [Ghent University, Department of Archaeology, Archaeometry Research Group, Sint-Pietersnieuwstraat 35, B-9000 Gent (Belgium); Vincze, Laszlo [Ghent University, Department of Analytical Chemistry, X-ray Microspectroscopy and Imaging Research Group, Krijgslaan 281 S12, B-9000 Gent (Belgium)

    2015-08-01

    A new, commercially available, mobile system combining X-ray diffraction and X-ray fluorescence has been evaluated which enables both elemental analysis and phase identification simultaneously. The instrument makes use of a copper or molybdenum based miniature X-ray tube and a silicon-Pin diode energy-dispersive detector to count the photons originating from the samples. The X-ray tube and detector are both mounted on an X-ray diffraction protractor in a Bragg–Brentano θ:θ geometry. The mobile instrument is one of the lightest and most compact instruments of its kind (3.5 kg) and it is thus very useful for in situ purposes such as the direct (non-destructive) analysis of cultural heritage objects which need to be analyzed on site without any displacement. The supplied software allows both the operation of the instrument for data collection and in-depth data analysis using the International Centre for Diffraction Data database. This paper focuses on the characterization of the instrument, combined with a case study on pigment identification and an illustrative example for the analysis of lead alloyed printing letters. The results show that this commercially available light-weight instrument is able to identify the main crystalline phases non-destructively, present in a variety of samples, with a high degree of flexibility regarding sample size and position. - Highlights: • New X-ray fluorescence and X-ray diffraction instrument for non-destructive analysis • Commercially available, mobile system • One of the lightest and most compact of its kind • Characterization, data acquisition and analysis are performed. • Results of measurements on pigment model samples and cultural heritage materials.

  12. The structure of liquid semiconductors, superionic conductors and glasses by neutron scattering, X-ray diffraction and extended X-ray absorption fine structure

    CERN Document Server

    Buchanan, P

    2001-01-01

    NDIS technique alone. The structure of liquid FeTe sub 2 was determined at the total structure factor level using neutron diffraction in order to estimate the effect of chalcogenide ion size on the structure. The results demonstrate the feasibility of the additional structural determination techniques for disordered materials made possible through the development of third generation X-ray synchrotron sources. A study of the applicability of modern X-ray and neutron scattering techniques to the study of the structure of liquid semiconductors and glasses has been made. The results demonstrate how neutron scattering with isotopic substitution (NDIS), anomalous X-ray scattering and Extended X-ray Absorption Fine Structure (EXAFS) can be successfully used to elucidate the structure of materials that cannot be studied by NDIS alone. The local coordination structure of Ag sub 2 Se in its room temperature, superionic and liquid phases has been determined using the EXAFS technique. This EXAFS data have been combined w...

  13. Analysis of 3D Prints by X-ray Computed Microtomography and Terahertz Pulsed Imaging.

    Science.gov (United States)

    Markl, Daniel; Zeitler, J Axel; Rasch, Cecilie; Michaelsen, Maria Høtoft; Müllertz, Anette; Rantanen, Jukka; Rades, Thomas; Bøtker, Johan

    2017-05-01

    A 3D printer was used to realise compartmental dosage forms containing multiple active pharmaceutical ingredient (API) formulations. This work demonstrates the microstructural characterisation of 3D printed solid dosage forms using X-ray computed microtomography (XμCT) and terahertz pulsed imaging (TPI). Printing was performed with either polyvinyl alcohol (PVA) or polylactic acid (PLA). The structures were examined by XμCT and TPI. Liquid self-nanoemulsifying drug delivery system (SNEDDS) formulations containing saquinavir and halofantrine were incorporated into the 3D printed compartmentalised structures and in vitro drug release determined. A clear difference in terms of pore structure between PVA and PLA prints was observed by extracting the porosity (5.5% for PVA and 0.2% for PLA prints), pore length and pore volume from the XμCT data. The print resolution and accuracy was characterised by XμCT and TPI on the basis of the computer-aided design (CAD) models of the dosage form (compartmentalised PVA structures were 7.5 ± 0.75% larger than designed; n = 3). The 3D printer can reproduce specific structures very accurately, whereas the 3D prints can deviate from the designed model. The microstructural information extracted by XμCT and TPI will assist to gain a better understanding about the performance of 3D printed dosage forms.

  14. High-pressure X-ray diffraction studies of potassium chlorate

    Energy Technology Data Exchange (ETDEWEB)

    Pravica, Michael; Bai, Ligang; Bhattacharya, Neelanjan (UNLV)

    2012-03-15

    Two static high-pressure X-ray diffraction (XRD) studies of potassium chlorate have been performed at pressures of up to {approx}14.3 GPa in a diamond anvil cell at ambient temperature using the 16 ID-B undulator beamline at the Advanced Photon Source for the X-ray source. The first experiment was conducted to ascertain decomposition rates of potassium chlorate as a function of pressure. Below 2 GPa, the sample was observed to decompose rapidly in the presence of the X-ray beam and release oxygen. Above 2 GPa (near the phase I phase II transition), the decomposition rate dramatically slowed so that good quality XRD patterns could be acquired. This suggests a phase-dependent decomposition rate. In the second study, X-ray diffraction spectra were collected at pressures from 2 to 14.3 GPa by aligning virgin portions of the sample into the focused X-ray beam at each pressure. The results suggest the co-existence of mixed monoclinic (I) and rhombohedral (II) phases of potassium chlorate near 2 GPa. At pressures beyond 4 GPa, the XRD patterns show a very good fit to KClO{sub 3} in the rhombohedral phase with space group R3m, in agreement with earlier studies. No further phase transitions were observed with pressure. Decompression of the sample to ambient pressure indicated mixed phases I and II coupled with a small amount of synchrotron X-ray-induced decomposition product. The equation of state within this pressure regime has been determined.

  15. Purification, crystallization and preliminary X-ray diffraction experiment of nattokinase from Bacillus subtilis natto.

    Science.gov (United States)

    Yanagisawa, Yasuhide; Chatake, Toshiyuki; Chiba-Kamoshida, Kaori; Naito, Sawa; Ohsugi, Tadanori; Sumi, Hiroyuki; Yasuda, Ichiro; Morimoto, Yukio

    2010-12-01

    Nattokinase is a single polypeptide chain composed of 275 amino acids (molecular weight 27,724) which displays strong fibrinolytic activity. Moreover, it can activate other fibrinolytic enzymes such as pro-urokinase and tissue plasminogen activator. In the present study, native nattokinase from Bacillus subtilis natto was purified using gel-filtration chromatography and crystallized to give needle-like crystals which could be used for X-ray diffraction experiments. The crystals belonged to space group C2, with unit-cell parameters a=74.3, b=49.9, c=56.3 Å, β=95.2°. Diffraction images were processed to a resolution of 1.74 Å with an Rmerge of 5.2% (15.3% in the highest resolution shell) and a completeness of 69.8% (30.0% in the highest resolution shell). This study reports the first X-ray diffraction analysis of nattokinase.

  16. Slow scan sit detector for x-ray diffraction studies using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Milch, J R

    1978-10-18

    A TV-type x-ray detector using a SIT vidicon has been used for biological diffraction studies at the EMBL outstation at DESY, Hamburg, Germany. The detector converts the two-dimensional diffraction pattern to a charge pattern on the vidicon target, which is read out in the slow-scan mode. This detector has high DOE, no count-rate limit, and is simple and inexpensive to construct. Radiation from the storage ring DORIS was used to study the structure of live muscle at various phases of contraction. Typically the count-rate on the detector was 10/sup 6/ x-rays/sec and a total exposure of a few seconds was needed to record the weak diffraction from muscle. This compares with usual exposure times of several hours using a rotating anode generator and film.

  17. Synchrotron X-Ray Reciprocal Space Mapping, Topography and Diffraction Resolution Studies of Macromolecular Crystal Quality

    Science.gov (United States)

    Boggon, T. J.; Helliwell, J. R.; Judge, Russell A.; Siddons, D. P.; Snell, Edward H.; Stojanoff, V.

    2000-01-01

    A comprehensive study of microgravity and ground grown chicken egg white lysozyme crystals is presented using synchrotron X-ray reciprocal space mapping, topography techniques and diffraction resolution. Microgravity crystals displayed, on average, reduced intrinsic mosaicities but no differences in terms of stress over their earth grown counterparts. Topographic analysis revealed that in the microgravity case the majority of the crystal was contributing to the peak of the reflection at the appropriate Bragg angle. In the earth case at the diffraction peak only a small volume of the crystal contributed to the intensity. The techniques prove to be highly complementary with the reciprocal space mapping providing a quantitative measure of the crystal mosaicity and stress (or variation in lattice spacing) and topography providing a qualitative overall assessment of the crystal in terms of its X-ray diffraction properties. Structural data collection was also carried out both at the synchrotron and in the laboratory.

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

    DEFF Research Database (Denmark)

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

    2014-01-01

    X-ray diffraction is a superior technique for structural characterization of crystalline matter. Here we review the use of in situ powder X-ray diffraction (PXD) mainly for real-time studies of solid/gas reactions, data analysis and the extraction of valuable knowledge of structural, chemical...... and physical properties. Furthermore, the diffraction data may also provide knowledge on reaction mechanisms, kinetics and thermodynamic properties. Thus, in situ PXD simultaneously provides properties as a function of pressure, temperature and/or time at different length scales, i.e. nanoscale structural data...... and bulk sample properties. Initially, a brief description of experimental and methodological details is provided, followed by a variety of examples of different designs of experiments and methods of data analysis. Additionally, it is discussed how a range of physical properties can be accessed...

  19. Nondestructive evaluation of fatigue damage in aluminum 2024 by x-ray diffraction

    Science.gov (United States)

    Ferguson, Milton W.

    1994-01-01

    Aluminum alloys are widely used in the automobile and aerospace industries. This is due to their attractive low density-high modulus and low density-high strength characteristics. Unfortunately, cyclic stress-strain deformations alter the microstructure of aluminum alloys when they are placed into service. These structural changes can lead to fatigue damage and ultimately service failure. Since x-ray diffraction analysis is known to be a sensitive nondestructive indicator of structural changes due to deformations, this technique is being used to evaluate changes in the microstructure of cycled aluminum 2024 commercial alloys. Line shapes, widths, and positions in an x-ray diffraction pattern depend on microstructural properties such as grain size, grain orientation, residual stress, microstrain, etc. Changes in the microstructure due to fatigue will appear as changes in the diffraction pattern. One parameter used to characterize a reflection in a diffraction pattern is the full width at half maximum (FWHM). Preliminary x-ray diffraction results on cycled Al 2024 indicate that the (111) and (222) reflections of the matrix phase do not show any variations in the FWHM due to an increase in the fatigue cycles. However, the FWHM of the (200) and (400) reflections of the same phase unexpectedly showed a dramatic decrease. These results can be interpreted as due to the relaxation of some initial nonuniform residual stresses in the matrix phase lattice. Further work is in progress to evaluate the FWHM of the second phase of the cycled alloys.

  20. Strain fields in crystalline solids: prediction and measurement of X- ray diffraction patterns and electron diffraction contrast images

    NARCIS (Netherlands)

    Bor, Teunis Cornelis

    2000-01-01

    Lattice imperfections, such as dislocations and misfitting particles, shift and/or broaden X-ray diffraction (XRD) line profiles. Most of the present analysis methods of the shift and broadening of XRD line profiles do not provide the characteristics of lattice imperfections. The main part of this t

  1. JMFA2—a graphically interactive Java program that fits microfibril angle X-ray diffraction data

    Science.gov (United States)

    Steve P. Verrill; David E. Kretschmann; Victoria L. Herian

    2006-01-01

    X-ray diffraction techniques have the potential to decrease the time required to determine microfibril angles dramatically. In this paper, we discuss the latest version of a curve-fitting toll that permits us to reduce the time required to evaluate MFA X-ray diffraction patterns. Further, because this tool reflects the underlying physics more accurately than existing...

  2. Imaging in 3D under pressure: a decade of high-pressure X-ray microtomography development at GSECARS

    Science.gov (United States)

    Yu, Tony; Wang, Yanbin; Rivers, Mark L.

    2016-12-01

    The high-pressure X-ray microtomography (HPXMT) apparatus has been operating at the GeoSoilEnviroCARS (GSECARS) bending magnet beamline at the Advanced Photon Source since 2005. By combining the powerful synchrotron X-ray source and fast switching between white (for X-ray diffraction) and monochromatic (for absorption imaging) modes, this technique provides the high-pressure community with a unique opportunity to image the three-dimensional volume, texture, and microstructure of materials under high pressure and temperature. The ability to shear the sample with unlimited strain by twisting the two opposed anvils in the apparatus allows shear deformation studies under extreme pressure and temperature to be performed. HPXMT is a powerful tool for studying the physical properties of both crystalline and non-crystalline materials under high pressure and high temperature. Over the past 10 years, continuous effort has been put into technical development, modifications to improve the overall performance, and additional probing techniques to meet users' needs. Here, we present an up-to-date report on the HPXMT system, a brief review of some of its many exciting scientific applications, and a discussion of future developments.

  3. Coherent convergent-beam time-resolved X-ray diffraction

    Science.gov (United States)

    Spence, John C. H.; Zatsepin, Nadia A.; Li, Chufeng

    2014-01-01

    The use of coherent X-ray lasers for structural biology allows the use of nanometre diameter X-ray beams with large beam divergence. Their application to the structure analysis of protein nanocrystals and single particles raises new challenges and opportunities. We discuss the form of these coherent convergent-beam (CCB) hard X-ray diffraction patterns and their potential use for time-resolved crystallography, normally achieved by Laue (polychromatic) diffraction, for which the monochromatic laser radiation of a free-electron X-ray laser is unsuitable. We discuss the possibility of obtaining single-shot, angle-integrated rocking curves from CCB patterns, and the dependence of the resulting patterns on the focused beam coordinate when the beam diameter is larger or smaller than a nanocrystal, or smaller than one unit cell. We show how structure factor phase information is provided at overlapping interfering orders and how a common phase origin between different shots may be obtained. Their use in refinement of the phase-sensitive intensity between overlapping orders is suggested. PMID:24914153

  4. Coherent convergent-beam time-resolved X-ray diffraction.

    Science.gov (United States)

    Spence, John C H; Zatsepin, Nadia A; Li, Chufeng

    2014-07-17

    The use of coherent X-ray lasers for structural biology allows the use of nanometre diameter X-ray beams with large beam divergence. Their application to the structure analysis of protein nanocrystals and single particles raises new challenges and opportunities. We discuss the form of these coherent convergent-beam (CCB) hard X-ray diffraction patterns and their potential use for time-resolved crystallography, normally achieved by Laue (polychromatic) diffraction, for which the monochromatic laser radiation of a free-electron X-ray laser is unsuitable. We discuss the possibility of obtaining single-shot, angle-integrated rocking curves from CCB patterns, and the dependence of the resulting patterns on the focused beam coordinate when the beam diameter is larger or smaller than a nanocrystal, or smaller than one unit cell. We show how structure factor phase information is provided at overlapping interfering orders and how a common phase origin between different shots may be obtained. Their use in refinement of the phase-sensitive intensity between overlapping orders is suggested. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

  5. Mobile Biplane X-Ray Imaging System for Measuring 3D Dynamic Joint Motion During Overground Gait.

    Science.gov (United States)

    Guan, Shanyuanye; Gray, Hans A; Keynejad, Farzad; Pandy, Marcus G

    2016-01-01

    Most X-ray fluoroscopy systems are stationary and impose restrictions on the measurement of dynamic joint motion; for example, knee-joint kinematics during gait is usually measured with the subject ambulating on a treadmill. We developed a computer-controlled, mobile, biplane, X-ray fluoroscopy system to track human body movement for high-speed imaging of 3D joint motion during overground gait. A robotic gantry mechanism translates the two X-ray units alongside the subject, tracking and imaging the joint of interest as the subject moves. The main aim of the present study was to determine the accuracy with which the mobile imaging system measures 3D knee-joint kinematics during walking. In vitro experiments were performed to measure the relative positions of the tibia and femur in an intact human cadaver knee and of the tibial and femoral components of a total knee arthroplasty (TKA) implant during simulated overground gait. Accuracy was determined by calculating mean, standard deviation and root-mean-squared errors from differences between kinematic measurements obtained using volumetric models of the bones and TKA components and reference measurements obtained from metal beads embedded in the bones. Measurement accuracy was enhanced by the ability to track and image the joint concurrently. Maximum root-mean-squared errors were 0.33 mm and 0.65° for translations and rotations of the TKA knee and 0.78 mm and 0.77° for translations and rotations of the intact knee, which are comparable to results reported for treadmill walking using stationary biplane systems. System capability for in vivo joint motion measurement was also demonstrated for overground gait.

  6. The 3D-architecture of individual free silver nanoparticles captured by X-ray scattering

    Science.gov (United States)

    Barke, Ingo; Hartmann, Hannes; Rupp, Daniela; Flückiger, Leonie; Sauppe, Mario; Adolph, Marcus; Schorb, Sebastian; Bostedt, Christoph; Treusch, Rolf; Peltz, Christian; Bartling, Stephan; Fennel, Thomas; Meiwes-Broer, Karl-Heinz; Möller, Thomas

    2015-02-01

    The diversity of nanoparticle shapes generated by condensation from gaseous matter reflects the fundamental competition between thermodynamic equilibration and the persistence of metastable configurations during growth. In the kinetically limited regime, intermediate geometries that are favoured only in early formation stages can be imprinted in the finally observed ensemble of differently structured specimens. Here we demonstrate that single-shot wide-angle scattering of femtosecond soft X-ray free-electron laser pulses allows three-dimensional characterization of the resulting metastable nanoparticle structures. For individual free silver particles, which can be considered frozen in space for the duration of photon exposure, both shape and orientation are uncovered from measured scattering images. We identify regular shapes, including species with fivefold symmetry and surprisingly large aspect ratio up to particle radii of the order of 100 nm. Our approach includes scattering effects beyond Born’s approximation and is remarkably efficient—opening up new routes in ultrafast nanophysics and free-electron laser science.

  7. 3D Quantitative Analysis of Graphite Morphology in Ductile Cast Iron by X-ray Microtomography

    Science.gov (United States)

    Yin, Yajun; Tu, Zhixin; Zhou, Jianxin; Zhang, Dongqiao; Wang, Min; Guo, Zhao; Liu, Changchang; Chen, Xiang

    2017-08-01

    In this article, X-ray microtomography and color metallographic techniques have been used to perform three-dimensional quantitative characterization of graphite nodule morphology in a step-shaped ductile cast iron casting. Statistical analyses of the graphite nodule count, diameter, sphericity, and spatial distribution have been processed for three samples in detail. The results reveal that graphite nodules in ductile cast iron can be categorized into two categories. The first types are nodules located in eutectic cells (NIECs), and the other one refers to nodules located between the eutectic cells (NBECs). The NIECs possess a larger average diameter but smaller sphericity compared with the NBECs, and the sphericity decreases along with the increasing of diameter. The increasing casting thickness results in an increasing count and percentage of NBECs. In addition, most nodules are NIECs in thin walls instead of NBECs in thick walls. Nonuniform spatial distributions of graphite nodules caused by the existence of NBECs have been found to become more obvious along with the increase of cast thickness.

  8. Study of transmission grating diffraction efficiencies for soft X-ray

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Tansmission grating spectrometers are extensively used tomeasure absolute X-ray spectra in a photon-energy rangebelow 1000 eV. The transmission grating, as its dispersive element, must be calibrated to obtain its diffraction efficiencies.Calibrations of absolute diffraction efficiencies of the transmissiongrating at photon energy of 844 eV have been carried out onBeijing Synchrotron Radiation Facility. With the aid of gratingmodel, all of the grating structure parameters have been determinedand the absolute diffraction efficiencies in a photon-energy rangebelow 2000 eV have also been calculated and discussed.

  9. New diagnostic for X-ray diffraction measurements at extra-solar planets conditions (Invited)

    Science.gov (United States)

    Coppari, F.; Smith, R.; Eggert, J.; Rygg, J. R.; Lazicki, A.; Hawreliak, J.; Wang, J.; Duffy, T. S.; Hicks, D. G.; Boehly, T.; Collins, G. W.

    2013-12-01

    A method for obtaining powder diffraction data on dynamically-compressed solids at multi-megabar pressures has been implemented at the OMEGA Laser Facility [1]. We use laser-driven ramp-compression to generate pressures well within the multi-megabar regime. The drive laser pulse shape is designed so to avoid generation of lots of heating (as in shock-compression) so that the material stays into the solid state. Quasi-monochromatic x-ray radiation is generated by illumination of a metallic foil by laser beams and the diffraction patterns are recorded in transmission geometry by image plates. Simultaneous velocimetry measurements using VISAR allow pressure estimation. This diagnostic has been used to study the structure and phase transitions of a variety of materials (low and high-Z), including Ta, Sn and Mo. We have also studied elements and compounds relevant to geophysics and planetary science at unprecedented high pressures, providing experimental constraints to the equations of states of matter at conditions previously accessible to theoretical simulations only. Performing experiments at the pressure and temperature conditions expected in the interiors of massive planets is of fundamental importance for constraining models describing their interior structure and evolution [2]. These models are currently based on extrapolation of lower pressure-temperature experiments and untested theoretical simulations, resulting in large uncertainties [3]. Here I will present results obtained on MgO, Fe and preliminary analysis of recent FeO data. MgO has been ramp-compressed up to 9 Mbar and diffraction measurements provided the first structural evidence for the occurrence of the B1-B2 phase transition at 6 Mbar [4]. Fe has been studied up to 5 Mbar and the stability of the ɛ phase (hcp-Fe) has been demonstrated by x-ray diffraction measurements. Ramp-compression of FeO in the 3 and 7 Mbar pressure regime significantly extended the knowledge of the phase diagram of this

  10. Simulations of in situ x-ray diffraction from uniaxially compressed highly textured polycrystalline targets

    Energy Technology Data Exchange (ETDEWEB)

    McGonegle, David, E-mail: d.mcgonegle1@physics.ox.ac.uk; Wark, Justin S.; Higginbotham, Andrew [Department of Physics, Clarendon Laboratory University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Milathianaki, Despina [Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Remington, Bruce A. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

    2015-08-14

    A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments are becoming increasingly sophisticated, there has been little work on exploiting the textured nature of polycrystalline targets to gain information on sample response. Here, we describe how to generate simulated x-ray diffraction patterns from materials with an arbitrary texture function subject to a general deformation gradient. We will present simulations of Debye-Scherrer x-ray diffraction from highly textured polycrystalline targets that have been subjected to uniaxial compression, as may occur under planar shock conditions. In particular, we study samples with a fibre texture, and find that the azimuthal dependence of the diffraction patterns contains information that, in principle, affords discrimination between a number of similar shock-deformation mechanisms. For certain cases, we compare our method with results obtained by taking the Fourier transform of the atomic positions calculated by classical molecular dynamics simulations. Illustrative results are presented for the shock-induced α–ϵ phase transition in iron, the α–ω transition in titanium and deformation due to twinning in tantalum that is initially preferentially textured along [001] and [011]. The simulations are relevant to experiments that can now be performed using 4th generation light sources, where single-shot x-ray diffraction patterns from crystals compressed via laser-ablation can be obtained on timescales shorter than a phonon period.

  11. Goniometer-based femtosecond X-ray diffraction of mutant 30S ribosomal subunit crystals

    Directory of Open Access Journals (Sweden)

    E. Han Dao

    2015-07-01

    Full Text Available In this work, we collected radiation-damage-free data from a set of cryo-cooled crystals for a novel 30S ribosomal subunit mutant using goniometer-based femtosecond crystallography. Crystal quality assessment for these samples was conducted at the X-ray Pump Probe end-station of the Linac Coherent Light Source (LCLS using recently introduced goniometer-based instrumentation. These 30S subunit crystals were genetically engineered to omit a 26-residue protein, Thx, which is present in the wild-type Thermus thermophilus 30S ribosomal subunit. We are primarily interested in elucidating the contribution of this ribosomal protein to the overall 30S subunit structure. To assess the viability of this study, femtosecond X-ray diffraction patterns from these crystals were recorded at the LCLS during a protein crystal screening beam time. During our data collection, we successfully observed diffraction from these difficult-to-grow 30S ribosomal subunit crystals. Most of our crystals were found to diffract to low resolution, while one crystal diffracted to 3.2 Å resolution. These data suggest the feasibility of pursuing high-resolution data collection as well as the need to improve sample preparation and handling in order to collect a complete radiation-damage-free data set using an X-ray Free Electron Laser.

  12. Identification of inversion domains in KTiOPO{sub 4}via resonant X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Fabrizi, Federica, E-mail: federica.fabrizi@diamond.ac.uk [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE (United Kingdom); Thomas, Pamela A. [Department of Physics, University of Warwick, Coventry, CV4 7AL (United Kingdom); Nisbet, Gareth; Collins, Stephen P. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE (United Kingdom)

    2015-05-14

    The identification and high-resolution mapping of the absolute crystallographic structure in multi-domain ferroelectric KTiOPO{sub 4} is achieved through a novel synchrotron X-ray diffraction method. On a single Bragg reflection, the intensity ratio in resonant diffraction below and above the Ti absorption K edge demonstrates a domain contrast up to a factor of ∼270, thus implementing a non-contact, non-destructive imaging technique with micrometre spatial resolution, applicable to samples of arbitrarily large dimensions. A novel method is presented for the identification of the absolute crystallographic structure in multi-domain polar materials such as ferroelectric KTiOPO{sub 4}. Resonant (or ‘anomalous’) X-ray diffraction spectra collected across the absorption K edge of Ti (4.966 keV) on a single Bragg reflection demonstrate a huge intensity ratio above and below the edge, providing a polar domain contrast of ∼270. This allows one to map the spatial domain distribution in a periodically inverted sample, with a resolution of ∼1 µm achieved with a microfocused beam. This non-contact, non-destructive technique is well suited for samples of large dimensions (in contrast with traditional resonant X-ray methods based on diffraction from Friedel pairs), and its potential is particularly relevant in the context of physical phenomena connected with an absence of inversion symmetry, which require characterization of the underlying absolute atomic structure (such as in the case of magnetoelectric coupling and multiferroics)

  13. Influence of preferred orientation of minerals in the mineralogical identification process by X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Amanda Luzia da; Oliveira, Arno H. de [Universidade Federal de Minas Gerais (DEN/UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia Nuclear; Fernandes, Maria Lourdes Souza, E-mail: lourdesfernandes@ufmg.b [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Inst. de GeoCiencias. Centro de Pesquisa Professor Manoel Teixeira da Costa

    2011-07-01

    The X-ray diffraction corresponds to one of the main techniques for characterization of microstructures in crystalline materials, widely used in the identification of minerals in samples of geological materials. Some minerals have a property called preferred orientation which corresponds to the orientation tendency of the crystals of ground minerals to orient themselves in certain directions according to a preferred crystallographic plane. This property affects the analysis by X-ray diffraction and this fact can generates erroneous results in the characterization. The purpose of this study is to identify the negative influence of the preferred orientation of a mineral in the generation of diffraction patterns obtained in the X-ray diffraction analysis. For this, a sample of muscovite, a mineral of mica group, was prepared by two different methods: the frontal method and the back loading method. In the analysis using the frontal method there was displacement of the XRD pattern in the abscissa axis, where it was observed changes in interplanar distance and angle 2{theta} values, which are essential information for characterization and identification of a mineral. In the analysis using the back loading method, the generated XRD pattern showed no displacement in the axis of abscissas and showed interplanar distance and angle 2{theta} values closer to the real values for the muscovite. The results showed that one can only make improvements to the process of sample preparation minimizing the effect of preferred orientation in the analysis. There is no need to change conditions of diffractometer measurements. (author)

  14. X-ray diffraction imaging of metal–oxide epitaxial tunnel junctions made by optical lithography: use of focused and unfocused X-ray beams

    Science.gov (United States)

    Mocuta, Cristian; Barbier, Antoine; Stanescu, Stefan; Matzen, Sylvia; Moussy, Jean-Baptiste; Ziegler, Eric

    2013-01-01

    X-ray diffraction techniques are used in imaging mode in order to characterize micrometre-sized objects. The samples used as models are metal–oxide tunnel junctions made by optical lithography, with lateral sizes ranging from 150 µm down to 10 µm and various shapes: discs, squares and rectangles. Two approaches are described and compared, both using diffraction contrast: full-field imaging (topography) and raster imaging (scanning probe) using a micrometre-sized focused X-ray beam. It is shown that the full-field image gives access to macroscopic distortions (e.g. sample bending), while the local distortions, at the micrometre scale (e.g. tilts of the crystalline planes in the vicinity of the junction edges), can be accurately characterized only using focused X-ray beams. These local defects are dependent on the junction shape and larger by one order of magnitude than the macroscopic curvature of the sample. PMID:23412494

  15. Bayesian orientation estimate and structure information from sparse single-molecule x-ray diffraction images.

    Science.gov (United States)

    Walczak, Michał; Grubmüller, Helmut

    2014-08-01

    We developed a Bayesian method to extract macromolecular structure information from sparse single-molecule x-ray free-electron laser diffraction images. The method addresses two possible scenarios. First, using a "seed" structural model, the molecular orientation is determined for each of the provided diffraction images, which are then averaged in three-dimensional reciprocal space. Subsequently, the real space electron density is determined using a relaxed averaged alternating reflections algorithm. In the second approach, the probability that the "seed" model fits to the given set of diffraction images as a whole is determined and used to distinguish between proposed structures. We show that for a given x-ray intensity, unexpectedly, the achievable resolution increases with molecular mass such that structure determination should be more challenging for small molecules than for larger ones. For a sufficiently large number of recorded photons (>200) per diffraction image an M^{1/6} scaling is seen. Using synthetic diffraction data for a small glutathione molecule as a challenging test case, successful determination of electron density was demonstrated for 20000 diffraction patterns with random orientations and an average of 82 elastically scattered and recorded photons per image, also in the presence of up to 50% background noise. The second scenario is exemplified and assessed for three biomolecules of different sizes. In all cases, determining the probability of a structure given set of diffraction patterns allowed successful discrimination between different conformations of the test molecules. A structure model of the glutathione tripeptide was refined in a Monte Carlo simulation from a random starting conformation. Further, effective distinguishing between three differently arranged immunoglobulin domains of a titin molecule and also different states of a ribosome in a tRNA translocation process was demonstrated. These results show that the proposed method is

  16. X-Ray Diffraction and Fluorescence Measurements for In-situ Planetary Instruments

    Science.gov (United States)

    Hansford, G.; Hill, K. S.; Vernon, D.; Ambrosi, R. M.; Bridges, J.; Hutchinson, I.

    2010-12-01

    The X-Ray Diffraction (XRD) instruments are core components of the forthcoming NASA Mars Science Laboratory (MSL) and ESA/NASA EXOMARS missions and will provide the first demonstrations of an XRF/XRD instrument’s capabilities in-situ on an extraterrestrial planetary surface. The University of Leicester team is part of the Italy-UK collaboration that is responsible for building the ExoMars X-Ray Diffraction instrument, Mars XRD. The ExoMars X-ray diffraction instrument incorporates an 55-Fe radioisotope source and three fixed-position CCDs to simultaneously acquire an X-Ray fluorescence spectrum and a diffraction pattern providing a measurement of both elemental and mineralogical composition [1]. The CCDs cover an angular range from 6 to 65-deg enabling the analysis of silicates, from clays, or other phyllosilicates characterised by varying d-spacings, to oxides, and carbonates or evaporites. The identification of hydrous minerals may help identify past Martian hydrothermal systems capable of preserving traces of life. Here we present some initial findings from XRF and XRD tests carried out at the University of Leicester using an 55-Fe source and X-ray sensitive CCD [1]. The XRD/XRD test system consists of a single CCD on a motorised arm, an 55-Fe X-ray source, source collimator and a sample table which approximately replicate the reflection geometry of the XRD instrument. It was used to test geological reference standard materials and Martian analogues. Incidence angle and CCD angles on both the diffraction and fluorescence results were evaluated. A key area of interest is the effect of sample roughness on the XRD/XRF results. We present results from testing pressed powder pellet samples of varying surface roughness, and a comparison with model results [2]. So far we have found that increased roughness causes a reduced intensity at lower take-off angles. Several methods for measuring surface roughness of the samples have been used including an Alicona Infinite

  17. Very High Resolution Solar X-ray Imaging Using Diffractive Optics

    Science.gov (United States)

    Dennis, B. R.; Skinner, G. K.; Li, M. J.; Shih, A. Y.

    2012-01-01

    This paper describes the development of X-ray diffractive optics for imaging solar flares with better than 0.1 arcsec angular resolution. X-ray images with this resolution of the greater than or equal to 10 MK plasma in solar active regions and solar flares would allow the cross-sectional area of magnetic loops to be resolved and the coronal flare energy release region itself to be probed. The objective of this work is to obtain X-ray images in the iron-line complex at 6.7 keV observed during solar flares with an angular resolution as fine as 0.1 arcsec - over an order of magnitude finer than is now possible. This line emission is from highly ionized iron atoms, primarily Fe xxv, in the hottest flare plasma at temperatures in excess of approximately equal to 10 MK. It provides information on the flare morphology, the iron abundance, and the distribution of the hot plasma. Studying how this plasma is heated to such high temperatures in such short times during solar flares is of critical importance in understanding these powerful transient events, one of the major objectives of solar physics.We describe the design, fabrication, and testing of phase zone plate X-ray lenses with focal lengths of approximately equal to 100 m at these energies that would be capable of achieving these objectives. We show how such lenses could be included on a two-spacecraft formation-flying mission with the lenses on the spacecraft closest to the Sun and an X-ray imaging array on the second spacecraft in the focal plane approximately equal to 100 m away. High resolution X-ray images could be obtained when the two spacecraft are aligned with the region of interest on the Sun. Requirements and constraints for the control of the two spacecraft are discussed together with the overall feasibility of such a formation-flying mission.

  18. Diffraction theory applied to X-ray imaging with clessidra prism array lenses.

    Science.gov (United States)

    De Caro, Liberato; Jark, Werner

    2008-03-01

    Clessidra (hourglass) lenses, i.e. two large prisms each composed of smaller identical prisms or prism-like objects, can focus X-rays. As these lenses have a periodic structure perpendicular to the incident radiation, they will diffract the beam like a diffraction grating. Refraction in the prisms is responsible for blazing, i.e. for the concentration of the diffracted intensity into only a few diffraction peaks. It is found that the diffraction of coherent radiation in clessidra lenses needs to be treated in the Fresnel, or near-field, regime. Here, diffraction theory is applied appropriately to the clessidra structure in order to show that blazing in a perfect structure with partly curved prisms can indeed concentrate the diffracted intensity into only one peak. When the lens is entirely composed of identical perfect prisms, small secondary peaks are found. Nevertheless, the loss in intensity in the central peak will not lead to any significant widening of this peak. Clessidras with perfect prisms illuminated by full coherent X-ray radiation can then provide spatial resolutions, which are consistent with the increased aperture, and which are far below the height of the single small prisms.

  19. X-ray diffraction and Raman studies on Ho: Eu2O3

    Science.gov (United States)

    Irshad, K. A.; Chandra Shekar, N. V.; Ravindran, T. R.; Srihari, V.; Pandey, K. K.

    2017-01-01

    In this paper the structural parameters of mixed rare earth sesquioxides (Eu1-xHox)2O3 (0 ≤ x ≤ 1) is reported for the first time. The oxide samples are characterized by angle dispersive X-ray diffraction (ADXRD) and Raman scattering techniques. ADXRD measurements confirmed the formation of single phase in the cubic bixbyite structure with space group Ia-3. Complete miscibility of the two components is confirmed by the Vegard's law. A random distribution of the two cations in the two rare earth (RE) ion sites is observed. Symmetry modes are assigned for the observed 13 out of 22 expected Raman bands and the dependency of average cationic radii, RRE, is discussed. A low frequency band shows an anomalous mode softening with decrease in Eu content. This mode disappears above x = 0.8, which coincides with a distinct slope change observed in the RE(24d) positional coordinate estimated from refined x-ray diffraction data.

  20. Microfibril angle variability in Masson Pine (Pinus massoniana Lamb.) using X-ray diffraction

    Institute of Scientific and Technical Information of China (English)

    Zhang Bo; Fei Ben-hua; Yu Yan; Zhao Rong-jun

    2007-01-01

    The microfibril angle of fiber walls is an ultra-microscopic feature affecting the performance of wood products. It is therefore essential to get more definitive information to improve selection and utilization. X-ray diffraction is a rapid method for measuring micro fibril angles. In this paper, the variability of microfibril angle in plantation-grown Masson pine was investigated by peak-fitting method. This method was compared with the traditional hand-drawn method, 40% peak height method and half peak height method. X-ray diffraction measurements indicated that the microfibril angle changed as a function of the position in the tree.The mean micro fibril angle decreased more gradually as the distance increased from the pith and reached the same level in mature wood. The microfibril angle also seemed to decrease clearly from the base upward. Differences of angle-intensity curves between heartwood and sapwood were also examined.

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

    Directory of Open Access Journals (Sweden)

    Honghui Cheng

    2017-02-01

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

  2. Mössbauer, magnetization and X-ray diffraction characterization methods for iron oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Gabbasov, Raul, E-mail: gabbasov-raul@yandex.ru [National Research Center “Kurchatov Institute”, Moscow (Russian Federation); Polikarpov, Michael; Cherepanov, Valery [National Research Center “Kurchatov Institute”, Moscow (Russian Federation); Chuev, Michael; Mischenko, Iliya; Lomov, Andrey [Institute of Physics and Technology, Russian Academy of Sciences, Moscow (Russian Federation); Wang, Andrew [Ocean NanoTech. Springdale, AR (United States); Panchenko, Vladislav [National Research Center “Kurchatov Institute”, Moscow (Russian Federation)

    2015-04-15

    Water soluble magnetite iron oxide nanoparticles with oleic polymer coating and average diameters in the range of 5–25 nm, previously determined by TEM, were characterized using Mössbauer, magnetization and X-ray diffraction measurements. Comparative analysis of the results demonstrated a large diversity of magnetic relaxation regimes. Analysis showed the presence of an additional impurity component in the 25 nm nanoparticles, with principally different magnetic nature at the magnetite core. In some cases, X-ray diffraction measurements were unable to estimate the size of the magnetic core and Mössbauer data were necessary for the correct interpretation of the experimental results. - Highlights: • KV parameter, obtained from Mössbauer spectra can be used for nanoparticle size characterization. • Mössbauer spectra of 10–25 nm nanoparticles can be effectively described by ferromagnetic model. • Surface impurities can cause incorrect nanoparticle size determination.

  3. Ultrafast lattice response of photoexcited thin films studied by X-ray diffraction

    Directory of Open Access Journals (Sweden)

    Daniel Schick

    2014-11-01

    Full Text Available Using ultrafast X-ray diffraction, we study the coherent picosecond lattice dynamics of photoexcited thin films in the two limiting cases, where the photoinduced stress profile decays on a length scale larger and smaller than the film thickness. We solve a unifying analytical model of the strain propagation for acoustic impedance-matched opaque films on a semi-infinite transparent substrate, showing that the lattice dynamics essentially depend on two parameters: One for the spatial profile and one for the amplitude of the strain. We illustrate the results by comparison with high-quality ultrafast X-ray diffraction data of SrRuO3 films on SrTiO3 substrates.

  4. Complementing high-throughput X-ray powder diffraction data with quantum-chemical calculations

    DEFF Research Database (Denmark)

    Naelapaa, Kaisa; van de Streek, Jacco; Rantanen, Jukka

    2012-01-01

    High-throughput crystallisation and characterisation platforms provide an efficient means to carry out solid-form screening during the pre-formulation phase. To determine the crystal structures of identified new solid phases, however, usually requires independent crystallisation trials to produce...... single crystals or bulk samples of sufficient quantity to carry out high-quality X-ray diffraction measurements. This process could be made more efficient by a robust procedure for crystal structure determination directly from high-throughput X-ray powder diffraction (XRPD) data. Quantum......-chemical calculations based on dispersion-corrected density functional theory (DFT-D) have now become feasible for typical small organic molecules used as active pharmaceutical ingredients. We demonstrate how these calculations can be applied to complement high-throughput XRPD data by determining the crystal structure...

  5. Introduction to Advanced X-ray Diffraction Techniques for Polymeric Thin Films

    Directory of Open Access Journals (Sweden)

    Nicodemus Edwin Widjonarko

    2016-11-01

    Full Text Available X-ray diffraction has been a standard technique for investigating structural properties of materials. However, most common applications in the organic materials community have been restricted to either chemical identification or qualitative strain analysis. Moreover, its use for polymeric thin films has been challenging because of the low structure factor of carbon and the thin film nature of the sample. Here, we provide a short review of advanced X-ray diffraction (XRD techniques suitable for polymeric thin films, including the type of analysis that can be done and measurement geometries that would compensate low signals due to low carbon structure factor and the thin film nature of the sample. We will also briefly cover the χ -pole figure for texture analysis of ultra-thin film that has recently become commonly used. A brief review of XRD theory is also presented.

  6. Crystallographic Characterization of Extraterrestrial Materials by Energy-Scanning X-ray Diffraction

    Science.gov (United States)

    Hagiya, Kenji; Mikouchi, Takashi; Ohsumi, Kazumasa; Terada, Yasuko; Yagi, Naoto; Komatsu, Mutsumi; Yamaguchi, Shoki; Hirata, Arashi; Kurokawa, Ayaka; Zolensky, Michael E. (Principal Investigator)

    2016-01-01

    We have continued our long-term project using X-ray diffraction to characterize a wide range of extraterrestrial samples. The stationary sample method with polychromatic X-rays is advantageous because the irradiated area of the sample is always same and fixed, meaning that all diffraction spots occur from the same area of the sample, however, unit cell parameters cannot be directly obtained by this method though they are very important for identification of mineral and for determination of crystal structures. In order to obtain the cell parameters even in the case of the sample stationary method, we apply energy scanning of a micro-beam of monochromatic SR at SPring-8.

  7. In situ x-ray diffraction measurements of the capillary fountain jet produced via ultrasonic atomization

    Science.gov (United States)

    Yano, Yohko F.; Douguchi, Junya; Kumagai, Atsushi; Iijima, Takao; Tomida, Yukinobu; Miyamoto, Toshiaki; Matsuura, Kazuo

    2006-11-01

    In situ x-ray diffraction measurements were carried out for investigating the liquid structure in the ultrasonic fountain jet to consider the mechanism of the "ultrasonic ethanol separation" reported by Sato et al. [J. Chem. Phys. 114, 2382 (2001)]. For pure liquids (water and ethanol), it was found that the high frequency ultrasound does not affect the liquid structure microscopically. For the 20mol% ethanol-water mixture, the estimated ethanol mole fraction in the ultrasonic fountain jet by using the position of the main maximum in the x-ray diffraction profile coincided with that in the reservoir. This result suggests that the ethanol separation is not caused by any distorted liquid structure under the ultrasound irradiation and occurs when or after the generation of the liquid droplet mist.

  8. Positional order in Langmuir monolayers: An X-ray diffraction study

    DEFF Research Database (Denmark)

    Kaganer, V.M.; Brezesinski, G.; Möhwald, H.

    1999-01-01

    The structural phase transition from the hexagonal to a distorted-hexagonal (centered rectangular) phase (the LS-S transition) in Langmuir monolayers of octadecanol is studied in a grazing incidence x-ray diffraction experiment. We find algebraic decay of positional correlations, which suggests...... solid-like order in both phases at the distances accessible in the present x-ray diffraction experiment. The transition is accompanied by strong positional disorder, which is evident from the drastic increase of the exponent eta to values eta>2 close to the transition. Remarkably, on approaching...... the transition, the continuous increase of eta is apparent already at 20 degrees C above it. The positional disorder is attributed to elastic distortions around pretransitional fluctuations. [S1063-651X(99)10102-8]....

  9. Crystallization and preliminary X-ray diffraction analysis of maize aldose reductase

    Energy Technology Data Exchange (ETDEWEB)

    Kiyota, Eduardo [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil); Centro de Biologia Molecular e Engenharia Genética, Universidade Estadual de Campinas, Campinas-SP (Brazil); Sousa, Sylvia Morais de [Centro de Biologia Molecular e Engenharia Genética, Universidade Estadual de Campinas, Campinas-SP (Brazil); Santos, Marcelo Leite dos; Costa Lima, Aline da [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil); Menossi, Marcelo [Departamento de Genética e Evolução, Instituto de Biologia, Universidade Estadual de Campinas, Campinas-SP (Brazil); Yunes, José Andrés [Laboratório de Biologia Molecular, Centro Infantil Boldrini, Campinas-SP (Brazil); Aparicio, Ricardo, E-mail: aparicio@iqm.unicamp.br [Laboratório de Biologia Estrutural, Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas-SP (Brazil)

    2007-11-01

    Preliminary X-ray diffraction studies of apo maize aldose reductase at 2.0 Å resolution are reported. Maize aldose reductase (AR) is a member of the aldo-keto reductase superfamily. In contrast to human AR, maize AR seems to prefer the conversion of sorbitol into glucose. The apoenzyme was crystallized in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 47.2, b = 54.5, c = 100.6 Å and one molecule in the asymmetric unit. Synchrotron X-ray diffraction data were collected and a final resolution limit of 2.0 Å was obtained after data reduction. Phasing was carried out by an automated molecular-replacement procedure and structural refinement is currently in progress. The refined structure is expected to shed light on the functional/enzymatic mechanism and the unusual activities of maize AR.

  10. Modelling studies of carbon nanotubes-Comparison of simulations and X-ray diffraction data

    Energy Technology Data Exchange (ETDEWEB)

    Koloczek, J. [A. Chelkowski Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Hawelek, L. [A. Chelkowski Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Burian, A. [A. Chelkowski Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland)]. E-mail: burian@us.edu.pl; Dore, J.C. [School of Physical Sciences, University of Kent, Canterbury CT2 7NR (United Kingdom); Honkimaeki, V. [European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble (France); Kyotani, T. [Institute of Multidisciplinary Research and Advanced Materials, Tohoku University, Katahira, Sendai 980-8577 (Japan)

    2005-09-29

    Computer simulations of the powder diffraction profiles for multi-wall carbon nanotubes were performed using the Debye equation including a generalized Debye-Waller factor. The X-ray diffraction data were recorded using high-energy synchrotron radiation and an image plate as a detector for the carbon nanotubes produced by a template chemical vapour deposition (CVD) process. The computed and experimental structure factors were converted to real-space via the Fourier transform. The results of computation, obtained in the form of the structure factor and the pair correlation function, are compared with the X-ray experimental data in both reciprocal and real-space. The nanotube model consisting of five layers with the length of 12 A has proved to account very well for the experimental data.

  11. X-ray diffraction, Raman and photoacoustic studies of InSb nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Ersching, K., E-mail: kleb85@hotmail.com [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, 88040-900 Florianopolis, Santa Catarina (Brazil); Campos, C.E.M.; Lima, J.C. de; Grandi, T.A. [Departamento de Fisica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, 88040-900 Florianopolis, Santa Catarina (Brazil); Souza, S.M. [Departamento de Engenharia Mecanica, Universidade Federal de Santa Catarina, Campus Universitario Trindade, 88040-900 Florianopolis, Santa Catarina (Brazil); Pizani, P.S. [Departamento de Fisica, Universidade Federal de Sao Carlos, 13 565-905 Sao Carlos, SP (Brazil)

    2010-08-01

    Zinc blend InSb nanocrystals were generated by mechanical alloying and X-ray diffraction, Raman spectroscopy and photoacoustic absorption spectroscopy techniques were used to study its structural, optical and thermal properties. Annealed nanocrystals were also studied. Residual amorphous and minority crystalline (Sb and In{sub 2}O{sub 3}) phases were also observed for mechanical alloyed and thermal annealed samples, respectively. The structural parameters, phase fractions, average crystallite sizes and microstrains of all crystalline phases found in the samples were obtained from Rietveld analyses of their X-ray diffraction patterns. Raman results for both as-milled and annealed samples show the Raman active LO and TO modes of the zinc blend InSb phase and Sb-rich regions. The photoacoustic results of both samples were satisfactorily explained by thermal bending heat transfer mechanism and an increase on effective thermal diffusivity coefficient was observed after annealing.

  12. X-ray absorption microtomography (microCT) and small beam diffraction mapping of sea urchin teeth.

    Science.gov (United States)

    Stock, S R; Barss, J; Dahl, T; Veis, A; Almer, J D

    2002-07-01

    Two noninvasive X-ray techniques, laboratory X-ray absorption microtomography (microCT) and X-ray diffraction mapping, were used to study teeth of the sea urchin Lytechinus variegatus. MicroCT revealed low attenuation regions at near the tooth's stone part and along the carinar process-central prism boundary; this latter observation appears to be novel. The expected variation of Mg fraction x in the mineral phase (calcite, Ca(1-x)Mg(x)CO(3)) cannot account for all of the linear attenuation coefficient decrease in the two zones: this suggested that soft tissue is localized there. Transmission diffraction mapping (synchrotron X-radiation, 80.8 keV, 0.1 x 0.1mm(2) beam area, 0.1mm translation grid, image plate area detector) simultaneously probed variations in 3-D and showed that the crystal elements of the "T"-shaped tooth were very highly aligned. Diffraction patterns from the keel (adaxial web) and from the abaxial flange (containing primary plates and the stone part) differed markedly. The flange contained two populations of identically oriented crystal elements with lattice parameters corresponding to x=0.13 and x=0.32. The keel produced one set of diffraction spots corresponding to the lower x. The compositions were more or less equivalent to those determined by others for camarodont teeth, and the high Mg phase is expected to be disks of secondary mineral epitaxially related to the underlying primary mineral element. Lattice parameter gradients were not noted in the keel or flange. Taken together, the microCT and diffraction results indicated that there was a band of relatively high protein content, of up to approximately 0.25 volume fraction, in the central part of the flange and paralleling its adaxial and abaxial faces. X-ray microCT and microdiffraction data used in conjunction with protein distribution data will be crucial for understanding the properties of various biocomposites and their mechanical functions.

  13. Quantitative firing transformations of a triaxial ceramic by X-ray diffraction methods

    Energy Technology Data Exchange (ETDEWEB)

    Conconi, M.S.; Gauna, M.R.; Serra, M.F. [Centro de Tecnologia de Recursos Minerales y Ceramica (CETMIC), Buenos Aires (Argentina); Suarez, G.; Aglietti, E.F.; Rendtorff, N.M., E-mail: rendtorff@cetmic.unlp.edu.ar [Universidad Nacional de La Plata (UNLP), Buenos Aires (Argentina). Fac. de Ciencias Exactas. Dept. de Quimica

    2014-10-15

    The firing transformations of traditional (clay based) ceramics are of technological and archaeological interest, and are usually reported qualitatively or semi quantitatively. These kinds of systems present an important complexity, especially for X-ray diffraction techniques, due to the presence of fully crystalline, low crystalline and amorphous phases. In this article we present the results of a qualitative and quantitative X-ray diffraction Rietveld analysis of the fully crystalline (kaolinite, quartz, cristobalite, feldspars and/or mullite), the low crystalline (metakaolinite and/or spinel type pre-mullite) and glassy phases evolution of a triaxial (clay-quartz-feldspar) ceramic fired in a wide temperature range between 900 and 1300 deg C. The employed methodology to determine low crystalline and glassy phase abundances is based in a combination of the internal standard method and the use of a nanocrystalline model where the long-range order is lost, respectively. A preliminary sintering characterization was carried out by contraction, density and porosity evolution with the firing temperature. Simultaneous thermo-gravimetric and differential thermal analysis was carried out to elucidate the actual temperature at which the chemical changes occur. Finally, the quantitative analysis based on the Rietveld refinement of the X-ray diffraction patterns was performed. The kaolinite decomposition into metakaolinite was determined quantitatively; the intermediate (980 deg C) spinel type alumino-silicate formation was also quantified; the incongruent fusion of the potash feldspar was observed and quantified together with the final mullitization and the amorphous (glassy) phase formation.The methodology used to analyze the X-ray diffraction patterns proved to be suitable to evaluate quantitatively the thermal transformations that occur in a complex system like the triaxial ceramics. The evaluated phases can be easily correlated with the processing variables and materials

  14. Secondary Extinction in Cylindrical and Spherical Crystals for X-Ray and Neutron Diffraction

    Institute of Scientific and Technical Information of China (English)

    胡华琛; 李兆桓; 杨斌; 沈彩万; 乔英

    2001-01-01

    The distribution of the reflection power ratio for a neutron or x-ray diffracted from a cylindrical crystal immersed in an homogenous incident beam is obtained by the numerical solution of the transfer equations for the first time. The profile well reflects all the physical properties of the absorption and extinction behaviour in the crystals. A systematic investigation of the secondary extinction for cylindrical and spherical crystals was carried out based on these results.

  15. Quantitative firing transformations of a triaxial ceramic by X-ray diffraction methods

    Directory of Open Access Journals (Sweden)

    M. S. Conconi

    2014-12-01

    Full Text Available The firing transformations of traditional (clay based ceramics are of technological and archeological interest, and are usually reported qualitatively or semiquantitatively. These kinds of systems present an important complexity, especially for X-ray diffraction techniques, due to the presence of fully crystalline, low crystalline and amorphous phases. In this article we present the results of a qualitative and quantitative X-ray diffraction Rietveld analysis of the fully crystalline (kaolinite, quartz, cristobalite, feldspars and/or mullite, the low crystalline (metakaolinite and/or spinel type pre-mullite and glassy phases evolution of a triaxial (clay-quartz-feldspar ceramic fired in a wide temperature range between 900 and 1300 ºC. The employed methodology to determine low crystalline and glassy phase abundances is based in a combination of the internal standard method and the use of a nanocrystalline model where the long-range order is lost, respectively. A preliminary sintering characterization was carried out by contraction, density and porosity evolution with the firing temperature. Simultaneous thermo-gravimetric and differential thermal analysis was carried out to elucidate the actual temperature at which the chemical changes occur. Finally, the quantitative analysis based on the Rietveld refinement of the X-ray diffraction patterns was performed. The kaolinite decomposition into metakaolinite was determined quantitatively; the intermediate (980 ºC spinel type alumino-silicate formation was also quantified; the incongruent fusion of the potash feldspar was observed and quantified together with the final mullitization and the amorphous (glassy phase formation.The methodology used to analyze the X-ray diffraction patterns proved to be suitable to evaluate quantitatively the thermal transformations that occur in a complex system like the triaxial ceramics. The evaluated phases can be easily correlated with the processing variables and

  16. Sample cell for in-field X-ray diffraction experiments

    Directory of Open Access Journals (Sweden)

    Viktor Höglin

    2015-01-01

    Full Text Available A sample cell making it possible to perform synchrotron radiation X-ray powder diffraction experiments in a magnetic field of 0.35 T has been constructed. The device is an add-on to an existing sample cell and contains a strong permanent magnet of NdFeB-type. Experiments have shown that the setup is working satisfactory making it possible to perform in-field measurements.

  17. Structural instability of EuTiO3 from X-ray powder diffraction

    OpenAIRE

    Köhler, J; Dinnebier, R.; Bussmann-Holder, A.

    2012-01-01

    We have recently predicted and subsequently verified experimentally by specific heat measurements that EuTiO3 undergoes a structural phase transition at elevated temperature TS = 282 K. The origin of the phase transition has been attributed to the softening of a transverse acoustic mode stemming from an oxygen octahedral rotation analogous to SrTiO3. Here we demonstrate that the theoretical interpretation is correct by using high resolution laboratory X-ray powder diffraction which evidences ...

  18. The application of a novel detector for X-ray diffraction study of breast cancer

    OpenAIRE

    Zheng, Y.

    2016-01-01

    Current imaging methods - mammography, digital breast tomosynthesis, ultrasound and magnetic resonance images (MRI), fail to provide an accurate breast tumour size measurement. X-ray diffraction (XRD) can provide better contrast than mammography and digital breast tomosynthesis, better spatial resolution than ultrasound and is more cost effective than MRI. However, its use is limited by high radiation dose. Previous breast XRD research often fails to investigate samples with a realistic thick...

  19. Structural studies of BSCCO/Ag-tapes by high-energy synchrotron X-ray diffraction

    DEFF Research Database (Denmark)

    Poulsen, H.F.; Frello, T.; Andersen, N.H.

    1998-01-01

    High-energy (100 keV) synchrotron X-ray diffraction has been identified as a powerful tool for characterizing texture and structural phases,within Ag clad high T-c, superconducting tapes of the (Bi,Pb)-Sr-Ca-Cu-O (BSSCO) type during synthesis of (Bi,Pb)(2)Sr2Ca2Cu3Ox (Bi-2223) from (Bi,Pb)(2)Sr2CaCu...

  20. In-lab X-ray fluorescence and diffraction techniques for pathological calcifications

    OpenAIRE

    Rouzière, Stéphan; Bazin, Dominique; Daudon, Michel

    2016-01-01

    International audience; If imaging by physical methods is probably the best well-known link between physics and medicine, other ways such as X-ray fluorescence and diffraction techniques give significant information to clinicians. In this contribution, we would like to assess different results obtained through such techniques on three main problems in urology namely Randall's plaque, brushite kidney stones and phase conversion between weddellite and whewellite. Randall's plaque is a mineral d...

  1. Nitrogen-gas-stream cryostat for general X-ray diffraction studies

    Energy Technology Data Exchange (ETDEWEB)

    Cosier, J.; Glazer, A.M.

    1986-04-01

    A continuous nitrogen-flow cooling device, generally applicable to X-ray diffraction studies, is described. The device works in the range 77.4 to 323.0 K with a precision of +-0.1 K and a liquid-nitrogen constant consumption rate of 0.5 l h/sup -1/ over the whole temperature range. The supply vessel is unpressurised, so that refilling can be done without any observable influence on the cooling of the sample.

  2. Guiding synchrotron X-ray diffraction by multimodal video-rate protein crystal imaging

    OpenAIRE

    Newman, Justin A.; ZHANG, Shijie; Sullivan, Shane Z.; Dow, Ximeng Y.; Becker, Michael; Sheedlo, Michael J.; Stepanov, Sergey; Carlsen, Mark S.; Everly, R. Michael; Das, Chittaranjan; Fischetti, Robert F.; Simpson, Garth J.

    2016-01-01

    Synchronous digitization, in which an optical sensor is probed synchronously with the firing of an ultrafast laser, was integrated into an optical imaging station for macromolecular crystal positioning prior to synchrotron X-ray diffraction. Using the synchronous digitization instrument, second-harmonic generation, two-photon-excited fluorescence, one-photon-excited fluorescence, two-photon-excited ultraviolet fluorescence and bright field by laser transmittance were all acquired with perfect...

  3. Analysis of diatomite sediments from a paleolake in central Mexico using PIXE, X-ray tomography and X-ray diffraction

    Science.gov (United States)

    Miranda, J.; Oliver, A.; Vilaclara, G.; Rico-Montiel, R.; Macías, V. M.; Ruvalcaba, J. L.; Zenteno, M. A.

    1994-03-01

    Diatomite samples from paleolake Tlaxcala, in Central Mexico, have been analyzed using proton induced X-ray emission (PIXE), X-ray tomography and X-ray diffraction. Chiseled blocks were scanned with a 0.7 MeV proton beam, 0.1 mm in diameter, in 0.25 mm steps across the sediments. X-ray tomography with the same step sizes was then applied, in order to compare the concentrations obtained with PIXE and the material density in the sediment layers. Three different kinds of layers were found, related to their colors: dark, white and gray. The composition of the layers is fairly uniform. The dark zone is enriched in Al, K, Ca, Ti, Mn, and Fe. This dark layer may be associated with eruptions of the Malitzin volcano. The white zone is found to contain diatomite of a high purity, with traces of K, Ca, and Fe, while the gray zones are also Al enriched, suggesting a clay contamination of the diatomite. X-ray diffraction of materials obtained from each main layer showed that the white and gray phases are highly amorphous, with a small component of cristobalite, as expected from the diatom sediment diagenesis, while the dark layer contains also important amounts of anorthite and orthoclase, supporting the volcanic origin of this layer.

  4. X-ray induced chemical reaction revealed by in-situ X-ray diffraction and scanning X-ray microscopy in 15 nm resolution (Conference Presentation)

    Science.gov (United States)

    Ge, Mingyuan; Liu, Wenjun; Bock, David; De Andrade, Vincent; Yan, Hanfei; Huang, Xiaojing; Marschilok, Amy; Takeuchi, Esther; Xin, Huolin; Chu, Yong S.

    2016-09-01

    The detection sensitivity of synchrotron-based X-ray techniques has been largely improved due to the ever increasing source brightness, which have significantly advanced ex-situ and in-situ research for energy materials, such as lithium-ion batteries. However, the strong beam-matter interaction arisen from the high beam flux can significantly modify the material structure. The parasitic beam-induced effect inevitably interferes with the intrinsic material property, which brings difficulties in interpreting experimental results, and therefore requires comprehensive evaluation. Here we present a quantitative in-situ study of the beam-effect on one electrode material Ag2VO2PO4 using four different X-ray probes with different radiation dose rate. The material system we reported exhibits interesting and reversible radiation-induced thermal and chemical reactions, which was further evaluated under electron microscopy to illustrate the underlying mechanism. The work we presented here will provide a guideline in using synchrotron X-rays to distinguish the materials' intrinsic behavior from extrinsic structure changed induced by X-rays, especially in the case of in-situ and operando study where the materials are under external field of either temperature or electric field.

  5. Advancements in X-ray waveguides and their applications in coherent diffraction imaging

    Energy Technology Data Exchange (ETDEWEB)

    Pelliccia, D. [Institut fuer Synchrotronstrahlung-ANKA Forschungszentrum Karlsruhe Herman-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany)], E-mail: daniele.pelliccia@iss.fzk.de; Bukreeva, I. [Istituto di Fotonica e Nanotecnologie-CNR, Via Cineto Romano 42, 00156 Roma (Italy); Giannini, C.; De Caro, L. [Istituto di Cristallografia-CNR, Via Amendola 122/O, 70126 Bari (Italy); Cedola, A.; Scarinci, F.; Lagomarsino, S. [Istituto di Fotonica e Nanotecnologie-CNR, Via Cineto Romano 42, 00156 Roma (Italy)

    2009-10-15

    X-ray planar waveguides are currently used tools, in synchrotron radiation facilities, to produce a coherent beam with typical dimensions in the range of tens or hundreds of nanometers. The properties of waveguided beams such as divergence and coherence turns out to be very interesting for several applications both in synchrotron and in laboratory sources. These features will be reviewed in the present paper for different coupling methods of the radiation field with the waveguide channel. Details of fabrication procedures and experimental results concerning front coupling waveguide are reported. The waveguide properties can be estimated from the far-field diffracted beam by a Fourier analysis giving the autocorrelation function of the exit field. Due to the high degree of coherence of the exiting beam, X-ray waveguides can be successfully exploited in coherent diffraction imaging experiments. We review results concerning Fresnel coherent diffraction imaging experiments with hard X-rays, using planar waveguides as optical elements in one and two dimensions.

  6. Femtosecond Diffractive Imaging with a Soft-X-Ray Free-Electron Laser

    Energy Technology Data Exchange (ETDEWEB)

    Chapman, Henry N.; /LLNL, Livermore /UC, Davis; Barty, Anton: AUTHOR = Bogan, Michael J.; /LLNL, Livermore; Boutet, Sebastian; /LLNL, Livermore /SLAC /Uppsala U., Biomed. Ctr.; Frank, Matthias; Hau-Riege, Stefan P.; /LLNL, Livermore; Marchesini, Stefano; /LLNL, Livermore /UC, Davis; Woods, Bruce W.; Bajt, Sasa; Benner, W.Henry; /LLNL, Livermore; London, Richard A.; /LLNL, Livermore /UC, Davis; Plonjes, Elke; Kuhlmann, Marion; Treusch, Rolf; Dusterer, Stefan; Tschentscher, Thomas; Schneider, Jochen R.; /CERN; Spiller, Eberhard; /Spiller X-ray Optics, Livermore; Moller, Thomas; Bostedt, Christoph; Hoener, Matthias; /Berlin, Tech. U.; Shapiro, David A.; /UC, Davis /SLAC /Uppsala U. /LLNL, Livermore /Uppsala U. /Uppsala U. /SLAC /Uppsala U.

    2010-10-07

    Theory predicts that with an ultrashort and extremely bright coherent X-ray pulse, a single diffraction pattern may be recorded from a large macromolecule, a virus, or a cell before the sample explodes and turns into a plasma. Here we report the first experimental demonstration of this principle using the FLASH soft X-ray free-electron laser. An intense 25 fs, 4 x 10{sup 13} W/cm{sup 2} pulse, containing 10{sup 12} photons at 32 nm wavelength, produced a coherent diffraction pattern from a nano-structured non-periodic object, before destroying it at 60,000 K. A novel X-ray camera assured single photon detection sensitivity by filtering out parasitic scattering and plasma radiation. The reconstructed image, obtained directly from the coherent pattern by phase retrieval through oversampling, shows no measurable damage, and extends to diffraction-limited resolution. A three-dimensional data set may be assembled from such images when copies of a reproducible sample are exposed to the beam one by one.

  7. Study of microstructure in vanadium–palladium alloys by X-ray diffraction technique

    Indian Academy of Sciences (India)

    J Ghosh; S K Chattopadhyay; A K Meikap; S K Chatterjee; P Chatterjee

    2007-10-01

    Present study considers microstructural characterization of vanadium-based palladium (V–Pd) alloys, which are widely used in marine environment due to their high corrosion resistance. The X-ray diffraction line profile analysis (XRDLPA) have been used to assess the microstructure in body centred cubic (bcc) V–Pd alloys having four different nominal compositions in wt.%. X-ray diffraction line broadening analysis on V–Pd alloys has been performed by using different methods like the Warren–Averbach, double-Voigt and Rietveld methods. Finally microstructural defect parameters such as domain size (), r.m.s. microstrain 〈 2 〉1/2, twin fault ('), spacing fault () and deformation stacking fault () were evaluated in these alloys by Fourier line shape analysis using Rietveld method in which the X-ray diffraction profiles of these alloys were described by the pseudo-Voigt function to fit the experimental data. From analysis it has been observed that twin fault, ', and the spacing fault, , are totally absent in these bcc alloy systems because the twin fault, ', has been observed to be either negative or very small (within experimental error limit) for these alloy systems and the spacing fault, , appears to be negative. This analysis also revealed that the deformation stacking fault, , is significantly present in this alloy system and increases with Pd content.

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

    Indian Academy of Sciences (India)

    Binoy K Saikia; Rajani K Boruah; Pradip K Gogoi

    2009-01-01

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

  9. Femtosecond Diffractive Imaging with a Soft-X-ray Free-Electron Laser

    Energy Technology Data Exchange (ETDEWEB)

    Chapman, H N; Barty, A; Bogan, M; Boutet, S; Frank, M; Hau-Riege, S P; Marchesini, S; Woods, B; Bajt, S; Benner, W H; London, R; Ploenjes-Palm, E; Kuhlmann, M; Treusch, R; Dusterer, S; Tschentscher, T; Schneider, J; Spiller, E; Moller, T; Bostedt, C; Hoener, M; Shapiro, D; Hodgson, K O; der Spoel, D v; Burmeister, F; Bergh, M; Caleman, C; Huldt, G; Seibert, M; Maia, F; Lee, R; Szoke, A; Timneanu, N; Hajdu, J

    2006-03-13

    Theory predicts that with an ultrashort and extremely bright coherent X-ray pulse, a single diffraction pattern may be recorded from a large macromolecule, a virus, or a cell before the sample explodes and turns into a plasma. Here we report the first experimental demonstration of this principle using the FLASH soft X-ray free-electron laser. An intense 25 fs, 4 x 10{sup 13} W/cm{sup 2} pulse, containing 10{sup 12} photons at 32 nm wavelength, produced a coherent diffraction pattern from a nano-structured non-periodic object, before destroying it at 60,000 K. A novel X-ray camera assured single photon detection sensitivity by filtering out parasitic scattering and plasma radiation. The reconstructed image, obtained directly from the coherent pattern by phase retrieval through oversampling, shows no measurable damage, and extends to diffraction-limited resolution. A three-dimensional data set may be assembled from such images when copies of a reproducible sample are exposed to the beam one by one.

  10. Modelisation of strains measured by X-ray diffraction in composites with spherical particles

    Energy Technology Data Exchange (ETDEWEB)

    Durand, L.; Lavelle, B.; Drira-Halouani, R.; Altibelli, A. [CNRS, Toulouse (France). CEMES

    2000-07-01

    In a particle composite, elaboration residual stresses have two main origins : differences between thermal expansion coefficients of particles and matrix on the one hand, and volume changes induced by reactions at particles / matrix interface on the other hand. We have compared calculated thermal stresses, and experimental measures on two composites, one presenting an interface reactivity and the other none. The two composites with a nickel matrix and spherical particles either of silica or of alumina have been sintered at 1400 C and analyzed between room temperature and 240 C by X-ray diffraction (Cu K{alpha} radiation). In the semi-infinite composite model, spherical particles have been distributed at the points of a simple cubic lattice. Modelised thickness is larger in comparison of the thickness analyzed by X-ray diffraction. Calculations are based on elastic theory and the difference of coefficients of thermal expansion between the matrix and the particles. Materials are supposed isotropic. At a given temperature, the strain to be observed by X-ray diffraction in a given directions calculated from the distribution of strains in matrix; absorption phenomena are taken into account. Effects of the free surface and of interfacial reactivity are thus shown off. (orig.)

  11. X-Ray Diffraction Analysis of NLO Crystals: Traditional Applications and More New Opportunities

    Science.gov (United States)

    Antipin, Mikhail Yu.; Clark, Ronald D.; Nesterov, Vladimir N.

    1998-01-01

    Single crystal X-ray diffraction analysis is one of the more important methods for the molecular and crystal structure determination of matter and therefore it has a great importance in material science including design and engineering of different compounds with non-linear optical (NLO) properties. It was shown in our previous publications that this method provides unique information about molecular structure of NLO compounds, their crystal symmetry and crystal packing arrays, molecular conformation and geometries and many other structural and electronic characteristics that are important for understanding the nature of NLO properties of solids. A very new application of the X-ray diffraction method is related to analysis of the electron density distribution p(r) in crystals and some of its characteristics (atomic and group charges, dipole and higher multipole moments, etc.), that may be obtained directly form the diffraction measurements. In the present work, we will discuss our preliminary low temperature high-resolution X-ray data for the m-nitroaniline (mNA) single crystal (VI). This is one of the "classical" organic NLO materials and electron density distribution analysis in this simple compound has a great scientific interest.

  12. Time-resolved x-ray diffraction techniques for bulk polycrystalline materials under dynamic loading.

    Science.gov (United States)

    Lambert, P K; Hustedt, C J; Vecchio, K S; Huskins, E L; Casem, D T; Gruner, S M; Tate, M W; Philipp, H T; Woll, A R; Purohit, P; Weiss, J T; Kannan, V; Ramesh, K T; Kenesei, P; Okasinski, J S; Almer, J; Zhao, M; Ananiadis, A G; Hufnagel, T C

    2014-09-01

    We have developed two techniques for time-resolved x-ray diffraction from bulk polycrystalline materials during dynamic loading. In the first technique, we synchronize a fast detector with loading of samples at strain rates of ~10(3)-10(4) s(-1) in a compression Kolsky bar (split Hopkinson pressure bar) apparatus to obtain in situ diffraction patterns with exposures as short as 70 ns. This approach employs moderate x-ray energies (10-20 keV) and is well suited to weakly absorbing materials such as magnesium alloys. The second technique is useful for more strongly absorbing materials, and uses high-energy x-rays (86 keV) and a fast shutter synchronized with the Kolsky bar to produce short (~40 μs) pulses timed with the arrival of the strain pulse at the specimen, recording the diffraction pattern on a large-format amorphous silicon detector. For both techniques we present sample data demonstrating the ability of these techniques to characterize elastic strains and polycrystalline texture as a function of time during high-rate deformation.

  13. Measuring the x-ray resolving power of bent potassium acid phthalate diffraction crystalsa)

    Science.gov (United States)

    Haugh, M. J.; Wu, M.; Jacoby, K. D.; Loisel, G. P.

    2014-11-01

    This report presents the results from measuring the X-ray resolving power of a curved potassium acid phthalate (KAP(001)) spectrometer crystal using two independent methods. It is part of a continuing effort to measure the fundamental diffraction properties of bent crystals that are used to study various characteristics of high temperature plasmas. Bent crystals like KAP(001) do not usually have the same diffraction properties as corresponding flat crystals. Models that do exist to calculate the effect of bending the crystal on the diffraction properties have simplifying assumptions and their accuracy limits have not been adequately determined. The type of crystals that we measured is being used in a spectrometer on the Z machine at Sandia National Laboratories in Albuquerque, New Mexico. The first technique for measuring the crystal resolving power measures the X-ray spectral line width of the characteristic lines from several metal anodes. The second method uses a diode X-ray source and a double crystal diffractometer arrangement to measure the reflectivity curve of the KAP(001) crystal. The width of that curve is inversely proportional to the crystal resolving power. The measurement results are analyzed and discussed.

  14. Measuring the X-ray Resolving Power of Bent Potassium Acid Phthalate Diffraction Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Haugh, M. J. [NSTec; Wu, M. [SNL; Jacoby, K. D. [NSTec; Loisel, G. P. [SNL

    2014-11-01

    This report presents the results from measuring the X-ray resolving power of a curved potassium acid phthalate (KAP(001)) spectrometer crystal using two independent methods. It is part of a continuing effort to measure the fundamental diffraction properties of bent crystals that are used to study various characteristics of high temperature plasmas. Bent crystals like KAP(001) do not usually have the same diffraction properties as corresponding flat crystals. Models that do exist to calculate the effect of bending the crystal on the diffraction properties have simplifying assumptions and their accuracy limits have not been adequately determined. The type of crystals that we measured is being used in a spectrometer on the Z machine at Sandia National Laboratories (SNL) in Albuquerque, NM. The first technique for measuring the crystal resolving power measures the X-ray spectral line width of the characteristic lines from several metal anodes. The second method uses a diode X-ray source and a dual goniometer arrangement to measure the reflectivity curve of the KAP(001) crystal. The width of that curve is inversely proportional to the crystal resolving power. The measurement results are analyzed and discussed.

  15. Time-resolved x-ray diffraction techniques for bulk polycrystalline materials under dynamic loading

    Energy Technology Data Exchange (ETDEWEB)

    Lambert, P. K.; Hustedt, C. J.; Zhao, M.; Ananiadis, A. G.; Hufnagel, T. C. [Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Vecchio, K. S. [Department of NanoEngineering, University of California San Diego, La Jolla, California 92093 (United States); Huskins, E. L. [Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee 37830 (United States); US Army Research Laboratory, Aberdeen Proving Ground, Aberdeen, Maryland 21005 (United States); Casem, D. T. [US Army Research Laboratory, Aberdeen Proving Ground, Aberdeen, Maryland 21005 (United States); Gruner, S. M. [Department of Physics, Cornell University, Ithaca, New York 14853 (United States); Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, New York 14853 (United States); Kavli Institute at Cornell for Nanoscale Science, Cornell University, Ithaca, New York 14853 (United States); Tate, M. W.; Philipp, H. T.; Purohit, P.; Weiss, J. T. [Department of Physics, Cornell University, Ithaca, New York 14853 (United States); Woll, A. R. [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, New York 14853 (United States); Kannan, V.; Ramesh, K. T. [Department of Mechanical Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Kenesei, P.; Okasinski, J. S.; Almer, J. [X-ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2014-09-15

    We have developed two techniques for time-resolved x-ray diffraction from bulk polycrystalline materials during dynamic loading. In the first technique, we synchronize a fast detector with loading of samples at strain rates of ∼10{sup 3}–10{sup 4} s{sup −1} in a compression Kolsky bar (split Hopkinson pressure bar) apparatus to obtain in situ diffraction patterns with exposures as short as 70 ns. This approach employs moderate x-ray energies (10–20 keV) and is well suited to weakly absorbing materials such as magnesium alloys. The second technique is useful for more strongly absorbing materials, and uses high-energy x-rays (86 keV) and a fast shutter synchronized with the Kolsky bar to produce short (∼40 μs) pulses timed with the arrival of the strain pulse at the specimen, recording the diffraction pattern on a large-format amorphous silicon detector. For both techniques we present sample data demonstrating the ability of these techniques to characterize elastic strains and polycrystalline texture as a function of time during high-rate deformation.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-01-15

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

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

    Science.gov (United States)

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

    2017-09-01

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

  18. Personalized x-ray reconstruction of the proximal femur via a non-rigid 2D-3D registration

    Science.gov (United States)

    Yu, Weimin; Zysset, Philippe; Zheng, Guoyan

    2015-03-01

    In this paper we present a new approach for a personalized X-ray reconstruction of the proximal femur via a non-rigid registration of a 3D volumetric template to 2D calibrated C-arm images. The 2D-3D registration is done with a hierarchical two-stage strategy: the global scaled rigid registration stage followed by a regularized deformable b-spline registration stage. In both stages, a set of control points with uniform spacing are placed over the domain of the 3D volumetric template and the registrations are driven by computing updated positions of these control points, which then allows to accurately register the 3D volumetric template to the reference space of the C-arm images. Comprehensive experiments on simulated images, on images of cadaveric femurs and on clinical datasets are designed and conducted to evaluate the performance of the proposed approach. Quantitative and qualitative evaluation results are given, which demonstrate the efficacy of the present approach.

  19. Cloning, expression, purification and crystallization as well as X-ray fluorescence and preliminary X-ray diffraction analyses of human ADP-ribosylhydrolase 1.

    Science.gov (United States)

    Kernstock, Stefan; Koch-Nolte, Friedrich; Mueller-Dieckmann, Jochen; Weiss, Manfred S; Mueller-Dieckmann, Christoph

    2009-05-01

    Human ADP-ribosylhydrolase 1 (hARH1, ADPRH) cleaves the glycosidic bond of ADP-ribose attached to an Arg residue of a protein. hARH1 has been cloned, expressed heterologously in Escherichia coli, purified and crystallized in complex with K(+) and ADP. The orthorhombic crystals contained one monomer per asymmetric unit, exhibited a solvent content of 43% and diffracted X-rays to a resolution of 1.9 A. A prerequisite for obtaining well diffracting crystals was the performance of X-ray fluorescence analysis on poorly diffracting apo hARH1 crystals, which revealed the presence of trace amounts of K(+) in the crystal. Adding K-ADP to the crystallization cocktail then resulted in a crystal of different morphology and with dramatically improved diffraction properties.

  20. Portable apparatus for in situ x-ray diffraction and fluorescence analyses of artworks.

    Science.gov (United States)

    Eveno, Myriam; Moignard, Brice; Castaing, Jacques

    2011-10-01

    A portable X-ray fluorescence/X-ray diffraction (XRF/XRD) system for artwork studies has been designed constructed and tested. It is based on Debye Scherrer XRD in reflection that takes advantage of many recent improvements in the handling of X-rays (polycapillary optics; advanced two-dimensional detection). The apparatus is based on a copper anode air cooled X-ray source, and the XRD analysis is performed on a 5-20 μm thick layer from the object surface. Energy dispersive XRF elemental analysis can be performed at the same point as XRD, giving elemental compositions that support the interpretation of XRD diagrams. XRF and XRD analyses were tested to explore the quality and the limits of the analytical technique. The XRD diagrams are comparable in quality with diagrams obtained with conventional laboratory equipment. The mineral identification of materials in artwork is routinely performed with the portable XRF-XRD system. Examples are given for ceramic glazes containing crystals and for paintings where the determination of pigments is still a challenge for nondestructive analysis. For instance, lead compounds that provide a variety of color pigments can be easily identified as well as a pigment such as lapis lazuli that is difficult to identify by XRF alone. More than 70 works of art have been studied in situ in museums, monuments, etc. In addition to ceramics and paintings, these works include bronzes, manuscripts, etc., which permit improvement in the comprehension of ancient artistic techniques.

  1. 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...

  2. X-ray Emission Spectroscopy in Magnetic 3d-Transition Metals

    Energy Technology Data Exchange (ETDEWEB)

    Iota, V; Park, J; Baer, B; Yoo, C; Shen, G

    2003-11-18

    The application of high pressure affects the band structure and magnetic interactions in solids by modifying nearest-neighbor distances and interatomic potentials. While all materials experience electronic changes with increasing pressure, spin polarized, strongly electron correlated materials are expected to undergo the most dramatic transformations. In such materials, (d and f-electron metals and compounds), applied pressure reduces the strength of on-site correlations, leading to increased electron delocalization and, eventually, to loss of its magnetism. In this ongoing project, we study the electronic and magnetic properties of Group VIII, 3d (Fe, Co and Ni) magnetic transition metals and their compounds at high pressures. The high-pressure properties of magnetic 3d-transition metals and compounds have been studied extensively over the years, because of iron being a major constituent of the Earth's core and its relevance to the planetary modeling to understand the chemical composition, internal structure, and geomagnetism. However, the fundamental scientific interest in the high-pressure properties of magnetic 3d-electron systems extends well beyond the geophysical applications to include the electron correlation-driven physics. The role of magnetic interactions in the stabilization of the ''non-standard'' ambient pressure structures of Fe, Co and Ni is still incompletely understood. Theoretical studies have predicted (and high pressure experiments are beginning to show) strong correlations between the electronic structure and phase stability in these materials. The phase diagrams of magnetic 3d systems reflect a delicate balance between spin interactions and structural configuration. At ambient conditions, the crystal structures of {alpha}-Fe(bcc) and {var_epsilon}-Co(hcp) phases depart from the standard sequence (hcp {yields} bcc{yields} hcp {yields} fcc), as observed in all other non-magnetic transition metals with increasing the d

  3. X-ray diffraction studies on single and mixed confectionery fats using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    MacMillan, S.C.; Roberts, K.J.; Wells, M.; Polgreen, M.; Smith, I. [Heriot-Watt University, Edinburgh, (United Kingdom). Department of Mechanical and Chemical Engineering, Centre for Molecular and Interface Engineering

    1999-12-01

    Full text: Understanding and refining the molecular-scale processes involved in the manufacture of structured materials such as long-chain hydrocarbon compounds is important in many commercial areas such as the petrochemical, biochemical, food, pharmaceutical and soap industries. In such processes crystallisation is an important separation, purification and preparation technique. Despite this our knowledge of the crystallisation process itself is surprisingly limited. In order to improve the crystallisation of confectionery fats, the crystallisation of it`s main component, cocoa butter fat, must be properly understood. Cocoa butter fat can exhibit up to 6 polymorphic forms of different crystallographic structures with melting points varying from 17.3 deg C to 36.3 deg C. During the production of chocolate it is essential to control the polymorphic form of fats present, in order to produce a final product with the correct physical and rheological properties. Both shear rate and temperature are thought to play a crucial role in this process. The most widely used method for studying polymorphism is X-ray diffraction. Typical X-ray diffraction patterns of fats exhibit two groups of diffraction lines corresponding to the long and short spacings. The long spacings correspond to the planes formed by the methyl end groups and are dependent on the chain length and the angle of tilt of the component fatty acids of the glyceride molecules. The short spacings refer to the cross sectional packing of the hydrocarbon chain and are independent of the chain length. The relationship between crystallisation rate, polymorphic form, shear and the fat composition has for the first time been quantified, which will enable more accurate control of the polymorhic form in chocolate production. This has been achieved by developing an improved in-situ cell for X-ray studies. The X-ray studies are necessary for the examination of on-line studies under well controlled conditions of temperature

  4. 3-D reconstruction of an ancient Egyptian mummy using X-ray computer tomography.

    Science.gov (United States)

    Baldock, C; Hughes, S W; Whittaker, D K; Taylor, J; Davis, R; Spencer, A J; Tonge, K; Sofat, A

    1994-12-01

    Computer tomography has been used to image and reconstruct in 3-D an Egyptian mummy from the collection of the British Museum. This study of Tjentmutengebtiu, a priestess from the 22nd dynasty (945-715 BC) revealed invaluable information of a scientific, Egyptological and palaeopathological nature without mutilation and destruction of the painted cartonnage case or linen wrappings. Precise details on the removal of the brain through the nasal cavity and the viscera from the abdominal cavity were obtained. The nature and composition of the false eyes were investigated. The detailed analysis of the teeth provided a much closer approximation of age at death. The identification of materials used for the various amulets including that of the figures placed in the viscera was graphically demonstrated using this technique.

  5. Contour-based models for 3D binary reconstruction in X-ray tomography

    Science.gov (United States)

    Soussen, C.; Mohammad-Djafari, A.

    2001-05-01

    We study the reconstruction of a 3D compact homogeneous object lying inside a homogeneous background for computer aided design (CAD) or nondestructive testing (NDT) applications. Such a binary scene describes either a solid object or an homogeneous material in which a fault is sought. The goal in both cases is to reconstruct the shape of the scene from sparse radiographic data. This problem is under-determined and one needs to use all prior information about the scene to find a satisfactory solution. A natural approach is to model the exterior contour of the fault by a deformable geometric template, which we reconstruct directly from the radiographic data. In this communication, we give a synthetic view of these contour-based methods and compare their relative performances and limitations to recover complex faults. .

  6. X-ray diffraction of molybdenum under ramp compression to 1 TPa

    Science.gov (United States)

    Wang, Jue; Coppari, Federica; Smith, Raymond F.; Eggert, Jon H.; Lazicki, Amy E.; Fratanduono, Dayne E.; Rygg, J. Ryan; Boehly, Thomas R.; Collins, Gilbert W.; Duffy, Thomas S.

    2016-09-01

    Molybdenum (Mo) is a transition metal with a wide range of technical applications. There has long been strong interest in its high-pressure behavior, and it is often used as standard for high-pressure experiments. Combining powder x-ray diffraction and dynamic ramp compression, structural and equation of state data were collected for solid Mo to 1 TPa (10 Mbar). Diffraction results are consistent with Mo remaining in the body-centered-cubic structure into the TPa regime. Stress-density data show that Mo under ramp loading is less compressible than the room-temperature isotherm but more compressible than the single-shock Hugoniot.

  7. Crystallization and preliminary X-ray diffraction studies of ferredoxin reductase from Leptospira interrogans

    Energy Technology Data Exchange (ETDEWEB)

    Nascimento, Alessandro S.; Ferrarezi, Thiago [Instituto de Física de São Carlos, Universidade de São Paulo, Av. Trabalhador Saocarlense 400, São Carlos, SP, 13560-970 (Brazil); Catalano-Dupuy, Daniela L.; Ceccarelli, Eduardo A. [Facultad de Ciencias Bioquímicas y Farmacéuticas, Molecular Biology Division, Instituto de Biología Molecular y Celular de Rosario (IBR), CONICET, Universidad Nacional de Rosario, Suipacha 531, S2002LRK Rosario (Argentina); Polikarpov, Igor, E-mail: ipolikarpov@if.sc.usp.br [Instituto de Física de São Carlos, Universidade de São Paulo, Av. Trabalhador Saocarlense 400, São Carlos, SP, 13560-970 (Brazil)

    2006-07-01

    Crystals adequate for X-ray diffraction analysis have been prepared from L. interrogans ferredoxin-NADP{sup +} reductase. Ferredoxin-NADP{sup +} reductase (FNR) is an FAD-containing enzyme that catalyzes electron transfer between NADP(H) and ferredoxin. Here, results are reported of the recombinant expression, purification and crystallization of FNR from Leptospira interrogans, a parasitic bacterium of animals and humans. The L. interrogans FNR crystals belong to a primitive monoclinic space group and diffract to 2.4 Å resolution at a synchrotron source.

  8. Thickness measurement of GaN epilayer using high resolution X-ray diffraction technique

    Institute of Scientific and Technical Information of China (English)

    冯淦; 朱建军; 沈晓明; 张宝顺; 赵德刚; 王玉田; 杨辉; 梁骏吾

    2003-01-01

    In this paper we propose a new method for measuring the thickness of the GaN epilayer, by using the ratio of the integrated intensity of the GaN epilayer X-ray diffraction peaks to that of the sapphire substrate ones. This ratio shows a linear dependence on the GaN epilayer thickness up to 2 μm. The new method is more accurate and convenient than those of using the relationship between the integrated intensity of GaN epilayer diffraction peaks and the GaN thickness. Besides, it can eliminate the absorption effect of the GaN epilayer.

  9. Time-resolved coherent X-ray diffraction imaging of surface acoustic waves.

    Science.gov (United States)

    Nicolas, Jan-David; Reusch, Tobias; Osterhoff, Markus; Sprung, Michael; Schülein, Florian J R; Krenner, Hubert J; Wixforth, Achim; Salditt, Tim

    2014-10-01

    Time-resolved coherent X-ray diffraction experiments of standing surface acoustic waves, illuminated under grazing incidence by a nanofocused synchrotron beam, are reported. The data have been recorded in stroboscopic mode at controlled and varied phase between the acoustic frequency generator and the synchrotron bunch train. At each time delay (phase angle), the coherent far-field diffraction pattern in the small-angle regime is inverted by an iterative algorithm to yield the local instantaneous surface height profile along the optical axis. The results show that periodic nanoscale dynamics can be imaged at high temporal resolution in the range of 50 ps (pulse length).

  10. High-pressure X-ray diffraction studies on {beta}-Ni(OH){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Garg, Nandini; Karmakar, S.; Sharma, S.M.Surinder M.; Busseto, E.; Sikka, S.K

    2004-06-15

    Using in situ X-ray diffraction, we have investigated the high-pressure behavior of {beta}-Ni(OH){sub 2} upto 10 GPa. No phase transformation was observed in this pressure range. Our studies show that the diffraction peaks show inherent broadening on increase of pressure. This suggests that H-lattice may be already disordered at ambient conditions and further increase in pressure may increase the lattice disorder as observed in Co(OH){sub 2} (Phys. Rev. B 66 (2002) 134301)

  11. High resolution X-ray diffraction imaging of lead tin telluride

    Science.gov (United States)

    Steiner, Bruce; Dobbyn, Ronald C.; Black, David; Burdette, Harold; Kuriyama, Masao; Spal, Richard; Simchick, Richard; Fripp, Archibald

    1991-01-01

    High resolution X-ray diffraction images of two directly comparable crystals of lead tin telluride, one Bridgman-grown on Space Shuttle STS 61A and the other terrestrially Bridgman-grown under similar conditions from identical material, present different subgrain structure. In the terrestrial, sample 1 the appearance of an elaborate array of subgrains is closely associated with the intrusion of regions that are out of diffraction in all of the various images. The formation of this elaborate subgrain structure is inhibited by growth in microgravity.

  12. Understanding the instrumental profile of synchrotron radiation X-ray powder diffraction beamlines.

    Science.gov (United States)

    Rebuffi, Luca; Sánchez Del Río, Manuel; Busetto, Edoardo; Scardi, Paolo

    2017-05-01

    A Monte Carlo algorithm has been developed to calculate the instrumental profile function of a powder diffraction synchrotron beamline. Realistic models of all optical elements are implemented in a ray-tracing software. The proposed approach and the emerging paradigm have been investigated and verified for several existing X-ray powder diffraction beamlines. The results, which can be extended to further facilities, show a new and general way of assessing the contribution of instrumental broadening to synchrotron radiation data, based on ab initio simulations.

  13. [A quantitation method for andrographolide and dehydroandrographolide by X-ray powder diffraction Fourier fingerprint pattern technique].

    Science.gov (United States)

    Gong, Ning-Bo; Lü, Li-Juan; Liu, Chao; Ma, Lin; Chen, Ruo-Yun; Lü, Yang

    2010-05-01

    The powder X-ray diffraction Fourier fingerprint pattern technique was used to develop a new quantitation method for the analysis of andrographolide and dehydroandrographolide. And the high performance liquid chromatography method was used to evaluate the quantity of andrographolide and dehydroandrographolide. The relationship of diffraction peak intensity and content of andrographolide and dehydroandrographolide was investigated. The powder X-ray diffraction Fourier fingerprint pattern analysis technique can be used to evaluate the quantity of andrographolide and dehydroandrographolide in the herb simultaneously.

  14. Data processing software suite SITENNO for coherent X-ray diffraction imaging using the X-ray free-electron laser SACLA

    Science.gov (United States)

    Sekiguchi, Yuki; Oroguchi, Tomotaka; Takayama, Yuki; Nakasako, Masayoshi

    2014-01-01

    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. PMID:24763651

  15. The Study of Shock Waves and Laser Excited Lattice Dynamics using Ultrafast X-ray Diffraction

    Science.gov (United States)

    Funk, David J.; Hur, N.; Wark, J.

    2005-07-01

    We have studied the picosecond lattice dynamics of optically pumped hexagonal manganite LuMnO3 using ultrafast x-ray diffraction. The results show a shift and broadening of the diffraction curve due to the stimulated lattice expansion. To understand the transient response of the lattice, the measured time- and angle-resolved diffraction curves are compared with a theoretical calculation based on dynamical diffraction theory modified for the hexagonal crystal structure of LuMnO3. Our simulations reveal that a large coupling coefficient between the a-b plane and the c-axis (c13) is required to the data. We compare this result to our previous coherent phonon studies of LuMnO3 using optical pump-probe spectroscopy. We have also performed preliminary experiments of shock waves traversing thin (approximately one micron) metal single-crystals, characterizing the shock wave using ultrafast spatial interferometry and with ultrafast x-ray diffraction. A summary of our current results will be presented.

  16. Imaging whole Escherichia coli bacteria by using single-particle x-ray diffraction.

    Science.gov (United States)

    Miao, Jianwei; Hodgson, Keith O; Ishikawa, Tetsuya; Larabell, Carolyn A; LeGros, Mark A; Nishino, Yoshinori

    2003-01-07

    We report the first experimental recording, to our knowledge, of the diffraction pattern from intact Escherichia coli bacteria using coherent x-rays with a wavelength of 2 A. By using the oversampling phasing method, a real space image at a resolution of 30 nm was directly reconstructed from the diffraction pattern. An R factor used for characterizing the quality of the reconstruction was in the range of 5%, which demonstrated the reliability of the reconstruction process. The distribution of proteins inside the bacteria labeled with manganese oxide has been identified and this distribution confirmed by fluorescence microscopy images. Compared with lens-based microscopy, this diffraction-based imaging approach can examine thicker samples, such as whole cultured cells, in three dimensions with resolution limited only by radiation damage. Looking forward, the successful recording and reconstruction of diffraction patterns from biological samples reported here represent an important step toward the potential of imaging single biomolecules at near-atomic resolution by combining single-particle diffraction with x-ray free electron lasers.

  17. Imaging Whole Escherichia Coli Bacteria by Using Single-Particle X-Ray Diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Miao, J.

    2004-06-04

    We report the first experimental recording, to our knowledge, of the diffraction pattern from intact Escherichia coli bacteria using coherent x-rays with a wavelength of 2 {angstrom}. By using the over-sampling phasing method, a real space image at a resolution of 30 nm was directly reconstructed from the diffraction pattern. An R factor used for characterizing the quality of the reconstruction was in the range of 5%, which demonstrated the reliability of the reconstruction process. The distribution of proteins inside the bacteria labeled with manganese oxide has been identified and this distribution confirmed by fluorescence microscopy images. Compared with lens-based microscopy, this diffraction-based imaging approach can examine thicker samples, such as whole cultured cells, in three dimensions with resolution limited only by radiation damage. Looking forward, the successful recording and reconstruction of diffraction patterns from biological samples reported here represent an important step toward the potential of imaging single biomolecules at near-atomic resolution by combining single-particle diffraction with x-ray free electron lasers.

  18. X-Ray Diffraction Study of Carbon Nanotubes Under High Pressure

    Institute of Scientific and Technical Information of China (English)

    CHEN Liang-Chen; WANG Li-Jun; TANG Dong-Sheng; XIE Si-Shen; JIN Chang-Qing

    2001-01-01

    The structure and physical properties of carbon nanotubes have been investigated by using in situ high pressureenergy dispersive x-ray diffraction with synchrotron radiation at pressures up to 50.7 Gpa. At atmosphericpressure, the structure of carbon nanotubes is similar to the hexagonal close-packed lattice of graphite with theinterplanar spacing of the diffraction line (002) d002 = 0.3404nm and that of the line (100) d100 = 0.2116nm.According to the high pressure x-ray diffraction results, the diffraction line (002) is broadened and weakenedabove 8 Gpa, and carbon nanotubes become partly amorphous. When the pressures of 10 and 20 Gpa aredecreased to zero, the diffraction line (002) is partly recovered. While at the maximum pressure of 50.7 Gpa,they become entirely amorphous and this amorphous transition is irreversible. We used the equation of state ofBirch-Murnaghan to fit the P-V data of carbon nanotubes and obtained the bulk modulus K0 = 54.3 ± 3.2 Gpa(at K1o = 4.0).C

  19. Determination of global and local residual stresses in SOFC by X-ray diffraction

    Science.gov (United States)

    Villanova, Julie; Sicardy, Olivier; Fortunier, Roland; Micha, Jean-Sébastien; Bleuet, Pierre

    2010-02-01

    Solid Oxide Fuel Cell (SOFC) is a high-performance electrochemical device for energy conversion. A single cell is composed of five layers made of different ceramic materials: anode support, anode functional layer, electrolyte, cathode functional layer and cathode. The mechanical integrity of the cell is a major issue during its lifetime, especially for the electrolyte layer. Damage of the cells is mainly due to the high operating temperature, the "redox" behaviour of the anode and the brittleness of the involved materials. Since residual stresses are known to play a significant role in the damage evolution, it is important to determine them. For this purpose, residual stresses in an anode-supported planar SOFC were measured by X-ray diffraction. Firstly, macroscopic stresses in each phase of each layer were studied using the sin 2ψ method on a laboratory X-ray goniometer at room temperature. This technique enables the calculation of residual stress of the material from the measurement of the crystal lattice deformation. The electrolyte has been found under bi-axial compressive stress of -920 MPa. Secondly, X-ray measurements controlling depth penetration were made in the electrolyte using grazing incidence method. The results show that the stress is not homogenous in the layer. The first five micrometers of the electrolyte have been found less constrained (-750 MPa) than the complete layer, suggesting a gradient of deformation in the electrolyte from the interface with the Anode Functional Layer to the free surface. Finally, local stress measurements were made on the electrolyte layer by X-ray synchrotron radiation that allows high accuracy measurement on the (sub-) micrometer scale. Polychromatic and monochromatic beams are used to determine the complete strain tensor from grain to grain in the electrolyte. First results confirm the macroscopic stress trend of the electrolyte. These X-ray techniques at different scales will contribute to a better understanding of

  20. Tomography of a Cryo-immobilized Yeast Cell Using Ptychographic Coherent X-Ray Diffractive Imaging.

    Science.gov (United States)

    Giewekemeyer, K; Hackenberg, C; Aquila, A; Wilke, R N; Groves, M R; Jordanova, R; Lamzin, V S; Borchers, G; Saksl, K; Zozulya, A V; Sprung, M; Mancuso, A P

    2015-11-03

    The structural investigation of noncrystalline, soft biological matter using x-rays is of rapidly increasing interest. Large-scale x-ray sources, such as synchrotrons and x-ray free electron lasers, are becoming ever brighter and make the study of such weakly scattering materials more feasible. Variants of coherent diffractive imaging (CDI) are particularly attractive, as the absence of an objective lens between sample and detector ensures that no x-ray photons scattered by a sample are lost in a limited-efficiency imaging system. Furthermore, the reconstructed complex image contains quantitative density information, most directly accessible through its phase, which is proportional to the projected electron density of the sample. If applied in three dimensions, CDI can thus recover the sample's electron density distribution. As the extension to three dimensions is accompanied by a considerable dose applied to the sample, cryogenic cooling is necessary to optimize the structural preservation of a unique sample in the beam. This, however, imposes considerable technical challenges on the experimental realization. Here, we show a route toward the solution of these challenges using ptychographic CDI (PCDI), a scanning variant of coherent imaging. We present an experimental demonstration of the combination of three-dimensional structure determination through PCDI with a cryogenically cooled biological sample--a budding yeast cell (Saccharomyces cerevisiae)--using hard (7.9 keV) synchrotron x-rays. This proof-of-principle demonstration in particular illustrates the potential of PCDI for highly sensitive, quantitative three-dimensional density determination of cryogenically cooled, hydrated, and unstained biological matter and paves the way to future studies of unique, nonreproducible biological cells at higher resolution.