Thermal expansion behavior study of Co nanowire array with in situ x-ray diffraction and x-ray absorption fine structure techniques

Science.gov (United States)

Mo, Guang; Cai, Quan; Jiang, Longsheng; Wang, Wei; Zhang, Kunhao; Cheng, Weidong; Xing, Xueqing; Chen, Zhongjun; Wu, Zhonghua

2008-10-01

In situ x-ray diffraction and x-ray absorption fine structure techniques were used to study the structural change of ordered Co nanowire array with temperature. The results show that the Co nanowires are polycrystalline with hexagonal close packed structure without phase change up until 700 °C. A nonlinear thermal expansion behavior has been found and can be well described by a quadratic equation with the first-order thermal expansion coefficient of 4.3×10-6/°C and the second-order thermal expansion coefficient of 5.9×10-9/°C. The mechanism of this nonlinear thermal expansion behavior is discussed.

Effects of proton irradiation on structure of NdFeB permanent magnets studied by X-ray diffraction and X-ray absorption fine structure

International Nuclear Information System (INIS)

Yang, L.; Zhen, L.; Xu, C.Y.; Sun, X.Y.; Shao, W.Z.

2011-01-01

The effects of proton irradiation on the structure of NdFeB permanent magnet were investigated by X-ray diffraction and X-ray absorption fine structure (XAFS). The results reveal that proton irradiation has no effect on the long-range structure, but significantly affects the atomic local structure of the NdFeB magnet. The alignment degree of the magnet decreases and the internal stress of the lattice increases after proton irradiation. XAFS results show that the coordination number of Fe-Nd in the first neighboring coordination shell of the Fe atoms decreases and the disorder degree increases.

Effects of proton irradiation on structure of NdFeB permanent magnets studied by X-ray diffraction and X-ray absorption fine structure

Energy Technology Data Exchange (ETDEWEB)

Yang, L. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Zhen, L., E-mail: lzhen@hit.edu.c [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Xu, C.Y.; Sun, X.Y.; Shao, W.Z. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

2011-01-15

The effects of proton irradiation on the structure of NdFeB permanent magnet were investigated by X-ray diffraction and X-ray absorption fine structure (XAFS). The results reveal that proton irradiation has no effect on the long-range structure, but significantly affects the atomic local structure of the NdFeB magnet. The alignment degree of the magnet decreases and the internal stress of the lattice increases after proton irradiation. XAFS results show that the coordination number of Fe-Nd in the first neighboring coordination shell of the Fe atoms decreases and the disorder degree increases.

Parameter study of self-absorption effects in Total Reflection X-ray Fluorescence-X-ray Absorption Near Edge Structure analysis of arsenic

International Nuclear Information System (INIS)

Meirer, F.; Pepponi, G.; Streli, C.; Wobrauschek, P.; Kregsamer, P.; Zoeger, N.; Falkenberg, G.

2008-01-01

Total reflection X-ray Fluorescence (TXRF) analysis in combination with X-ray Absorption Near Edge Structure (XANES) analysis is a powerful method to perform chemical speciation studies at trace element levels. However, when measuring samples with higher concentrations and in particular standards, damping of the oscillations is observed. In this study the influence of self-absorption effects on TXRF-XANES measurements was investigated by comparing measurements with theoretical calculations. As(V) standard solutions were prepared at various concentrations and dried on flat substrates. The measurements showed a correlation between the damping of the oscillations and the As mass deposited. A Monte-Carlo simulation was developed using data of the samples shapes obtained from confocal white light microscopy. The results showed good agreement with the measurements; they confirmed that the key parameters are the density of the investigated atom in the dried residues and the shape of the residue, parameters that combined define the total mass crossed by a certain portion of the incident beam. The study presents a simple approach for an a priori evaluation of the self-absorption in TXRF X-ray absorption studies. The consequences for Extended X-ray Absorption Fine Structure (EXAFS) and XANES measurements under grazing incidence conditions are discussed, leading to the conclusion that the damping of the oscillations seems to make EXAFS of concentrated samples non feasible. For XANES 'fingerprint' analysis samples should be prepared with a deposited mass and sample shape leading to an acceptable absorption for the actual investigation

X-ray microscopy and spectromicroscopy - tools for environmental studies

International Nuclear Information System (INIS)

Thieme, J.

2002-01-01

Full text: X-ray microscopy achieves a much higher resolution than light microscopy. This is due to the much shorter wavelength of X-rays compared to visible light. The smallest structures that can be seen in an X-ray microscope at present are about 20 nm in size. X-ray microscopy is also capable of imaging specimens directly in aqueous media. By choosing the wavelength of the X-radiation appropriately, it is possible to perform spectromicroscopy studies. Comprising, it is a tool very well suited to study colloidal structures in the environment. X-ray microscopy can be performed with two types of instruments. An X-ray microscope quickly takes high-resolution images of objects to be studied, whereas a scanning X-ray microscope is an analytical instrument for spectromicroscopy. Here, an object can be imaged using energies above and below the absorption edge of an element. Dividing both images gives rise to a map of the distribution of this element in the sample. Using near-edge resonances it is possible to conduct NEXAFS studies. As the X-ray energy is raised to match the absorption edge resonances are found, that reflect the chemical bonding state of the element. Therefore, it is possible with X-ray microscopy to combine high spatial resolution with high spectral resolution for studies of colloidal structures. The Institute of X-ray physics builds up an X-ray microscopy beamline at the electron storage ring BESSY II with both, an X-ray microscope and a scanning X-ray microscope. The status of this beamline will be presented in this talk. Colloidal structures play an important role in the environment. Due to their surface activity they are involved in various processes. Substances can be bound and immobilized or transported, colloids can attach to microorganisms building up microhabitats, and organic substances as humics can flocculate due the interaction with metals. A great variety of colloidal structures from the environment have been studied using X-ray

X-ray structure analysis of soil compositions

International Nuclear Information System (INIS)

Tillaev, T.; Kalonov, M.; Kuziev, Sh.; Khatamov, Sh.; Suvanov, M.

1998-01-01

The analytic characteristics of techniques developed to analyse soil structure by means of X-ray diffraction method are presented. Presence of 8 minerals in Fergana valley soils have been established. It is shown that X-ray structure analysis of soils gives rise to new original possibilities to determine not only their structure but also quantative content and type of chemical compound of element in soil. (author)

A laboratory-based hard x-ray monochromator for high-resolution x-ray emission spectroscopy and x-ray absorption near edge structure measurements

Energy Technology Data Exchange (ETDEWEB)

Seidler, G. T., E-mail: seidler@uw.edu; Mortensen, D. R.; Remesnik, A. J.; Pacold, J. I.; Ball, N. A.; Barry, N.; Styczinski, M.; Hoidn, O. R. [Physics Department, University of Washington, Seattle, Washington 98195-1560 (United States)

2014-11-15

We report the development of a laboratory-based Rowland-circle monochromator that incorporates a low power x-ray (bremsstrahlung) tube source, a spherically bent crystal analyzer, and an energy-resolving solid-state detector. This relatively inexpensive, introductory level instrument achieves 1-eV energy resolution for photon energies of ∼5 keV to ∼10 keV while also demonstrating a net efficiency previously seen only in laboratory monochromators having much coarser energy resolution. Despite the use of only a compact, air-cooled 10 W x-ray tube, we find count rates for nonresonant x-ray emission spectroscopy comparable to those achieved at monochromatized spectroscopy beamlines at synchrotron light sources. For x-ray absorption near edge structure, the monochromatized flux is small (due to the use of a low-powered x-ray generator) but still useful for routine transmission-mode studies of concentrated samples. These results indicate that upgrading to a standard commercial high-power line-focused x-ray tube or rotating anode x-ray generator would result in monochromatized fluxes of order 10{sup 6}–10{sup 7} photons/s with no loss in energy resolution. This work establishes core technical capabilities for a rejuvenation of laboratory-based hard x-ray spectroscopies that could have special relevance for contemporary research on catalytic or electrical energy storage systems using transition-metal, lanthanide, or noble-metal active species.

Structural study on Ni nanowires in an anodic alumina membrane by using in situ heating extended x-ray absorption fine structure and x-ray diffraction techniques

International Nuclear Information System (INIS)

Cai Quan; Chen Xing; Chen Zhongjun; Wang Wei; Mo Guang; Wu Zhonghua; Zhang Junxi; Zhang Lide; Pan Wei

2008-01-01

Polycrystalline Ni nanowires have been prepared by electrochemical deposition in an anodic alumina membrane template with a nanopore size of about 60 nm. In situ heating extended x-ray absorption fine structure and x-ray diffraction techniques are used to probe the atomic structures. The nanowires are identified as being mixtures of nanocrystallites and amorphous phase. The nanocrystallites have the same thermal expansion coefficient, of 1.7 x 10 -5 K -1 , as Ni bulk; however, the amorphous phase has a much larger thermal expansion coefficient of 3.5 x 10 -5 K -1 . Details of the Ni nanowire structures are discussed in this paper

Local Structure of Mn in (La1-xHox)2/3Ca1/3MnO3 Studied by X-ray Absorption Fine Structure

International Nuclear Information System (INIS)

Pietnoczka, A.; Bacewicz, R.; Antonowicz, J.; Zalewski, W.; Pekala, M.; Drozd, V.; Fagnard, J.F.; Vanderbemden, P.

2010-01-01

Results of X-ray absorption fine structure measurements in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 with 0.15 3 is doped with a divalent element such as Ca 2+ , substituting for La 3+ , holes are induced in the filled Mn d orbitals. This leads to a strong ferromagnetic coupling between Mn sites. Ca ions in La 1-x Ca x MnO 3 introduce a distortion of the crystal lattice and mixed valence Mn ions (Mn 3+ and Mn 4+ ). On the other hand, in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 the substitution of La for Ho causes a lattice distortion and induces a disorder, which reduces a magnetic interaction. The ferromagnetic transition temperature and conductivity decrease very quickly with increasing x. The magnetic and transport properties of compounds depend on the local atomic structure around Mn ions. The information on the bond lengths and Debye-Waller factor are obtained from the extended X-ray absorption fine structure (EXAFS) data analysis. The charge state of Mn is determined from the position of the absorption edge in X-ray absorption near edge structure (XANES) data. XAFS results are in good agreement with magnetic characteristics of the studied materials. (authors)

A study of the Nb3Ge system by Ge K-edge extended x-ray absorption fine structure and x-ray absorption near-edge structure spectroscopy

International Nuclear Information System (INIS)

Saini, N L; Filippi, M; Wu Ziyu; Oyanagi, H; Ihara, H; Iyo, A; Agrestini, S; Bianconi, A

2002-01-01

The local structure of Nb 3 Ge intermetallic superconductor has been studied by Ge K-edge absorption spectroscopy. Extended x-ray absorption fine structure (EXAFS) experiments show two Ge-Nb distances. In addition to the crystallographic distance of ∼2.87 A, there exists a second Ge-Nb distance, shorter than the first by ∼0.2 A, assigned to a phase with short-range symmetry related to local displacements in the Nb-Nb chains. The x-ray absorption near-edge structure (XANES) spectrum has been simulated by full multiple-scattering calculations considering the local displacements determined by the EXAFS analysis. The XANES spectrum has been well reproduced by considering a cluster of 99 atoms within a radius of about 7 A from the central Ge atom and introducing determined local displacements

X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase

Energy Technology Data Exchange (ETDEWEB)

Yennawar, Hemant [Pennsylvania State University, 8 Althouse Laboratory, University Park, PA 16802 (United States); Møller, Magda [Cornell High Energy Synchrotron Source, Ithaca, NY 14853 (United States); University of Copenhagen, DK-2100 Copenhagen (Denmark); Gillilan, Richard [Cornell High Energy Synchrotron Source, Ithaca, NY 14853 (United States); Yennawar, Neela, E-mail: nhy1@psu.edu [Pennsylvania State University, 8 Althouse Laboratory, University Park, PA 16802 (United States)

2011-05-01

The X-ray crystal structure and a small-angle X-ray scattering solution structure of sheep liver sorbitol dehydrogenase have been determined. The details of the interactions that enable the tetramer scaffold to be the functional biological unit have been analyzed. The X-ray crystal structure of sheep liver sorbitol dehydrogenase (slSDH) has been determined using the crystal structure of human sorbitol dehydrogenase (hSDH) as a molecular-replacement model. slSDH crystallized in space group I222 with one monomer in the asymmetric unit. A conserved tetramer that superposes well with that seen in hSDH (despite belonging to a different space group) and obeying the 222 crystal symmetry is seen in slSDH. An acetate molecule is bound in the active site, coordinating to the active-site zinc through a water molecule. Glycerol, a substrate of slSDH, also occupies the substrate-binding pocket together with the acetate designed by nature to fit large polyol substrates. The substrate-binding pocket is seen to be in close proximity to the tetramer interface, which explains the need for the structural integrity of the tetramer for enzyme activity. Small-angle X-ray scattering was also used to identify the quaternary structure of the tetramer of slSDH in solution.

X-ray spectroscopy and X-ray crystallography of metalloenzymes at XFELs

International Nuclear Information System (INIS)

Yano, Junko

2016-01-01

The ultra-bright femtosecond X-ray pulses provided by X-ray Free Electron Lasers (XFELs) open capabilities for studying the structure and dynamics of a wide variety of biological and inorganic systems beyond what is possible at synchrotron sources. Although the structure and chemistry at the catalytic sites have been studied intensively in both biological and inorganic systems, a full understanding of the atomic-scale chemistry requires new approaches beyond the steady state X-ray crystallography and X-ray spectroscopy at cryogenic temperatures. Following the dynamic changes in the geometric and electronic structure at ambient conditions, while overcoming X-ray damage to the redox active catalytic center, is key for deriving reaction mechanisms. Such studies become possible by using the intense and ultra-short femtosecond X-ray pulses from an XFEL, where sample is probed before it is damaged. We have developed methodology for simultaneously collecting crystallography data and X-ray emission spectra, using an energy dispersive spectrometer at ambient conditions. In addition, we have developed a way to collect metal L-edge data of dilute samples using soft X-rays at XFELs. The advantages and challenges of these methods will be described in this review. (author)

X-ray absorption study of the electronic structure of Mn-doped amorphous Si

Energy Technology Data Exchange (ETDEWEB)

Arenholz, Elke; Zeng, Li; Huegel, A.; Helgren, E.; Hellman, F.; Piamonteze, C.; Arenholz, E.

2008-03-08

The electronic structure of Mn in amorphous Si (a-Mn{sub x}Si{sub 1?x}) is studied by X-ray absorption spectroscopy at the Mn L{sub 3,2} edges for x = 0.005-0.18. Except the x = 0.005 sample, which shows a slight signature of Mn{sup 2+} atomic multiplets associated with a local Mn moment, all samples have broad and featureless L{sub 3,2} absorption peaks, corresponding to an itinerant state for all 3d electrons. The broad X-ray absorption spectra exclude the possibility of a localized 3d moment and explain the unexpectedly quenched Mn moment in this magnetically-doped amorphous semiconductor. Such a fully delocalized d state of Mn dopant in Si has not been previously suggested.

Study of the argyrophil structures of thymus connective tissue after exposure to X-rays

International Nuclear Information System (INIS)

Beletskij, V.K.; Beletskaya, L.V.; Akademiya Meditsinskikh Nauk SSSR, Moscow. Inst. Ehpidemiologii i Mikrobiologii)

1980-01-01

Studied are argyrophil structures of thymus connective tissue - histiocytes (appendiculate macrophages) and reticuline fibers after the bulk of lymphoid cells has migrated from the organ due to irradiation of animals with X-rays. 10 intact and 16 experimental guinea pigs subjected to the whole-body irradiation with X-rays in the dose of 1000-3000 rad have been used for investigations. It is shown that argyrophil stroma elements of thymus connective tissue, histiocytes and reticular cells, are rather resistant to X-rays and preserve their argyrophily property in the irradiation with high doses, as well as the epithelial cells of the organ. Paraplastic structures in irradiated animals are expressed more completely being demasked as a result of lymphocyte migration and death. The expressed hypertrophy and proliferation of reticular cells and appendiculate macrophages are probably the response to the alternative process in the organ tissues caused by irradiation. A close structural connection of reticular and epithelial tissues on the territory of both layers of thymus sections is noted

X-ray absorption fine structure (XAFS) spectroscopy: a tool for structural studies in material sciences (abstract)

International Nuclear Information System (INIS)

Akhtar, M.J.

2011-01-01

XAFS spectroscopy has revealed itself as a powerful technique for structural characterization of the local atomic environment of individual atomic species, including bond distances, coordination numbers and type of nearest neighbors surrounding the central atom. This technique is particularly useful for materials that show considerable structural and chemical disorder. XAFS spectroscopy has found extensive applications in determining the local atomic and electronic structure of the absorbing centers (atoms) in the materials science, physics, chemistry, biology and geophysics. X-ray absorption edges contain a variety of information on the chemical state and the local structure of the absorbing atom. On the higher energy side of an absorption edge fine structure is observed due to backscattering of the emitted photoelectron. The post-edge region can be divided into two parts. The X-ray Absorption Near Edge Structure (XANES) which extends up to 50 eV of an absorption edge, the spectrum is interpreted in terms of the appropriate components of the local density of states, which would be expected to be sensitive to the valence state of the atom. The intensity, shape and location of the absorption edge features provide information on the valence state, electronic structure and coordination geometry of the absorbing atom.The Extended X-ray Absorption Fine Structure (EXAFS) region is dominated by the single scattering processes and extends up to 1000 eV above the edge and provides information on the radial distribution (coordination number, radial distance and type of neighboring atoms) around the central atom. The results on perovskite based and spinel ferrites systems will be presented, where valence state and cation distributions are determined; the present study will show focus on SrFeO/sub 3/, MnFe/sub 2/O/sub 4/ and Zn/sub 1-x/Ni/sub x/Fe/sub 2/O/sub 4/ materials. (author)

Structural enzymology using X-ray free electron lasers

Directory of Open Access Journals (Sweden)

Christopher Kupitz

2017-07-01

Full Text Available Mix-and-inject serial crystallography (MISC is a technique designed to image enzyme catalyzed reactions in which small protein crystals are mixed with a substrate just prior to being probed by an X-ray pulse. This approach offers several advantages over flow cell studies. It provides (i room temperature structures at near atomic resolution, (ii time resolution ranging from microseconds to seconds, and (iii convenient reaction initiation. It outruns radiation damage by using femtosecond X-ray pulses allowing damage and chemistry to be separated. Here, we demonstrate that MISC is feasible at an X-ray free electron laser by studying the reaction of M. tuberculosis ß-lactamase microcrystals with ceftriaxone antibiotic solution. Electron density maps of the apo-ß-lactamase and of the ceftriaxone bound form were obtained at 2.8 Å and 2.4 Å resolution, respectively. These results pave the way to study cyclic and non-cyclic reactions and represent a new field of time-resolved structural dynamics for numerous substrate-triggered biological reactions.

High-energy X-ray diffraction studies of short- and intermediate-range structure in oxide glasses

International Nuclear Information System (INIS)

Suzuya, Kentaro

2002-01-01

The feature of high-energy X-ray diffraction method is explained. The oxide glasses studies by using BL04B2, high-energy X-ray diffraction beam line of SPring-8, and the random system materials by high-energy monochromatic X-ray diffraction are introduced. An advantage of third generation synchrotron radiation is summarized. On SPring-8, the high-energy X-ray diffraction experiments of random system are carried out by BL04B2 and BL14B1 beam line. BL04B2 can select Si (111)(E=37.8 keV, λ=0.033 nm) and Si(220)(E=61.7 keV, λ=0.020 nm) as Si monochromator. The intermediate-range structure of (MgO) x (P 2 O 5 ) 1-x glass ,MgP 2 O 6 glass, B 2 O 3 glass, SiO 2 and GeO 2 are explained in detail. The future and application of high-energy X-ray diffraction are stated. (S.Y.)

Theoretical approaches to x-ray absorption fine structure

International Nuclear Information System (INIS)

Rehr, J. J.; Albers, R. C.

2000-01-01

Dramatic advances in the understanding of x-ray absorption fine structure (XAFS) have been made over the past few decades, which have led ultimately to a highly quantitative theory. This review covers these developments from a unified multiple-scattering viewpoint. The authors focus on extended x-ray absorption fine structure (EXAFS) well above an x-ray edge, and, to a lesser extent, on x-ray absorption near-edge structure (XANES) closer to an edge. The discussion includes both formal considerations, derived from a many-electron formulation, and practical computational methods based on independent-electron models, with many-body effects lumped into various inelastic losses and energy shifts. The main conceptual issues in XAFS theory are identified and their relative importance is assessed; these include the convergence of the multiple-scattering expansion, curved-wave effects, the scattering potential, inelastic losses, self-energy shifts, and vibrations and structural disorder. The advantages and limitations of current computational approaches are addressed, with particular regard to quantitative experimental comparisons. (c) 2000 The American Physical Society

Reflections on hard X-ray photon-in/photon-out spectroscopy for electronic structure studies

Energy Technology Data Exchange (ETDEWEB)

Glatzel, Pieter, E-mail: glatzel@esrf.fr [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Weng, Tsu-Chien; Kvashnina, Kristina; Swarbrick, Janine; Sikora, Marcin [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Gallo, Erik [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, I-10125 Torino (Italy); Smolentsev, Nikolay [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Research Center for Nanoscale Structure of Matter, Southern Federal University, str. Zorge 5, 344090 Rostov-on-Don (Russian Federation); Mori, Roberto Alonso [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France)

2013-06-15

Highlights: ► Overview of some recent developments in hard X-ray RXES/RIXS. ► Evaluation of spectral line broadening in RXES/RIXS. ► Modelling of RXES/RIXS by ground state DFT calculations. ► Discussion on when HERFD provides a good approximation to XAS. -- Abstract: An increasing community of researchers in various fields of natural sciences is combining X-ray absorption with X-ray emission spectroscopy (XAS–XES) to study electronic structure. With the applications becoming more diverse, the objectives and the requirements in photon-in/photon-out spectroscopy are becoming broader. It is desirable to find simple experimental protocols, robust data reduction and theoretical tools that help the experimentalist to understand their data and learn about the electronic structure. This article presents a collection of considerations on non-resonant and resonant XES with the aim to guide the experimentalist to make good use of this technique.

Depth profiling of marker layers using x-ray waveguide structures

International Nuclear Information System (INIS)

Gupta, Ajay; Rajput, Parasmani; Saraiya, Amit; Reddy, V. R.; Gupta, Mukul; Bernstorff, Sigrid; Amenitsch, H.

2005-01-01

It is demonstrated that x-ray waveguide structures can be used for depth profiling of a marker layer inside the guiding layer with an accuracy of better than 0.2 nm. A combination of x-ray fluorescence and x-ray reflectivity measurements can provide detailed information about the structure of the guiding layer. The position and thickness of the marker layer affect different aspects of the angle-dependent x-ray fluorescence pattern, thus making it possible to determine the structure of the marker layer in an unambiguous manner. As an example, effects of swift heavy ion irradiation on a Si/M/Si trilayer (M=Fe, W), forming the cavity of the waveguide structure, have been studied. It is found that in accordance with the prediction of thermal spike model, Fe is much more sensitive to swift heavy ion induced modifications as compared to W, even in thin film form. However, a clear evidence of movement of the Fe marker layer towards the surface is observed after irradiation, which cannot be understood in terms of the thermal spike model alone

Depth profiling of marker layers using x-ray waveguide structures

Science.gov (United States)

Gupta, Ajay; Rajput, Parasmani; Saraiya, Amit; Reddy, V. R.; Gupta, Mukul; Bernstorff, Sigrid; Amenitsch, H.

2005-08-01

It is demonstrated that x-ray waveguide structures can be used for depth profiling of a marker layer inside the guiding layer with an accuracy of better than 0.2 nm. A combination of x-ray fluorescence and x-ray reflectivity measurements can provide detailed information about the structure of the guiding layer. The position and thickness of the marker layer affect different aspects of the angle-dependent x-ray fluorescence pattern, thus making it possible to determine the structure of the marker layer in an unambiguous manner. As an example, effects of swift heavy ion irradiation on a Si/M/Si trilayer ( M=Fe , W), forming the cavity of the waveguide structure, have been studied. It is found that in accordance with the prediction of thermal spike model, Fe is much more sensitive to swift heavy ion induced modifications as compared to W, even in thin film form. However, a clear evidence of movement of the Fe marker layer towards the surface is observed after irradiation, which cannot be understood in terms of the thermal spike model alone.

Structure in galactic soft X-ray features

International Nuclear Information System (INIS)

Davelaar, J.

1979-01-01

Observations are described of the soft X-ray background in a part of the northern hemisphere in the energy range 0.06 - 3.0 keV. The X-ray instruments, placed onboard a sounding rocket, are a one-dimensional focusing collector with multi-cell proportional counters in the focal plane and eight large area counters on deployable panels. A description of the instruments and their preflight calibration is given. Precautions were taken to prevent UV sensitivity of the X-ray instruments. The observation program, which consisted of a number of pre-programmed slow scans, is outlined. The spectral date on the soft X-ray background in these and previous observations showed that at least two components of different temperature are present. A low temperature component of approximately (3-10)x10 5 is found all over the sky. Components of higher temperature approximately 3x10 6 K are found in regions of soft X-ray enhancement; The North Polar Spur has been observed in two scans at the galactic latitude b=25 0 and b=75 0 . The X-ray ridge structure is found to be strongly energy dependent. The low energy data ( 0 reveals two separate emission features on the ridge, both probably of finite extensions (approximately equal to 0 0 .5). A wider X-ray ridge (approximately equal to 10 0 ) is observed above 0.4 keV. (Auth.)

Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics.

Science.gov (United States)

Tanzi, Luana; Ramondo, Fabio; Caminiti, Ruggero; Campetella, Marco; Di Luca, Andrea; Gontrani, Lorenzo

2015-09-21

We report a X-ray diffraction and molecular dynamics study on three choline-based bio-ionic liquids, choline formate, [Ch] [For], choline propanoate, [Ch][Pro], and choline butanoate, [Ch][But]. For the first time, this class of ionic liquids has been investigated by X-ray diffraction. Experimental and theoretical structure factors have been compared for each term of the series. Local structural organization has been obtained from ab initio calculations through static models of isolated ion pairs and dynamic simulations of small portions of liquids through twelve, ten, and nine ion pairs for [Ch][For], [Ch][Pro], and [Ch][But], respectively. All the theoretical models indicate that cations and anions are connected by strong hydrogen bonding and form stable ion pairs in the liquid that are reminiscent of the static ab initio ion pairs. Different structural aspects may affect the radial distribution function, like the local structure of ion pairs and the conformation of choline. When small portions of liquids have been simulated by dynamic quantum chemical methods, some key structural features of the X-ray radial distribution function were well reproduced whereas the classical force fields here applied did not entirely reproduce all the observed structural features.

Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

International Nuclear Information System (INIS)

Tanzi, Luana; Ramondo, Fabio; Caminiti, Ruggero; Campetella, Marco; Di Luca, Andrea; Gontrani, Lorenzo

2015-01-01

We report a X-ray diffraction and molecular dynamics study on three choline-based bio-ionic liquids, choline formate, [Ch] [For], choline propanoate, [Ch][Pro], and choline butanoate, [Ch][But]. For the first time, this class of ionic liquids has been investigated by X-ray diffraction. Experimental and theoretical structure factors have been compared for each term of the series. Local structural organization has been obtained from ab initio calculations through static models of isolated ion pairs and dynamic simulations of small portions of liquids through twelve, ten, and nine ion pairs for [Ch][For], [Ch][Pro], and [Ch][But], respectively. All the theoretical models indicate that cations and anions are connected by strong hydrogen bonding and form stable ion pairs in the liquid that are reminiscent of the static ab initio ion pairs. Different structural aspects may affect the radial distribution function, like the local structure of ion pairs and the conformation of choline. When small portions of liquids have been simulated by dynamic quantum chemical methods, some key structural features of the X-ray radial distribution function were well reproduced whereas the classical force fields here applied did not entirely reproduce all the observed structural features

Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Tanzi, Luana; Ramondo, Fabio, E-mail: fabio.ramondo@univaq.it [Department of Physical and Chemical Sciences, University of L’Aquila, Via Vetoio, L’Aquila I-67100 (Italy); Caminiti, Ruggero; Campetella, Marco; Di Luca, Andrea; Gontrani, Lorenzo, E-mail: lorenzo.gontrani@uniroma1.it [Department of Chemistry, University of Rome ‘La Sapienza’, P.le Aldo Moro 5, I-00185 Rome (Italy)

2015-09-21

We report a X-ray diffraction and molecular dynamics study on three choline-based bio-ionic liquids, choline formate, [Ch] [For], choline propanoate, [Ch][Pro], and choline butanoate, [Ch][But]. For the first time, this class of ionic liquids has been investigated by X-ray diffraction. Experimental and theoretical structure factors have been compared for each term of the series. Local structural organization has been obtained from ab initio calculations through static models of isolated ion pairs and dynamic simulations of small portions of liquids through twelve, ten, and nine ion pairs for [Ch][For], [Ch][Pro], and [Ch][But], respectively. All the theoretical models indicate that cations and anions are connected by strong hydrogen bonding and form stable ion pairs in the liquid that are reminiscent of the static ab initio ion pairs. Different structural aspects may affect the radial distribution function, like the local structure of ion pairs and the conformation of choline. When small portions of liquids have been simulated by dynamic quantum chemical methods, some key structural features of the X-ray radial distribution function were well reproduced whereas the classical force fields here applied did not entirely reproduce all the observed structural features.

X-ray scattering studies of surfaces and interfaces

International Nuclear Information System (INIS)

Sanyal, M.K.

1998-01-01

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

X-ray structural study of Nd[N(CN)2]3x2OP(NMe2)3

International Nuclear Information System (INIS)

Kapshuk, A.A.; Skopenko, V.V.

1985-01-01

The results of X-ray structure study of Nd(N(CN) 2 ) 3 x2OP(NMe) 2 ) 3 are presented. The crystals are monoclinic: a=12,787(6), b=17.731(9), c=15.302(5) A, γ=114.84(3) deg, Z=4, sp.gr. p2 1 /n. The structure is formed of infinite corrugated netting consisting of neodymium atoms, coordinating two OP(NMe 2 ) 3 molecules, and three bidentate-bridge dicyanamide groups. Neodymium coordination number is 8, coordination polyhedron is a distorted twocapped trigonal prism. Certain aspects of crystal chemistry of dicyanamide complexes are discussed

The atomic structure of Fe100-xCux nanoalloys: X-ray absorption analysis

International Nuclear Information System (INIS)

Kravtsova, A.N.; Yalovega, G.E.; Soldatov, A.V.; Yan, W.S.; Wei, S.Q.

2009-01-01

The local atomic structure of Fe 100-x Cu x nanoalloys (x = 0, 10, 20, 40, 60, 70, 80 and 100%) has been investigated by X-ray absorption near edge structure (XANES) analysis. Local environment around copper and iron atoms in Fe 100-x Cu x has been studied by comparing the experimental XANES with corresponding theoretical spectra calculated for several structural models. It has been established that the most probable structure of the Fe 100-x Cu x nanoalloys for a low concentration of copper (x = 10-20%) is a homogenous bcc structure, for a high copper concentration (x = 60-80%)-a homogenous fcc structure, while at an intermediate copper concentration (about 40%) the nanoalloys have an inhomogeneous structure consisting of clusters of fcc solid solution (90%) and of clusters of bcc solid solution (10%)

Structural studies using X-ray absorption and scattering techniques

International Nuclear Information System (INIS)

Ericson, Agneta.

1989-01-01

The thesis presents extended X-ray absorption fine structure, EXAFS, and large angle X-ray scattering, LAXS, techniques; instrumentation, data collection and reduction, and applications. These techniques have been used to determine the structures of magnesium halides and organomagnesium halides in diethyl ether and tetrahydrofuran solution. The iodides were used for the LAXS measurements and Br K edge EXAFS data were collected for the corresponding bromides. Two different complexes are present in the diethyl ether solution of magnesium iodide; a polymeric chain-type structure where magnesium is tetrahedrally coordinated, as well as dimeric complex with octahedrally coordinated magnesium. Solvated MgI + is the dominating species in tetrahydrofuran solution. The organomagnesium halides are present in diethyl ether solution as both solvated monomeric and dimeric complexes. Magnesium coordinates a halide ion, an alkyl or aryl group and four solvent molecules octahedrally in the monomeric complex. In the dimeric complex magnesium is octahedrally coordinated by two bridging halide ions, an alkyl or aryl group and three solvent molecules. The distribution of monomeric and dimeric complexes in various solutions are given by a dimerisation constant, K dl . The results indicate that the Schlenk equilibrium is present in these solutions, however, in an extended form. In diethyl ether solution, where MgX 2 does not dissociate, no MgX 2 complex and thereby no Schlenk equilibrium has been observed. In tetrahydrofuran solution MgI 2 has dissociated into mainly MgI + and I - . This indicates that the concentration of MgI 2 is low and that the Schlenk equilibrium should be expanded even further to include the dissociation equilibrium of the magnesium halide. In the thesis Fe K edge EXAFS data collected for the semireduced form of protein A of methane monooxygenase from Methylococcus capsulatus, are also presented. (139 refs.)

Electronic structure and optical properties of CdS{sub x}Se{sub 1−x} solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

Energy Technology Data Exchange (ETDEWEB)

Murphy, M. W. [DESY (Deutsches Elektronen-Synchrotron), FS-PEX, Notkestrasse 85, 22607 Hamburg (Germany); Yiu, Y. M., E-mail: yyiu@uwo.ca; Sham, T. K. [Department of Chemistry, University of Western Ontario, London, ON N6A5B7 (Canada); Ward, M. J. [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, NY 14853 (United States); Liu, L. [Institute of Functional Nano and Soft Materials (FUNSOM) and Soochow University-Western University Center for Synchrotron Radiation Research, Soochow University, Suzhou, Jiangsu, 215123 (China); Hu, Y. [Canadian Light Source, University of Saskatchewan, Saskatoon, SK S7N2V3 (Canada); Zapien, J. A. [Center Of Super-Diamond and Advanced Films (COSDAF) and Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China); Liu, Yingkai [Institute of Physics and Electronic Information, Yunnan Normal University, Kunming, Yunnan, 650500 (China)

2014-11-21

The electronic structure and optical properties of a series of iso-electronic and iso-structural CdS{sub x}Se{sub 1−x} solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

Diffraction anomalous fine structure using X-ray anomalous dispersion

International Nuclear Information System (INIS)

Soejima, Yuji; Kuwajima, Shuichiro

1998-01-01

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

High pressure X-ray studies

International Nuclear Information System (INIS)

Sikka, S.K.

1981-01-01

High pressure research has already led to new insights in the physical properties of materials and at times to the synthesis of new ones. In all this, X-ray diffraction has been a valuable diagnostic experimental tool. In particular, X-rays in high pressure field have been used (a) for crystallographic identification of high pressure polymorphs and (b) for study of the effect of pressure on lattice parameters and volume under isothermal conditions. The results in the area (a) are reviewed. The techniques of applying high pressures are described. These include both static and dynamic shockwave X-ray apparatus. To illustrate the effect of pressure, some of the pressure induced phase transitions in pure metals are described. It has been found that there is a clear trend for elements in any group of the periodic table to adopt similar structures at high pressures. These studies have enabled to construct generalized phase diagrams for many groups. In the case of alloys, the high pressure work done on Ti-V alloys is presented. (author)

Bone structure investigation using X-ray and neutron radiography techniques

International Nuclear Information System (INIS)

Kamali Moghaddam, K.; Taheri, T.; Ayubian, M.

2008-01-01

In this paper we report a study of the periodic variation of bone tissue humidity immediately after death using both neutron and X-ray radiography techniques. After death, bone tissue experiences sequential change over time. This change consists of organic and inorganic phase variations of the bone structure, as well as gradual reduction of the bone's water content. These variations are investigated by periodically imaging dead bone using X-ray and neutron radiography. Chemical separation techniques such as calcification and decalcification were used to separate the organic and inorganic phases of the bone. Comparison between X-ray and neutron radiographs of bone following phase separation can be potentially used to investigate the bone disease or to determine a cause of death. In our experiments, we use adult rat femur bones, and the interpretations of these results are presented based on our understanding of bone structure and images produced by neutron and X-ray photon interactions

Bone structure investigation using X-ray and neutron radiography techniques

Energy Technology Data Exchange (ETDEWEB)

Kamali Moghaddam, K. [Nuclear Research Center (NRC), Atomic Energy Organization of Iran (AEOI), P.O. Box 11365-8486, Tehran (Iran, Islamic Republic of)], E-mail: kkamali@aeoi.org.ir; Taheri, T.; Ayubian, M. [Nuclear Research Center (NRC), Atomic Energy Organization of Iran (AEOI), P.O. Box 11365-8486, Tehran (Iran, Islamic Republic of)

2008-01-15

In this paper we report a study of the periodic variation of bone tissue humidity immediately after death using both neutron and X-ray radiography techniques. After death, bone tissue experiences sequential change over time. This change consists of organic and inorganic phase variations of the bone structure, as well as gradual reduction of the bone's water content. These variations are investigated by periodically imaging dead bone using X-ray and neutron radiography. Chemical separation techniques such as calcification and decalcification were used to separate the organic and inorganic phases of the bone. Comparison between X-ray and neutron radiographs of bone following phase separation can be potentially used to investigate the bone disease or to determine a cause of death. In our experiments, we use adult rat femur bones, and the interpretations of these results are presented based on our understanding of bone structure and images produced by neutron and X-ray photon interactions.

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

International Nuclear Information System (INIS)

Ito, K.; Amemiya, Y.

1999-01-01

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

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

DEFF Research Database (Denmark)

Haldrup, Kristoffer; Gawelda, Wojciech; Abela, Rafael

2016-01-01

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

Photovoltaic X-ray detectors based on epitaxial GaAs structures

Energy Technology Data Exchange (ETDEWEB)

Achmadullin, R.A. [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 1 Ac. Vvedenski square, Fryazino 141190, Moscow region (Russian Federation); Artemov, V.V. [Shubnikov Institute of Crystallography, Russian Academy of Sciences, 59 Leninski pr., Moscow B-333, 117333 (Russian Federation); Dvoryankin, V.F. [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 1 Ac. Vvedenski square, Fryazino 141190, Moscow region (Russian Federation)]. E-mail: vfd217@ire216.msk.su; Dvoryankina, G.G. [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 1 Ac. Vvedenski square, Fryazino 141190, Moscow region (Russian Federation); Dikaev, Yu.M. [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 1 Ac. Vvedenski square, Fryazino 141190, Moscow region (Russian Federation); Ermakov, M.G. [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 1 Ac. Vvedenski square, Fryazino 141190, Moscow region (Russian Federation); Ermakova, O.N. [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 1 Ac. Vvedenski square, Fryazino 141190, Moscow region (Russian Federation); Chmil, V.B. [Scientific State Center, High Energy Physics Institute, Protvino, Moscow region (Russian Federation); Holodenko, A.G. [Scientific State Center, High Energy Physics Institute, Protvino, Moscow region (Russian Federation); Kudryashov, A.A.; Krikunov, A.I.; Petrov, A.G.; Telegin, A.A. [Institute of Radio Engineering and Electronics, Russian Academy of Sciences, 1 Ac. Vvedenski square, Fryazino 141190, Moscow region (Russian Federation); Vorobiev, A.P. [Scientific State Center, High Energy Physics Institute, Protvino, Moscow region (Russian Federation)

2005-12-01

A new type of the photovoltaic X-ray detector based on epitaxial p{sup +}-n-n'-n{sup +} GaAs structures which provides a high efficiency of charge collection in the non-bias operation mode at room temperature is proposed. The GaAs epitaxial structures were grown by vapor-phase epitaxy on heavily doped n{sup +}-GaAs(1 0 0) substrates. The absorption efficiency of GaAs X-ray detector is discussed. I-V and C-V characteristics of the photovoltaic X-ray detectors are analyzed. The built-in electric field profiles in the depletion region of epitaxial structures are measured by the EBIC method. Charge collection efficiency to {alpha}-particles and {gamma}-radiation are measured. The application of X-ray detectors is discussed.

Atomic structure of machined semiconducting chips: An x-ray absorption spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Paesler, M.; Sayers, D.

1988-12-01

X-ray absorption spectroscopy (XAS) has been used to examine the atomic structure of chips of germanium that were produced by single point diamond machining. It is demonstrated that although the local (nearest neighbor) atomic structure is experimentally quite similar to that of single crystal specimens information from more distant atoms indicates the presence of considerable stress. An outline of the technique is given and the strength of XAS in studying the machining process is demonstrated.

X-ray diffraction studies of NbTe 2 single crystal

Indian Academy of Sciences (India)

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

Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+

DEFF Research Database (Denmark)

Biasin, Elisa; Brandt van Driel, Tim; Kjær, Kasper Skov

2016-01-01

We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows that the photoexcitat......We study the structural dynamics of photoexcited [Co(terpy)2]2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows...... find that the equilibrium bond-elongated structure of the high spin state is established on a single-picosecond time scale and that this state has a lifetime of ∼7 ps....

X-ray diffraction study of surface-layer structure in parallel grazing rays

International Nuclear Information System (INIS)

Shtypulyak, N.I.; Yakimov, I.I.; Litvintsev, V.V.

1989-01-01

An x-ray diffraction method is described for study of thin polycrystalline and amorphous films and surface layers in an extremely asymmetrical diffraction system in parallel grazing rays using a DRON-3.0 diffractometer. The minimum grazing angles correspond to diffraction under conditions of total external reflection and a layer depth of ∼ 2.5-8 nm

X-ray-to-current signal conversion characteristics of trench-structured photodiodes for direct-conversion-type silicon X-ray sensor

International Nuclear Information System (INIS)

Ariyoshi, Tetsuya; Funaki, Shota; Sakamoto, Kenji; Baba, Akiyoshi; Arima, Yutaka

2017-01-01

To reduce the radiation dose required in medical X-ray diagnoses, we propose a high-sensitivity direct-conversion-type silicon X-ray sensor that uses trench-structured photodiodes. This sensor is advantageous in terms of its long device lifetime, noise immunity, and low power consumption because of its low bias voltage. With this sensor, it is possible to detect X-rays with almost 100% efficiency; sensitivity can therefore be improved by approximately 10 times when compared with conventional indirect-conversion-type sensors. In this study, a test chip was fabricated using a single-poly single-metal 0.35 μm process. The formed trench photodiodes for the X-ray sensor were approximately 170 and 300 μm deep. At a bias voltage of 25 V, the absorbed X-ray-to-current signal conversion efficiencies were 89.3% (theoretical limit; 96.7%) at a trench depth of 170 μm and 91.1% (theoretical limit; 94.3%) at a trench depth of 300 μm. (author)

Directional fine structure in absorption of white x rays: A tomographic interpretation

International Nuclear Information System (INIS)

Korecki, P.; Szymonski, M.; Tolkiehn, M.; Novikov, D. V.; Materlik, G.

2006-01-01

We discuss directional fine structure in absorption of white x rays for tomographic imaging of crystal structure at the atomic level. The interference between a direct x-ray beam and the secondary waves coherently scattered inside a specimen modifies the total wave field at the position of the absorbing atoms. For a white x-ray beam, the wave field variations cancel out by energy integration for all directions, except for the near forward scattering components, coinciding with the incident beam. Therefore, two-dimensional patterns of the angular-dependent fine structure in absorption of white x rays can be interpreted as real-space projections of atomic structure. In this work, we present a theory describing the directional fine structure in white x-ray absorption and a tomographic approach for crystal structure retrieval developed on its basis. The tomographic algorithm is applied to the experimental x-ray absorption data recorded for GaP crystals

Controlled agglomeration of Tb-doped Y2O3 nanocrystals studied by x-ray absorption fine structure, x-ray excited luminescence, and photoluminescence

International Nuclear Information System (INIS)

Soo, Y.L.; Huang, S.W.; Kao, Y.H.; Chhabra, V.; Kulkarni, B.; Veliadis, J.V.; Bhargava, R.N.

1999-01-01

Local environment surrounding Y atoms in Y 2 O 3 :Tb nanocrystals under various heat treatment conditions has been investigated by using the extended x-ray absorption fine structure (EXAFS) technique. X-ray excited luminescence (XEL) with the incident x-ray energy near Y K edge and Tb L edges has also been measured to investigate the mechanisms of x-ray-to-visible down conversion in these doped nanoparticles. The observed changes in EXAFS, XEL, and photoluminescent data can be explained on the basis of increased average size of the nanoparticles as confirmed by transmission electron microscopy studies. Our results thus demonstrate that the doped nanoparticles can agglomerate to a controllable degree by varying the heat treatment temperature. At higher temperatures, the local environment surrounding Y atoms in the nanoparticles is found to become similar to that in bulk Y 2 O 3 while the XEL output still shows the characteristics of nanocrystals. These results indicate that appropriate heat treatment can afford an effective means to control the intensity and signal-to-background ratio of green luminescence output of these doped nanocrystal phosphors, potentially useful for some device applications. copyright 1999 American Institute of Physics

X-ray diffraction study on the evaluation of the damage of steel structures subjected to earthquake

International Nuclear Information System (INIS)

Kaneta, Kiyoshi; Nishizawa, Hidekazu; Koshika, Norihide.

1985-01-01

The purpose of this study is to investigate the behavior of steel structures subjected to a strong earthquake and to evaluate the damage from a microscopic point of view. For this purpose, the authors have adopted two kinds of research techniques. The first is the ''ON-LINE EARTHQUAKE RESPONSE SIMULATION SYSTEM (ON-LINE SIMULATION SYSTEM)'', which is composed of an electro-hydrauric testing machine controled by a computer and a full scale specimen. Since a term of restoring force in the equation of motion is to be substituted by the actual reaction of a specimen under test, we can obtain the non-linear response of structure without any assumption about the hysteretic characteristics. Based on this method, the dynamic behavior of simple steel structures subjected to an intense earthquakes were simulated. The second technique is the ''X-RAY DIFFRACTION METHOD''. Although this method is usually regarded an experimental technique particular to the material science, we have realized the good applicability for the study of structural engineering. Because X-ray diffraction method is advantageous in investigating the microscopic behavior of steel member such as the plastic deformation and the low cycle fatigue. From the view point stated above, we have adopted this method for the evaluation of low cycle fatigue damage of steel member subjected to an earthquake. The experiment has been performed by radiating the X-ray at several stages of the ON-LINE SIMULATION. As has been expected, the X-ray diffraction patterns have changed in a regular manner depending on the degree of fatigue damage, and the results have shown a good possibility that the X-ray diffraction approach can offer a powerful tool for the detection of the earthquake damage of steel members. (author)

Novel X-ray phase-contrast tomography method for quantitative studies of heat induced structural changes in meat

DEFF Research Database (Denmark)

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

2014-01-01

The objective of this study was to evaluate the use of X-ray phase-contrast tomography combined with 3D image segmentation to investigate the heat induced structural changes in meat. The measurements were performed at the Swiss synchrotron radiation light source using a grating interferometric...... and separated into a water phase and a gel phase formed by the sarcoplasmic proteins in the exudate. The results show that X-ray phase contrast tomography offers unique possibilities in studies both the meat structure and the different meat component such as water, fat, connective tissue and myofibrils...

X-ray studies of microstructures in semiconductors and superconducting materials

International Nuclear Information System (INIS)

Kao, Y.H.

1991-01-01

Several different experimental investigations were carried out during the present report period. These include x-ray studies of semiconductors, high-T c superconductors, and various thin films using synchrotron radiation (especially soft x-ray experiments by means of our new detector) and measurements of some fundamental properties of new superconducting materials made in our laboratory at Buffalo. We have made the first systematic study of electronic structure in the high-T c superconductors La 2-x Sr x CuO 4 with x ranging from 0 to 0.15 by x-ray absorption spectroscopy (XAS)

X-ray diffraction studies of NbTe2 single crystal

Indian Academy of Sciences (India)

Unknown

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

X-ray Absorption Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Yano, Junko; Yachandra, Vittal K.

2009-07-09

This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.

Magnetic and structural properties of Fe/Pd multilayers studied by magnetic x-ray dichroism and x-ray absorption spectroscopy

International Nuclear Information System (INIS)

Mini, S.M.; Fullerton, E.E.; Sowers, C.H.; Fontaine, A.; Pizzini, S.; Bommannavar, A.S.; Traverse, A.; Baudelet, F.

1994-12-01

The results of magnetic circular x-ray dichroism (MCXD) measurements and extended x-ray absorption fine structure measurements (EXAFS) of the Fe K-edges of textured Fe(110)/Pd(111) multilayers are reported. The EXAFS results indicates that the iron in the system goes from bcc to a more densely packed system as the thickness of the iron layer is decreased. The magnetic properties were measured by SQUID magnetometry from 5-350 K. For all the samples, the saturation magnetization was significantly enhanced over the bulk values indicating the interface Pd atoms are polarized by the Fe layer. The enhancement corresponds to a moment of ∼2.5μ B per interface Pd atom

The development of structural x-ray crystallography

Science.gov (United States)

Woolfson, M. M.

2018-03-01

From its birth in 1912, when only the simplest structures could be solved, x-ray structural crystallography is now able to solve macromolecular structures containing many thousands of independent non-hydrogen atoms. This progress has depended on, and been driven by, great technical advances in the development of powerful synchrotron x-ray sources, advanced automated equipment for the collection and storage of large data sets and powerful computers to deal with everything from data processing to running programmes employing complex algorithms for the automatic solution of structures. The sheer number of developments in the subject over the past century makes it impossible for this review to be exhaustive, but it will describe some major developments that will enable the reader to understand how the subject has grown from its humble beginnings to what it is today.

Structural investigations of LiFePO4 electrodes and in situ studies by Fe X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Deb, Aniruddha; Bergmann, Uwe; Cramer, S.P.; Cairns, Elton J.

2005-01-01

Fe K-edge X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) have been performed on electrodes containing LiFePO 4 to determine the local atomic and electronic structure and their stability with electrochemical cycling. A versatile electrochemical in situ cell has been constructed for long-term soft and hard X-ray experiments for the structural investigation on battery electrodes during the lithium-insertion/extraction processes. The device is used here for an X-ray absorption spectroscopic study of lithium insertion/extraction in a LiFePO 4 electrode, where the electrode contained about 7.7 mg of LiFePO 4 on a 20 μm thick Al-foil. Fe K-edge X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) have been performed on this electrode to determine the local atomic and electronic structure and their stability with electrochemical cycling. The initial state (LiFePO 4 ) showed iron to be in the Fe 2+ state corresponding to the initial state (0.0 mAh) of the cell, whereas in the delithiated state (FePO 4 ) iron was found to be in the Fe 3+ state corresponding to the final charged state (3 mAh). XANES region of the XAS spectra revealed a high spin configuration for the two states (Fe (II), d 6 and Fe (III), d 5 ). The results confirm that the olivine structure of the LiFePO 4 and FePO 4 is retained by the electrodes in agreement with the XRD observations reported previously. These results confirm that LiFePO 4 cathode material retains good structural short-range order leading to superior cycling capability

Extended x-ray absorption fine structure spectroscopy and x-ray absorption near edge spectroscopy study of aliovalent doped ceria to correlate local structural changes with oxygen vacancies clustering

Energy Technology Data Exchange (ETDEWEB)

Shirbhate, S. C.; Acharya, S. A., E-mail: saha275@yahoo.com [Department of Physics, Rashtrasant Tukadoji Maharaj Nagpur University, Nagpur 440033 (India); Yadav, A. K. [Atomic and molecular Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

2016-04-04

This study provides atomic scale insight to understand the role of aliovalent dopants on oxygen vacancies clustering and dissociation mechanism in ceria system in order to enhance the performance of oxy-ion conductor. Dopants induced microscale changes in ceria are probed by extended X-ray absorption fine structure spectroscopy, X-ray absorption near edge spectra, and Raman spectroscopy. The results are explored to establish a correlation between atomic level structural changes (coordination number, interatomic spacing) → formation of dimer and trimer type cation-oxygen vacancies defect complex (intrinsic and extrinsic) → dissociation of oxygen vacancies from defect cluster → ionic conductivity temperature. It is a strategic approach to understand key physics of ionic conductivity mechanism in order to reduce operating temperature of electrolytes for intermediate temperature (300–450 °C) electrochemical devices for the first time.

Structural studies of disordered materials using high-energy x-ray diffraction from ambient to extreme conditions

Energy Technology Data Exchange (ETDEWEB)

Kohara, Shinji [Japan Synchrotron Radiation Research Institute (SPring-8/JASRI), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Itou, Masayoshi [Japan Synchrotron Radiation Research Institute (SPring-8/JASRI), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Suzuya, Kentaro [Japan Atomic Energy Agency (J-PARC/JAEA), Tokai, Naka, Ibaraki 319-1195 (Japan); Inamura, Yasuhiro [Japan Atomic Energy Agency (J-PARC/JAEA), Tokai, Naka, Ibaraki 319-1195 (Japan); Sakurai, Yoshiharu [Japan Synchrotron Radiation Research Institute (SPring-8/JASRI), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Ohishi, Yasuo [Japan Synchrotron Radiation Research Institute (SPring-8/JASRI), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Takata, Masaki [Japan Synchrotron Radiation Research Institute (SPring-8/JASRI), 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

2007-12-19

High-energy x-rays from a synchrotron radiation source allow us to obtain high-quality diffraction data for disordered materials from ambient to extreme conditions, which is necessary for revealing the detailed structures of glass, liquid and amorphous materials. We introduced high-energy x-ray diffraction beamlines and a dedicated diffractometer for glass, liquid and amorphous materials at SPring-8 and report the recent developments of ancillary equipment. Furthermore, the structures of liquid and amorphous materials determined from the high-energy x-ray diffraction data obtained at SPring-8 are discussed.

Structural Modification of Cobalt Catalysts: Effect of Wetting Studied by X-Ray and Infrared Techniques

Directory of Open Access Journals (Sweden)

Khodakov A.

1999-07-01

Full Text Available The effect of wetting on the structure and localisation of cobalt species on various supports (Al2O3, SiO2, TiO2, HZSM-5 zeolite was studied using X-ray diffraction, Fourier transform infrared spectroscopy with CO as a molecular probe, X-ray photoelectron spectroscopy and extended X-ray absorption fine structure analysis. Aqueous impregnation to incipient wetness of reduced and passivated cobalt catalysts results, even in the absence of any promoter, in a considerable decrease in the concentration of Co crystalline phases and modifies the surface sites. The decrease in the concentration of Co3O4 crystallites was especially pronounced on silica supported catalysts prepared via impregnation of cobalt and on a mixture of Co3O4 and HZSM-5 zeolite. Saturation with water of the passivated Co/SiO2 sample results in an amorphous solid with a local structure close to that of Co2SiO4. For Co/Al2O3 and Co/TiO2 catalysts, the effect of wetting on the concentration of Co3O4 crystalline phase was considerably smaller.

X-Ray structure and biophysical properties of rabbit fibroblast growth factor 1

Energy Technology Data Exchange (ETDEWEB)

Lee, Jihun; Blaber, Sachiko I.; Irsigler, Andre; Aspinwall, Eric; Blaber, Michael; (FSU)

2010-01-14

The rabbit is an important and de facto animal model in the study of ischemic disease and angiogenic therapy. Additionally, fibroblast growth factor 1 (FGF-1) is emerging as one of the most important growth factors for novel pro-angiogenic and pro-arteriogenic therapy. However, despite its significance, the fundamental biophysical properties of rabbit FGF-1, including its X-ray structure, have never been reported. Here, the cloning, crystallization, X-ray structure and determination of the biophysical properties of rabbit FGF-1 are described. The X-ray structure shows that the amino-acid differences between human and rabbit FGF-1 are solvent-exposed and therefore potentially immunogenic, while the biophysical studies identify differences in thermostability and receptor-binding affinity that distinguish rabbit FGF-1 from human FGF-1.

High-energy X-ray diffraction studies of disordered materials

International Nuclear Information System (INIS)

Kohara, Shinji; Suzuya, Kentaro

2003-01-01

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

Interplay between structure and magnetism in HoxPr1-x alloys. 2. Resonant x-ray magnetic scattering

DEFF Research Database (Denmark)

Vigliante, A.; Christensen, M.J.; Hill, J.P.

1998-01-01

X-ray-scattering techniques have been used to study the crystal and magnetic structures of HoxPr1-x alloys in the form of thin films. Three distinct crystal structures are found as a function of concentration x, each of which has a characteristic magnetic structure. For x greater than or equal to 0.......6 a hexagonal-close-packed phase is found with the magnetic moments ordered in a basal-plane helix, whereas for 0.4 less than or equal to x... hexagonal-close-packed and remain nonmagnetic down to the lowest temperatures studied. Using x-ray magnetic resonance scattering techniques, we demonstrate that a small, static spin-density wave is induced within the alloy 5d band at both the Pr and Ho sites in both of the magnetically ordered phases...

X-ray holography: X-ray interactions and their effects

International Nuclear Information System (INIS)

London, R.A.; Trebes, J.E.; Rosen, M.D.

1988-01-01

The authors summarize a theoretical study of the interactions of x-rays with a biological sample during the creation of a hologram. The choice of an optimal wavelength for x-ray holography is discussed, based on a description of scattering by objects within an aqueous environment. The problem of the motion resulting from the absorption of x-rays during a short exposure is described. The possibility of using very short exposures in order to capture the image before motion can compromise the resolution is explored. The impact of these calculation on the question of the feasibility of using an x-ray laser for holography of biological structures is discussed. 12 refs., 2 figs

Parallelization for X-ray crystal structural analysis program

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Hiroshi [Japan Atomic Energy Research Inst., Tokyo (Japan); Minami, Masayuki; Yamamoto, Akiji

1997-10-01

In this report we study vectorization and parallelization for X-ray crystal structural analysis program. The target machine is NEC SX-4 which is a distributed/shared memory type vector parallel supercomputer. X-ray crystal structural analysis is surveyed, and a new multi-dimensional discrete Fourier transform method is proposed. The new method is designed to have a very long vector length, so that it enables to obtain the 12.0 times higher performance result that the original code. Besides the above-mentioned vectorization, the parallelization by micro-task functions on SX-4 reaches 13.7 times acceleration in the part of multi-dimensional discrete Fourier transform with 14 CPUs, and 3.0 times acceleration in the whole program. Totally 35.9 times acceleration to the original 1CPU scalar version is achieved with vectorization and parallelization on SX-4. (author)

Characterization of atmospheric aerosols using Synchroton radiation total reflection X-ray fluorescence and Fe K-edge total reflection X-ray fluorescence-X-ray absorption near-edge structure

Energy Technology Data Exchange (ETDEWEB)

Fittschen, U.E.A. [Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany)], E-mail: ursula.fittschen@chemie.uni-hamburg.de; Meirer, F. [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Wien (Austria)], E-mail: fmeirer@ati.ac.at; Streli, C. [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Wien (Austria)], E-mail: streli@ati.ac.at; Wobrauschek, P. [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Wien (Austria)], E-mail: wobi@ati.ac.at; Thiele, J. [Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany)], E-mail: Julian.Thiele@gmx.de; Falkenberg, G. [Hamburger Synchrotronstrahlungslabor at Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22603 Hamburg (Germany)], E-mail: falkenbe@mail.desy.de; Pepponi, G. [ITC-irst, Via Sommarive 18, 38050 Povo (Trento) (Italy)], E-mail: pepponi@itc.it

2008-12-15

In this study a new procedure using Synchrotron total reflection X-ray fluorescence (SR-TXRF) to characterize elemental amounts in atmospheric aerosols down to particle sizes of 0.015 um is presented. The procedure was thoroughly evaluated regarding bounce off effects and blank values. Additionally the potential of total reflection X-ray fluorescence-X-ray absorption near edge structure (SR-TXRF-XANES) for speciation of FeII/III down to amounts of 34 pg in aerosols which were collected for 1 h is shown. The aerosols were collected in the city of Hamburg with a low pressure Berner impactor on Si carriers covered with silicone over time periods of 60 and 20 min each. The particles were collected in four and ten size fractions of 10.0-8.0 {mu}m, 8.0-2.0 {mu}m, 2.0-0.13 {mu}m 0.13-0.015 {mu}m (aerodynamic particle size) and 15-30 nm, 30-60 nm, 60-130 nm, 130-250 nm, 250-500 nm, 0.5-1 {mu}m, 1-2 {mu}m, 2-4 {mu}m, 4-8 {mu}m, 8-16 {mu}m. Prior to the sampling 'bounce off' effects on Silicone and Vaseline coated Si carriers were studied with total reflection X-ray fluorescence. According to the results silicone coated carriers were chosen for the analysis. Additionally, blank levels originating from the sampling device and the calibration procedure were studied. Blank levels of Fe corresponded to 1-10% of Fe in the aerosol samples. Blank levels stemming from the internal standard were found to be negligible. The results from the Synchroton radiation total reflection X-ray fluorescence analysis of the aerosols showed that 20 min of sampling time gave still enough sample material for elemental determination of most elements. For the determination of the oxidation state of Fe in the aerosols different Fe salts were prepared as a reference from suspensions in isopropanol. The results from the Fe K-edge Synchroton radiation total reflection X-ray fluorescence-X-ray absorption near-edge structure analysis of the aerosol samples showed that mainly Fe(III) was present in

Characterization of atmospheric aerosols using Synchroton radiation total reflection X-ray fluorescence and Fe K-edge total reflection X-ray fluorescence-X-ray absorption near-edge structure

International Nuclear Information System (INIS)

Fittschen, U.E.A.; Meirer, F.; Streli, C.; Wobrauschek, P.; Thiele, J.; Falkenberg, G.; Pepponi, G.

2008-01-01

In this study a new procedure using Synchrotron total reflection X-ray fluorescence (SR-TXRF) to characterize elemental amounts in atmospheric aerosols down to particle sizes of 0.015 um is presented. The procedure was thoroughly evaluated regarding bounce off effects and blank values. Additionally the potential of total reflection X-ray fluorescence-X-ray absorption near edge structure (SR-TXRF-XANES) for speciation of FeII/III down to amounts of 34 pg in aerosols which were collected for 1 h is shown. The aerosols were collected in the city of Hamburg with a low pressure Berner impactor on Si carriers covered with silicone over time periods of 60 and 20 min each. The particles were collected in four and ten size fractions of 10.0-8.0 μm, 8.0-2.0 μm, 2.0-0.13 μm 0.13-0.015 μm (aerodynamic particle size) and 15-30 nm, 30-60 nm, 60-130 nm, 130-250 nm, 250-500 nm, 0.5-1 μm, 1-2 μm, 2-4 μm, 4-8 μm, 8-16 μm. Prior to the sampling 'bounce off' effects on Silicone and Vaseline coated Si carriers were studied with total reflection X-ray fluorescence. According to the results silicone coated carriers were chosen for the analysis. Additionally, blank levels originating from the sampling device and the calibration procedure were studied. Blank levels of Fe corresponded to 1-10% of Fe in the aerosol samples. Blank levels stemming from the internal standard were found to be negligible. The results from the Synchroton radiation total reflection X-ray fluorescence analysis of the aerosols showed that 20 min of sampling time gave still enough sample material for elemental determination of most elements. For the determination of the oxidation state of Fe in the aerosols different Fe salts were prepared as a reference from suspensions in isopropanol. The results from the Fe K-edge Synchroton radiation total reflection X-ray fluorescence-X-ray absorption near-edge structure analysis of the aerosol samples showed that mainly Fe(III) was present in all particle size fractions

Near-edge X-ray absorption fine structure studies of Cr{sub 1−x}M{sub x}N coatings

Energy Technology Data Exchange (ETDEWEB)

Mahbubur Rahman, M. [School of Engineering and Information Technology, Murdoch University, Murdoch, WA 6150 (Australia); Department of Physics, Jahangirnagar University, Savar, Dhaka 1342 (Bangladesh); Duan, Alex [School of Chemistry, The University of Melbourne, Parkville, VIC 3010 (Australia); Jiang, Zhong-Tao, E-mail: Z.Jiang@murdoch.edu.au [School of Engineering and Information Technology, Murdoch University, Murdoch, WA 6150 (Australia); Xie, Zonghan [School of Mechanical Engineering, University of Adelaide, SA 5005 (Australia); School of Engineering, Edith Cowan University, WA 6027 (Australia); Wu, Alex [School of Chemistry, The University of Melbourne, Parkville, VIC 3010 (Australia); Amri, Amun [Department of Chemical Engineering, Riau University, Pekanbaru (Indonesia); Cowie, Bruce [Australian Synchrotron, 800 Blackburn Rd., Clayton, VIC 3168 (Australia); Yin, Chun-Yang [Chemical and Analytical Sciences, Murdoch University, Murdoch, WA 6150 (Australia)

2013-11-25

Highlights: •Al or Si is doped on CrN and AlN coatings using magnetron sputtering system. •NEXAFS analysis is conducted to measure the Al and Si K-edges, and chromium L-edge. •Structural evolution of CrN matrix with addition of Al or Si element is investigated. -- Abstract: Cr{sub 1−x}M{sub x}N coatings, with doping concentrations (Si or Al) varying from 14.3 to 28.5 at.%, were prepared on AISI M2 tool steel substrates using a TEER UDP 650/4 closed field unbalanced magnetron sputtering system. Near-edge X-ray absorption fine structure (NEXAFS) characterization was carried out to measure the aluminum and silicon K-edges, as well as chromium L-edge, in the coatings. Two soft X-ray techniques, Auger electron yield (AEY) and total fluorescence yield (TFY), were employed to investigate the surface and inner structural properties of the materials in order to understand the structural evolution of CrN matrix with addition of Al (or Si) elements. Investigations on the local bonding states and grain boundaries of the coatings, using NEXAFS technique, provide significant information which facilitates understanding of the local electronic structure of the atoms and shed light on the origins of the high mechanical strength and oxidation resistance of these technologically important coatings.

Extended X-ray absorption fine structure (EXAFS) studies of supported catalysts

International Nuclear Information System (INIS)

Joyner, R.W.

1979-01-01

Since the rebirth of interest in extended X-ray absorption fine structure there have been several studies of systems of catalytic interest. This note is a preliminary account of an investigation of supported platinum catalysts and NiO/Al 2 O 3 catalysts. Experiments were performed on pressed disc samples at the DESY synchrotron, Hamburg, using the EXAFS spectrometer. The synchrotron operated at 7 GeV energy with a circulating current of approximately 4 mA; spectrum accumulation time was typically 45 minutes. (author)

X-ray microdiffraction study of Cu interconnects

International Nuclear Information System (INIS)

Zhang, X.; Solak, H.; Cerrina, F.; Lai, B.; Cai, Z.; Ilinski, P.; Legnini, D.; Rodrigues, W.

2000-01-01

We have used x-ray microdiffraction to study the local structure and strain variation of copper interconnects. Different types of local microstructures have been found in different samples. Our data show that the Ti adhesion layer has a very dramatic effect on Cu microstructure. Strain measurement was conducted before and after electromigration test, Cu fluorescence was used to find the mass variations around voids and hillocks, and x-ray microdiffraction was used to measure the strain change around that interested region. (c) 2000 American Institute of Physics

Synthesis and X-ray structure of the dysprosium(III) complex derived ...

African Journals Online (AJOL)

Synthesis and X-ray structure of the dysprosium(III) complex derived from the ligand 5-chloro-1 ... Bulletin of the Chemical Society of Ethiopia ... synthesized and its crystal structure determined by single X-ray diffraction at room temperature.

Covering complete proteomes with X-ray structures: a current snapshot

Energy Technology Data Exchange (ETDEWEB)

Mizianty, Marcin J.; Fan, Xiao; Yan, Jing; Chalmers, Eric; Woloschuk, Christopher [University of Alberta, Edmonton, Alberta T6G 2V4 (Canada); Joachimiak, Andrzej, E-mail: andrzejj@anl.gov [Argonne National Laboratory, Argonne, IL 60439 (United States); Kurgan, Lukasz, E-mail: andrzejj@anl.gov [University of Alberta, Edmonton, Alberta T6G 2V4 (Canada)

2014-11-01

The current and the attainable coverage by X-ray structures of proteins and their functions on the scale of the ‘protein universe’ are estimated. A detailed analysis of the coverage across nearly 2000 proteomes from all superkingdoms of life and functional annotations is performed, with particular focus on the human proteome and the family of GPCR proteins. Structural genomics programs have developed and applied structure-determination pipelines to a wide range of protein targets, facilitating the visualization of macromolecular interactions and the understanding of their molecular and biochemical functions. The fundamental question of whether three-dimensional structures of all proteins and all functional annotations can be determined using X-ray crystallography is investigated. A first-of-its-kind large-scale analysis of crystallization propensity for all proteins encoded in 1953 fully sequenced genomes was performed. It is shown that current X-ray crystallographic knowhow combined with homology modeling can provide structures for 25% of modeling families (protein clusters for which structural models can be obtained through homology modeling), with at least one structural model produced for each Gene Ontology functional annotation. The coverage varies between superkingdoms, with 19% for eukaryotes, 35% for bacteria and 49% for archaea, and with those of viruses following the coverage values of their hosts. It is shown that the crystallization propensities of proteomes from the taxonomic superkingdoms are distinct. The use of knowledge-based target selection is shown to substantially increase the ability to produce X-ray structures. It is demonstrated that the human proteome has one of the highest attainable coverage values among eukaryotes, and GPCR membrane proteins suitable for X-ray structure determination were determined.

Covering complete proteomes with X-ray structures: a current snapshot

International Nuclear Information System (INIS)

Mizianty, Marcin J.; Fan, Xiao; Yan, Jing; Chalmers, Eric; Woloschuk, Christopher; Joachimiak, Andrzej; Kurgan, Lukasz

2014-01-01

The current and the attainable coverage by X-ray structures of proteins and their functions on the scale of the ‘protein universe’ are estimated. A detailed analysis of the coverage across nearly 2000 proteomes from all superkingdoms of life and functional annotations is performed, with particular focus on the human proteome and the family of GPCR proteins. Structural genomics programs have developed and applied structure-determination pipelines to a wide range of protein targets, facilitating the visualization of macromolecular interactions and the understanding of their molecular and biochemical functions. The fundamental question of whether three-dimensional structures of all proteins and all functional annotations can be determined using X-ray crystallography is investigated. A first-of-its-kind large-scale analysis of crystallization propensity for all proteins encoded in 1953 fully sequenced genomes was performed. It is shown that current X-ray crystallographic knowhow combined with homology modeling can provide structures for 25% of modeling families (protein clusters for which structural models can be obtained through homology modeling), with at least one structural model produced for each Gene Ontology functional annotation. The coverage varies between superkingdoms, with 19% for eukaryotes, 35% for bacteria and 49% for archaea, and with those of viruses following the coverage values of their hosts. It is shown that the crystallization propensities of proteomes from the taxonomic superkingdoms are distinct. The use of knowledge-based target selection is shown to substantially increase the ability to produce X-ray structures. It is demonstrated that the human proteome has one of the highest attainable coverage values among eukaryotes, and GPCR membrane proteins suitable for X-ray structure determination were determined

Coherent X-ray diffraction studies of mesoscopic materials

International Nuclear Information System (INIS)

Shabalin, Anatoly

2015-12-01

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

Application of the X-ray diffractometer DRON to the study of long period structures

International Nuclear Information System (INIS)

Gordelij, V.I.; Lushchikov, V.I.; Syrykh, A.G.; Cherezon, V.G.

1991-01-01

It is shown that the stock-produced X-ray diffractometer DRON can be adapted for the study of long period structures up to ∼150 A. The experimental data on small-angle diffraction spectra, measured on it, from both lamellar and lateral structures of biological and lipid membranes are reported. The data show that lattice constants of these structures could be determined within the accuracy of 1 A. 15 refs.; 7 figs

Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

Science.gov (United States)

2013-01-01

Background Hydrogen atoms represent about half of the total number of atoms in proteins and are often involved in substrate recognition and catalysis. Unfortunately, X-ray protein crystallography at usual resolution fails to access directly their positioning, mainly because light atoms display weak contributions to diffraction. However, sub-Ångstrom diffraction data, careful modeling and a proper refinement strategy can allow the positioning of a significant part of hydrogen atoms. Results A comprehensive study on the X-ray structure of the diisopropyl-fluorophosphatase (DFPase) was performed, and the hydrogen atoms were modeled, including those of solvent molecules. This model was compared to the available neutron structure of DFPase, and differences in the protein and the active site solvation were noticed. Conclusions A further examination of the DFPase X-ray structure provides substantial evidence about the presence of an activated water molecule that may constitute an interesting piece of information as regard to the enzymatic hydrolysis mechanism. PMID:23915572

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

DEFF Research Database (Denmark)

Frankær, Christian Grundahl

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

Astrophysical extended X-ray absorption fine-structure analysis

International Nuclear Information System (INIS)

Woo, J.W.; Forrey, R.C.; Cho, K.; Department of Physics and Division of Applied Sciences, Harvard University)

1997-01-01

We present an astrophysical extended X-ray absorption fine-structure (EXAFS) analysis (AEA) tool. The AEA tool is designed to generate a numerical model of the modification to the X-ray absorption coefficient due to the EXAFS phenomenon. We have constructed a complete database (elements up to the atomic number 92) of EXAFS parameters: central atom phase shift (2δ 1 ), backscattering phase shift (φ b ), and backscattering amplitude (F). Using the EXAFS parameter data base, the AEA tool can generate a numerical model of any compound when the atomic numbers of neighboring atoms and their distances to the central X-ray-absorbing atom are given. copyright 1997 The American Astronomical Society

X-ray diffractometric study on the near-surface layer structure in parallel glancing rays

International Nuclear Information System (INIS)

Shtypulyak, N.I.; Yakimov, I.I.; Litvintsev, V.V.

1988-01-01

X-ray diffraction method is suggested to use to investigate thin films and near-surface layers under the conditions of total external reflection (TER) and in the geometry of parallel glancing rays. Experimental realization of the method using the DRON-30 diffractometer is described. Calculation for the required width of the aperture of Soller slot system is presented. The described diffraction scheme is used to investigate thin film crystal structure at glancing angles in the range from TER up to 8-10 deg. The thickness of the investigated layer in this case changes from 2.5-8 nm up to 10 3 nm. The suggested diffraction method in parallel glancing rays is especially important when investigating the films with thickness lower than 1000-2000A

X-ray absorption spectroscopy: EXAFS and XANES - A versatile tool to study the atomic and electronic structure of materials

International Nuclear Information System (INIS)

Alp, E.E.; Mini, S.M.; Ramanathan, M.

1990-01-01

X-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. The correct interpretation of the oscillatory structure in the x-ray absorption cross-section above the absorption edge has transformed XAS from a spectroscopic tool to a structural technique. EXAFS (Extended X-ray Absorption Fine Structure) yields information about the interatomic distances, near neighbor coordination numbers, and lattice dynamics. XANES (X-ray Absorption Near Edge Structure), on the other hand, gives information about the valence state, energy bandwidth and bond angles. Today, there are about 50 experimental stations in various synchrotrons around the world dedicated to collecting x-ray absorption data from the bulk and surfaces of solids and liquids. In this chapter, they will give the basic principles of XAS, explain the information content of essentially two different aspects of the absorption process leading to EXAFS and XANES, and discuss the source and sample limitations

X-ray specular reflection and fluorescence study of nano-films

International Nuclear Information System (INIS)

Zheludeva, S.; Novikova, N.

2001-01-01

The techniques that combine the advantages of high-resolution structure sensitive x-ray methods with spectroscopic selectivity of data obtained are shown to be extremely promising for characterization of organic and inorganic nano films and nano structures. Fluorescence yield angular dependences exited by complicated evanescent wave / x-ray standing wave pattern at total reflection and glancing incidence can be used to detect structure position of different ions in organic systems and alien interfacial layers in inorganic multilayers;, to get information about interdiffusion at the interfaces of Langmuir- Blodgett (L-B) films and artificial inorganic - x-ray mirrors; to study ion permeation through L-B nano structures - models of biomembrans; to obtain nano - film thickness and density; to get precisely the parameters of small d-space multilayer mirrors, ets

Pollen structure visualization using high-resolution laboratory-based hard X-ray tomography.

Science.gov (United States)

Li, Qiong; Gluch, Jürgen; Krüger, Peter; Gall, Martin; Neinhuis, Christoph; Zschech, Ehrenfried

2016-10-14

A laboratory-based X-ray microscope is used to investigate the 3D structure of unstained whole pollen grains. For the first time, high-resolution laboratory-based hard X-ray microscopy is applied to study pollen grains. Based on the efficient acquisition of statistically relevant information-rich images using Zernike phase contrast, both surface- and internal structures of pine pollen - including exine, intine and cellular structures - are clearly visualized. The specific volumes of these structures are calculated from the tomographic data. The systematic three-dimensional study of pollen grains provides morphological and structural information about taxonomic characters that are essential in palynology. Such studies have a direct impact on disciplines such as forestry, agriculture, horticulture, plant breeding and biodiversity. Copyright © 2016 Elsevier Inc. All rights reserved.

Structural study of SiC(0 0 0 1)3x3 surface by surface X-ray diffraction

International Nuclear Information System (INIS)

Aoyama, T.; Akimoto, K.; Ichimiya, A.; Hisada, Y.; Mukainakano, S.; Emoto, T.; Tajiri, H.; Takahashi, T.; Sugiyama, H.; Zhang, X.; Kawata, H.

2003-01-01

Surface structure of 6H-SiC(0 0 0 1)3x3 reconstruction has been studied by grazing incidence X-ray diffraction with synchrotron radiation. We compared the Patterson map obtained from experimental structure factors with calculated Patterson maps estimated from the models that had been proposed. As the result, the calculated Patterson maps of Kulakov et al.'s [Surf. Sci. 346 (1996) 49] and Starke and coworkers' models [Phys. Rev. Lett. 80 (1998) 758; Phys. Rev. B 58 (1998) 10806; Surf. Rev. Lett. 6 (1999) 1129; Appl. Surf. Sci. 162-163 (2000) 9; Phys. Rev. B 62 (2000) 10335] are relatively in good agreement with experimental one. Therefore, we conclude that there is high possibility that either Kulakov et al.'s or Starke and coworkers' models are reasonable as the actual 3x3 structure

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

DEFF Research Database (Denmark)

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

1992-01-01

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

Application of X-ray phase-contrast tomography in quantative studies of heat induced structural changes in meat

DEFF Research Database (Denmark)

Miklos, R.; Nielsen, M. S.; Einarsdottir, Hildur

2013-01-01

X-ray computed tomography is increasingly used in the studies of food structure. This paper describes the perspectives of use of phase contrast computed tomography in studies of heat induced structural changes in meat. From the data it was possible to obtain reconstructed images of the sample...... structure for visualization and qualitative studies of the sample structure. Further data segmentation allowed structural changes to be quantified....

Structure of polysaccharide and structural analysis by x-ray

International Nuclear Information System (INIS)

Yuguchi, Yoshiaki

2010-01-01

Polysaccharides occur in plants and the living body in the solid, gel, or liquid. They have a highly structural diversity and possess the potential to be used for development of new materials and energy sources. So it is very important to understand their molecular structure under various conditions. This review introduces the structural characteristics of polysaccharides and the examples of their analysis by the X-ray scattering method. (author)

X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase

DEFF Research Database (Denmark)

Yennawar, Hemant; Møller, Magda; Gillilan, Richard

2011-01-01

The X-ray crystal structure of sheep liver sorbitol dehydrogenase (slSDH) has been determined using the crystal structure of human sorbitol dehydrogenase (hSDH) as a molecular-replacement model. slSDH crystallized in space group I222 with one monomer in the asymmetric unit. A conserved tetramer...

X-Ray Absorption Near-Edge Structure (XANES) of Calcium L3,2 Edges of Various Calcium Compounds and X-Ray Excited Optical Luminescence (XEOL) Studies of Luminescent Calcium Compounds

International Nuclear Information System (INIS)

Ko, J. Y. Peter; Zhou Xingtai; Sham, T.-K.; Heigl, Franziskus; Regier, Tom; Blyth, Robert

2007-01-01

X-ray absorption at calcium L3,2 edges of various calcium compounds were measured using a high resolution Spherical Grating Monochromator (SGM) at the Canadian Light Source (CLS). We observe that each compound has its unique fine structure of L3,2 edges. This uniqueness is due to differences in local structure of compounds. We also performed (X-ray Excited Optical Luminescence) XEOL of selected luminescent calcium compounds to investigate their optical properties. XEOL is a photon-in-photon-out technique in which the optical luminescence that is excited by tunable x-rays from a synchrotron light source is monitored. Depending on excitation energy of the x-ray, relative intensities of luminescence peaks vary. Recent findings of the results will be presented here

Magnetic x-ray microdiffraction

Energy Technology Data Exchange (ETDEWEB)

Evans, Paul G [Computer-Aided Engineering Center, University of Wisconsin, Madison, WI 53706 (United States); Isaacs, Eric D [Center for Nanoscale Materials, Argonne National Laboratory, Argonne, IL 60439 (United States)

2006-08-07

Magnetic x-ray microdiffraction uses the structural specificity of x-ray diffraction to probe complex magnetic structures at the length scales relevant to physical phenomena including domain dynamics and phase transitions. Conventional magnetic crystallography techniques such as neutron or x-ray diffraction lack this spatial resolution. The combination of both reciprocal space and real space resolution with a rich magnetic cross section allows new microscopy techniques to be developed and applied to magnetism at the scale of single domains. Potential applications include a wide range of magnetic problems in nanomagnetism, the interaction of strain, polarization and magnetization in complex oxides and spatially resolved studies of magnetic phase transitions. We present the physical basis for x-ray microdiffraction and magnetic scattering processes, review microdiffraction domain imaging techniques in antiferromagnetic and ferromagnetic materials and discuss potential directions for studies. (topical review)

Near edge x-ray spectroscopy theory

International Nuclear Information System (INIS)

1994-01-01

We propose to develop a quantitative theory of x-ray spectroscopies in the near edge region, within about 100 eV of threshold. These spectroscopies include XAFS (X-ray absorption fine structure), photoelectron diffraction (PD), and diffraction anomalous fine structure (DAFS), all of which are important tools for structural studies using synchrotron radiation x-ray sources. Of primary importance in these studies are many-body effects, such as the photoelectron self-energy, and inelastic losses. A better understanding of these quantities is needed to obtain theories without adjustable parameters. We propose both analytical and numerical calculations, the latter based on our x-ray spectroscopy codes FEFF

Where Water is Oxidized to Dioxygen: Structure of the Photosynthetic Mn4Ca Cluster from X-ray Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Yano, Junko; Yano, Junko; Yachandra, Vittal K.

2007-10-24

Light-driven oxidation of water to dioxygen in plants, algae and cyanobacteria iscatalyzed within photosystem II (PS II) by a Mn4Ca cluster. Although the cluster has been studied by many different methods, the structure and the mechanism have remained elusive. X-ray absorption and emission spectroscopy and EXAFS studies have been particularly useful in probing the electronic and geometric structure, and the mechanism of the water oxidation reaction. Recent progress, reviewed here, includes polarized X-ray absorption spectroscopy measurements of PS II single crystals. Analysis of those results has constrained the Mn4Ca cluster geometry to a setof three similar high-resolution structures. The structure of the cluster from the present study is unlike either the 3.0 or 3.5 Angstrom-resolution X-ray structures or other previously proposed models. The differences between the models derived from X-rayspectroscopy and crystallography are predominantly because of damage to the Mn4Ca cluster by X-rays under the conditions used for structure determination by X-ray crystallography. X-ray spectroscopy studies are also used for studying the changes in the structure of the Mn4Ca catalytic center as it cycles through the five intermediate states known as the Si-states (i=0-4). The electronic structure of the Mn4Ca cluster has been studied more recently using resonant inelastic X-ray scattering spectroscopy (RIXS), in addition to the earlier X-ray absorption and emission spectroscopy methods. These studies are revealing that the assignment of formaloxidation states is overly simplistic. A more accurate description should consider the charge density on the Mn atoms that includes the covalency of the bonds and delocalization of the charge over the cluster. The geometric and electronic structure of the Mn4Ca cluster in the S-states derived from X-ray spectroscopy are leading to a detailed understanding of the mechanism of the O-O bond formation during the photosynthetic water

Use of x-ray radiographic methods in the study of clay liners

International Nuclear Information System (INIS)

Malone, P.G.; May, J.H.; Brown, K.W.; Thomas, J.C.

1986-01-01

X-ray radiography has been widely used in soil investigation to study the distribution of layers in soil cores and the effects of changing conditions (loading or impact) on soil structure. X-ray radiographic techniques also can be useful in studying clays or clay soils used in liners. Laboratory investigations were undertaken to demonstrate that X-ray radiographic techniques could be used to detect density and soil structure changes that usually accompany variations in hydraulic conductivity of clay liners. An example of a real-time test of a simulated bentonite and sand, liner attacked with acid lead nitrate and examples of radiographic examination of clay soil (non-calcareous smectite) samples that have been permeated by lead acetate or lead nitrate are presented. The changes in density and structure can be related to changes observed in hydraulic conductivity during permeation. X-ray radiography easily can be applied to field samples of soil or clay liner materials to detect density and structural changes that occur as the liner and permeating fluid interact. X-ray techniques have applications in both understanding failure mechanisms and forecasting liner performance

Hard X-ray irradiation of cosmic silicate analogs: structural evolution and astrophysical implications

Science.gov (United States)

Gavilan, L.; Jäger, C.; Simionovici, A.; Lemaire, J. L.; Sabri, T.; Foy, E.; Yagoubi, S.; Henning, T.; Salomon, D.; Martinez-Criado, G.

2016-03-01

Context. Protoplanetary disks, interstellar clouds, and active galactic nuclei contain X-ray-dominated regions. X-rays interact with the dust and gas present in such environments. While a few laboratory X-ray irradiation experiments have been performed on ices, X-ray irradiation experiments on bare cosmic dust analogs have been scarce up to now. Aims: Our goal is to study the effects of hard X-rays on cosmic dust analogs via in situ X-ray diffraction. By using a hard X-ray synchrotron nanobeam, we seek to simulate cumulative X-ray exposure on dust grains during their lifetime in these astrophysical environments and provide an upper limit on the effect of hard X-rays on dust grain structure. Methods: We prepared enstatite (MgSiO3) nanograins, which are analogs to cosmic silicates, via the melting-quenching technique. These amorphous grains were then annealed to obtain polycrystalline grains. These were characterized via scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) before irradiation. Powder samples were prepared in X-ray transparent substrates and were irradiated with hard X-rays nanobeams (29.4 keV) provided by beamline ID16B of the European Synchrotron Radiation Facility (Grenoble). X-ray diffraction images were recorded in transmission mode, and the ensuing diffractograms were analyzed as a function of the total X-ray exposure time. Results: We detected the amorphization of polycrystalline silicates embedded in an organic matrix after an accumulated X-ray exposure of 6.4 × 1027 eV cm-2. Pure crystalline silicate grains (without resin) do not exhibit amorphization. None of the amorphous silicate samples (pure and embedded in resin) underwent crystallization. We analyze the evolution of the polycrystalline sample embedded in an organic matrix as a function of X-ray exposure. Conclusions: Loss of diffraction peak intensity, peak broadening, and the disappearance of discrete spots and arcs reveal the amorphization

X-ray structural studies of quinone reductase 2 nanomolar range inhibitors

Energy Technology Data Exchange (ETDEWEB)

Pegan, Scott D.; Sturdy, Megan; Ferry, Gilles; Delagrange, Philippe; Boutin, Jean A.; Mesecar, Andrew D. (IdRS); (Purdue); (Colorado); (UIC)

2011-09-06

Quinone reductase 2 (QR2) is one of two members comprising the mammalian quinone reductase family of enzymes responsible for performing FAD mediated reductions of quinone substrates. In contrast to quinone reductase 1 (QR1) which uses NAD(P)H as its co-substrate, QR2 utilizes a rare group of hydride donors, N-methyl or N-ribosyl nicotinamide. Several studies have linked QR2 to the generation of quinone free radicals, several neuronal degenerative diseases, and cancer. QR2 has been also identified as the third melatonin receptor (MT3) through in cellulo and in vitro inhibition of QR2 by traditional MT3 ligands, and through recent X-ray structures of human QR2 (hQR2) in complex with melatonin and 2-iodomelatonin. Several MT3 specific ligands have been developed that exhibit both potent in cellulo inhibition of hQR2 nanomolar, affinity for MT3. The potency of these ligands suggest their use as molecular probes for hQR2. However, no definitive correlation between traditionally obtained MT3 ligand affinity and hQR2 inhibition exists limiting our understanding of how these ligands are accommodated in the hQR2 active site. To obtain a clearer relationship between the structures of developed MT3 ligands and their inhibitory properties, in cellulo and in vitro IC{sub 50} values were determined for a representative set of MT3 ligands (MCA-NAT, 2-I-MCANAT, prazosin, S26695, S32797, and S29434). Furthermore, X-ray structures for each of these ligands in complex with hQR2 were determined allowing for a structural evaluation of the binding modes of these ligands in relation to the potency of MT3 ligands.

Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures

Energy Technology Data Exchange (ETDEWEB)

McLean, Larry R.; Zhang, Ying; Degnen, William; Peppard, Jane; Cabel, Dasha; Zou, Chao; Tsay, Joseph T.; Subramaniam, Arun; Vaz, Roy J.; Li, Yi (Sanofi)

2010-10-28

Amino-benzoic acid derivatives 1-4 were found to be inhibitors for DHODH by virtual screening, biochemical, and X-ray crystallographic studies. X-ray structures showed that 1 and 2 bind to DHODH as predicted by virtual screening, but 3 and 4 were found to be structurally different from the corresponding compounds initially identified by virtual screening.

Electronic structure of human hemoglobin: ultrasoft X-ray emission study

International Nuclear Information System (INIS)

Soldatov, A.V.; Kravtsova, A.N.; Fedorovich, E.N.; Kurmaev, E.Z.; Moewes, A.

2004-01-01

Full text: The iron L 2,3 and carbon, nitrogen and oxygen Kα X-ray emission spectra (XES) of human hemoglobin have been recorded at the soft X-ray spectroscopy endstation on Undulator Beam line 8.0 at Advanced Light Source (ALS) located at the Lawrence Berkeley National Laboratory. The theoretical calculations of Fe L 3 -XES have been performed using ab initio code FEFF8.2. The calculations have been carried out for the structure of hemoglobin presented in PDB (entry 3HHB) as well as for the molecule with symmetrical heme plane. It was found that the Fe L 3 emission spectrum calculated for the ideal molecule agrees slightly better with the experiment as compared with those calculated for the real molecule. Thus, one can use the structure of the ideal molecule for theoretical Fe L 3 -XES simulations. The theoretical analysis has shown that the fist peak of experimental Fe L 3 - emission spectrum is enhanced by the nearest nitrogen atoms lying in heme plane around the central iron atom. The theoretical C K- and N K-XES spectra of hemoglobin have been calculated. A good agreement between theoretical and experimental spectra has been obtained. The distribution of the partial electronic densities of states in the valence and conduction bands of hemoglobin has been determined

A cell for extended x-ray absorption fine structure studies of oxygen sensitive products of redox reactions

International Nuclear Information System (INIS)

Furenlid, L.R.; Renner, M.W.; Fajer, J.

1990-01-01

We describe a cell suitable for extended x-ray absorption fine structure (EXAFS) studies of oxygen and/or water sensitive products of redox reactions. The cell utilizes aluminized Mylar windows that are transparent to x rays, provide low gas permeability, and allow vacuum to be maintained in the cell. The windows are attached to the glassware with an epoxy that resists attack by common organic solvents. Additional side arms allow multiple spectroscopic probes of the same sample under anaerobic and anhydrous conditions

Phase Transformation and Lithiation Effect on Electronic Structure of LixFePO4 : An In-Depth Study by Soft X-ray and Simulations

NARCIS (Netherlands)

Liu, Xiaosong; Liu, Jun; Qiao, Ruimin; Yu, Yan; Li, Hong; Suo, Liumin; Hu, Yong-sheng; Chuang, Yi-De; Shu, Guojiun; Chou, Fangcheng; Weng, Tsu-Chien; Nordlund, Dennis; Sokaras, Dimosthenis; Wang, Yung Jui; Lin, Hsin; Barbiellini, Bernardo; Bansil, Arun; Song, Xiangyun; Liu, Zhi; Yan, Shishen; Liu, Gao; Qjao, Shan; Richardson, Thomas J.; Prendergast, David; Hussain, Zahid; de Groot, Frank M. F.|info:eu-repo/dai/nl/08747610X; Yang, Wanli

2012-01-01

Through soft X-ray absorption spectroscopy, hard X-ray Raman scattering, and theoretical simulations, we provide the most in-depth and systematic study of the phase transformation and (de)lithiation effect on electronic structure in LixFePO4 nanoparticles and single crystals. Soft X-ray reveals

Hard X-ray Microscopy with Elemental, Chemical and Structural Contrast

International Nuclear Information System (INIS)

Schroer, C.G.; Boye, P.; Feldkamp, J.P.

2010-01-01

We review hard X-ray microscopy techniques with a focus on scanning microscopy with synchrotron radiation. Its strength compared to other microscopies is the large penetration depth of hard x rays in matter that allows one to investigate the interior of an object without destructive sample preparation. In combination with tomography, local information from inside of a specimen can be obtained, even from inside special non-ambient sample environments. Different X-ray analytical techniques can be used to produce contrast, such as X-ray absorption, fluorescence, and diffraction, to yield chemical, elemental, and structural information about the sample, respectively. This makes X-ray microscopy attractive to many fields of science, ranging from physics and chemistry to materials, geo-, and environmental science, biomedicine, and nanotechnology. Our scanning microscope based on nanofocusing refractive X-ray lenses has a routine spatial resolution of about 100 nm and supports the contrast mechanisms mentioned above. In combination with coherent X-ray diffraction imaging, the spatial resolution can be improved to the 10 nm range. The current state-of-the-art of this technique is illustrated by several examples, and future prospects of the technique are given. (author)

Precision mechanical structure of an ultra-high-resolution spectrometer for inelastic X-ray scattering instrument

Science.gov (United States)

Shu, Deming; Shvydko, Yuri; Stoupin, Stanislav A.; Khachatryan, Ruben; Goetze, Kurt A.; Roberts, Timothy

2015-04-14

A method and an ultrahigh-resolution spectrometer including a precision mechanical structure for positioning inelastic X-ray scattering optics are provided. The spectrometer includes an X-ray monochromator and an X-ray analyzer, each including X-ray optics of a collimating (C) crystal, a pair of dispersing (D) element crystals, anomalous transmission filter (F) and a wavelength (W) selector crystal. A respective precision mechanical structure is provided with the X-ray monochromator and the X-ray analyzer. The precision mechanical structure includes a base plate, such as an aluminum base plate; positioning stages for D-crystal alignment; positioning stages with an incline sensor for C/F/W-crystal alignment, and the positioning stages including flexure-based high-stiffness structure.

X-ray and neutron scattering studies of complex confined fluids

International Nuclear Information System (INIS)

Sinha, S. K.

1999-01-01

We review recent X-ray and neutron scattering studies of the structure and dynamics of confined complex fluids. This includes the study of polymer conformations and binary fluid phase transitions in porous media using Small Angle Neutron scattering, and the use of synchrotrons radiation to study ordering and fluctuation phenomena at solid/liquid and liquid/air interfaces. Ordering of liquids near a solid surface or in confinement will be discussed, and the study, via specular and off-specular X-ray reflectivity, of capillary wave fluctuations on liquid polymer films. Finally, we shall discuss the use of high-brilliance beams from X-ray synchrotrons to study via photon correlation spectroscopy the slow dynamics of soft condensed matter systems

Annealing induced atomic rearrangements on (Ga,In) (N,As) probed by hard X-ray photoelectron spectroscopy and X-ray absorption fine structure.

Science.gov (United States)

Ishikawa, Fumitaro; Higashi, Kotaro; Fuyuno, Satoshi; Morifuji, Masato; Kondow, Masahiko; Trampert, Achim

2018-04-13

We study the effects of annealing on (Ga 0.64 ,In 0.36 ) (N 0.045 ,As 0.955 ) using hard X-ray photoelectron spectroscopy and X-ray absorption fine structure measurements. We observed surface oxidation and termination of the N-As bond defects caused by the annealing process. Specifically, we observed a characteristic chemical shift towards lower binding energies in the photoelectron spectra related to In. This phenomenon appears to be caused by the atomic arrangement, which produces increased In-N bond configurations within the matrix, as indicated by the X-ray absorption fine structure measurements. The reduction in the binding energies of group-III In, which occurs concomitantly with the atomic rearrangements of the matrix, causes the differences in the electronic properties of the system before and after annealing.

Fine surface structure of unfixed and hydrated macrophages observed by laser-plasma x-ray contact microscopy

International Nuclear Information System (INIS)

Yamamoto, Yoshimasa; Friedman, Herman; Yoshimura, Hideyuki; Kinjo, Yasuhito; Shioda, Seiji; Debari, Kazuhiro; Shinohara, Kunio; Rajyaguru, Jayshree; Richardson, Martin

2000-01-01

A compact, high-resolution, laser-plasma, x-ray contact microscope using a table-top Nd:glass laser system has been developed and utilized for the analysis of the surface structure of live macrophages. Fine fluffy surface structures of murine peritoneal macrophages, which were live, hydrolyzed and not sliced and stained, were observed by the x-ray microscope followed by analysis using an atomic force microscopy. In order to compare with other techniques, a scanning electron microscopy (SEM) was utilized to observe the surface structure of the macrophages. The SEM offered a fine whole cell image of the same macrophages, which were fixed and dehydrated, but the surfaces were ruffled and different from that of x-ray images. A standard light microscope was also utilized to observe the shape of live whole macrophages. Light microscopy showed some fluffy surface structures of the macrophages, but the resolution was too low to observe the fine structures. Thus, the findings of fine fluffy surface structures of macrophages by x-ray microscopy provide valuable information for studies of phagocytosis, cell spreading and adherence, which are dependent on the surface structure of macrophages. Furthermore, the present study also demonstrates the usefulness of x-ray microscopy for analysis of structures of living cells

X-ray crystallography

Science.gov (United States)

2001-01-01

X-rays diffracted from a well-ordered protein crystal create sharp patterns of scattered light on film. A computer can use these patterns to generate a model of a protein molecule. To analyze the selected crystal, an X-ray crystallographer shines X-rays through the crystal. Unlike a single dental X-ray, which produces a shadow image of a tooth, these X-rays have to be taken many times from different angles to produce a pattern from the scattered light, a map of the intensity of the X-rays after they diffract through the crystal. The X-rays bounce off the electron clouds that form the outer structure of each atom. A flawed crystal will yield a blurry pattern; a well-ordered protein crystal yields a series of sharp diffraction patterns. From these patterns, researchers build an electron density map. With powerful computers and a lot of calculations, scientists can use the electron density patterns to determine the structure of the protein and make a computer-generated model of the structure. The models let researchers improve their understanding of how the protein functions. They also allow scientists to look for receptor sites and active areas that control a protein's function and role in the progress of diseases. From there, pharmaceutical researchers can design molecules that fit the active site, much like a key and lock, so that the protein is locked without affecting the rest of the body. This is called structure-based drug design.

Crystal defect studies using x-ray diffuse scattering

Energy Technology Data Exchange (ETDEWEB)

Larson, B.C.

1980-01-01

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

Crystal defect studies using x-ray diffuse scattering

International Nuclear Information System (INIS)

Larson, B.C.

1980-01-01

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

The atomic scale structure of CXV carbon: wide-angle x-ray scattering and modeling studies.

Science.gov (United States)

Hawelek, L; Brodka, A; Dore, J C; Honkimaki, V; Burian, A

2013-11-13

The disordered structure of commercially available CXV activated carbon produced from finely powdered wood-based carbon has been studied using the wide-angle x-ray scattering technique, molecular dynamics and density functional theory simulations. The x-ray scattering data has been converted to the real space representation in the form of the pair correlation function via the Fourier transform. Geometry optimizations using classical molecular dynamics based on the reactive empirical bond order potential and density functional theory at the B3LYP/6-31g* level have been performed to generate nanoscale models of CXV carbon consistent with the experimental data. The final model of the structure comprises four chain-like and buckled graphitic layers containing a small percentage of four-fold coordinated atoms (sp(3) defects) in each layer. The presence of non-hexagonal rings in the atomic arrangement has been also considered.

X-ray absorption near edge structure (XANES) study of some hydroxamic mixed ligand copper complexes

International Nuclear Information System (INIS)

Mishra, A; Parsai, N; Shrivastava, B D; Soni, N

2012-01-01

With the advent of modern bright synchrotron radiation sources, X-ray absorption spectra has emerged as a powerful technique for local structure determination, which can be applied to any type of material. The X-ray absorption measurements of four hydroxamic mixed ligand copper complexes have been performed at the recently developed BL-8 Dispersive EXAFS beamline at 2.5 GeV Indus-2 synchrotron at RRCAT, Indore, India. The X-ray absorption near edge structure (XANES) data obtained has been processed using data analysis program Athena. The energies of the K absorption edge, chemical shifts, edge-widths, shifts of the principal absorption maximum in the complexes have been determined. The values of the chemical shift suggest that copper is in oxidation state +2 in all of the complexes. The chemical shift data has been utilized to estimate effective nuclear charge on copper atom. The order of the chemical shifts has been correlated to the relative ionic character of the bonding in these complexes.

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

International Nuclear Information System (INIS)

McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

2014-01-01

A new real-space refinement method for low-resolution X-ray crystallography is presented. The method is based on the molecular dynamics flexible fitting protocol targeted at addressing large-scale deformations of the search model to achieve refinement with minimal manual intervention. An explanation of the method is provided, augmented by results from the refinement of both synthetic and experimental low-resolution data, including an independent electrophysiological verification of the xMDFF-refined crystal structure of a voltage-sensor protein. X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of d-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

Energy Technology Data Exchange (ETDEWEB)

McGreevy, Ryan; Singharoy, Abhishek [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Li, Qufei [The University of Chicago, Chicago, IL 60637 (United States); Zhang, Jingfen; Xu, Dong [University of Missouri, Columbia, MO 65211 (United States); Perozo, Eduardo [The University of Chicago, Chicago, IL 60637 (United States); Schulten, Klaus, E-mail: kschulte@ks.uiuc.edu [University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States)

2014-09-01

A new real-space refinement method for low-resolution X-ray crystallography is presented. The method is based on the molecular dynamics flexible fitting protocol targeted at addressing large-scale deformations of the search model to achieve refinement with minimal manual intervention. An explanation of the method is provided, augmented by results from the refinement of both synthetic and experimental low-resolution data, including an independent electrophysiological verification of the xMDFF-refined crystal structure of a voltage-sensor protein. X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of d-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

X-ray microscopy in Aarhus

International Nuclear Information System (INIS)

Uggerhoej, Erik; Abraham-Peskir, Joanna V.

2000-01-01

The Aarhus imaging soft X-ray microscope is now a busy multi-user facility. The optical set-up will be described and project highlights discussed. a) Metal-induced structural changes in whole cells in solution. The effects of aluminum, copper, nickel and zinc on protozoa investigated by using a combination of light microscopy, confocal scanning laser microscopy and X-ray microscopy. b) Botanical studies by X-ray microscopy used to compliment electron microscopy studies. c) Sludge morphology and iron precipitation in Danish freshwater plants by combining X-ray, scanning electron and transmission electron microscopy

Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers

International Nuclear Information System (INIS)

Parrot, I.M.; Urban, V.; Gardner, K.H.; Forsyth, V.T.

2005-01-01

The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar[reg] or Twaron[reg

Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers.

Energy Technology Data Exchange (ETDEWEB)

Parrot, I. M. [Institut Laue-Langevin (ILL); Urban, Volker S [ORNL; Gardner, K. H. [DuPont Experimental Station; Forsyth, V. T. [Institut Laue Langevin and Keele University

2005-04-01

The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar{reg_sign} or Twaron{reg_sign}.

Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers

Science.gov (United States)

Parrot, I. M.; Urban, V.; Gardner, K. H.; Forsyth, V. T.

2005-08-01

The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar® or Twaron®.

Combined X-ray and neutron fibre diffraction studies of biological and synthetic polymers

Energy Technology Data Exchange (ETDEWEB)

Parrot, I.M. [Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble Cedex 9 (France); Institute of Science and Technology in Medicine, Keele University Medical School, Staffordshire ST4 7QB (United Kingdom); Urban, V. [Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831-6100 (United States); Gardner, K.H. [Department of Materials Science and Engineering University of Delaware, Newark, DE 19719 (United States); Forsyth, V.T. [Institut Laue Langevin, 6 Rue Jules Horowitz, 38042 Grenoble Cedex 9 (France) and Institute of Science and Technology in Medicine, Keele University Medical School, Staffordshire ST4 7QB (United Kingdom)]. E-mail: tforsyth@ill.fr

2005-08-15

The fibrous state is a natural one for polymer molecules which tend to assume regular helical conformations rather than the globular structures characteristic of many proteins. Fibre diffraction therefore has broad application to the study of a wide range of biological and synthetic polymers. The purpose of this paper is to illustrate the general scope of the method and in particular to demonstrate the impact of a combined approach involving both X-ray and neutron diffraction methods. While the flux of modern X-ray synchrotron radiation sources allows high quality datasets to be recorded with good resolution within a very short space of time, neutron studies can provide unique information through the ability to locate hydrogen or deuterium atoms that are often difficult or impossible to locate using X-ray methods. Furthermore, neutron fibre diffraction methods can, through the ability to selectively label specific parts of a structure, be used to highlight novel aspects of polymer structure that can not be studied using X-rays. Two examples are given. The first describes X-ray and neutron diffraction studies of conformational transitions in DNA. The second describes structural studies of the synthetic high-performance polymer poly(p-phenylene terephthalamide) (PPTA), known commercially as Kevlar[reg] or Twaron[reg].

Structure and dynamics in liquid water from x-ray absorption spectroscopy

International Nuclear Information System (INIS)

Wernet, Philippe

2009-01-01

Oxygen K-edge x-ray absorption spectra of water are discussed. The spectra of gas-phase water, liquid water and ice illustrate the sensitivity of oxygen K-edge x-ray absorption spectroscopy to hydrogen bonding in water. Transmission mode spectra of amorphous and crystalline ice are compared to x-ray Raman spectra of ice. The good agreement consolidates the experimental spectrum of crystalline ice and represents an incentive for theoretical calculations of the oxygen K-edge absorption spectrum of crystalline ice. Time-resolved infrared-pump and x-ray absorption probe results are finally discussed in the light of this structural interpretation.

Cell survival studies using ultrasoft x rays

International Nuclear Information System (INIS)

Schillaci, M.E.; Raju, M.R.; Carpenter, S.; Cornforth, M.; Wilder, M.

1987-01-01

Cell survival was studied for V79 hamster, 10T1/2 mouse, and human skin fibroblast cell lines, using carbon K (0.28 keV), copper K (8.0 keV), and 250 kVp x rays. Because of the rapid attenuation of the carbon x rays, cellular dimensions at the time of exposure were measured using optical and electron microscopy, and frequency distributions of mean dose absorbed by the cell nucleus were obtained. The results indicate that the differences in cell killing between ultra-soft and hard x rays may depend on the nuclear thickness of the cells. Studies of the effects of hypoxia on V79 and 10T1/2 cells using carbon K, aluminum K (1.5 keV), and copper K x rays show decreasing OER values with decreasing x-ray energy and no difference between the two cell lines. Age response studies with V79 cells show similar cell-cycle variation of survival for carbon K and aluminum K x rays as for hard x rays

Modeling the X-ray Process, and X-ray Flaw Size Parameter for POD Studies

Science.gov (United States)

Koshti, Ajay M.

2014-01-01

Nondestructive evaluation (NDE) method reliability can be determined by a statistical flaw detection study called probability of detection (POD) study. In many instances, the NDE flaw detectability is given as a flaw size such as crack length. The flaw is either a crack or behaving like a crack in terms of affecting the structural integrity of the material. An alternate approach is to use a more complex flaw size parameter. The X-ray flaw size parameter, given here, takes into account many setup and geometric factors. The flaw size parameter relates to X-ray image contrast and is intended to have a monotonic correlation with the POD. Some factors such as set-up parameters, including X-ray energy, exposure, detector sensitivity, and material type that are not accounted for in the flaw size parameter may be accounted for in the technique calibration and controlled to meet certain quality requirements. The proposed flaw size parameter and the computer application described here give an alternate approach to conduct the POD studies. Results of the POD study can be applied to reliably detect small flaws through better assessment of effect of interaction between various geometric parameters on the flaw detectability. Moreover, a contrast simulation algorithm for a simple part-source-detector geometry using calibration data is also provided for the POD estimation.

Dynamical X-ray scattering from the relaxed structures

International Nuclear Information System (INIS)

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

2009-01-01

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

Electronic structure of YbNiX{sub 3} (X =Si, Ge) studied by hard X-ray photoemission spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Sato, Hitoshi; Shimada, Kenya; Namatame, Hirofumi [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046 (Japan); Utsumi, Yuki [Max-Planck Institute for Chemical Physics of Solids, 01187 Dresden (Germany); Kodama, Junichi; Nagata, Heisuke [Graduate School of Science, Hiroshima University, Kagamiyama 1-3-1, Higashi-Hiroshima 739-8526 (Japan); Avila, Marcos A.; Ribeiro, Raquel A. [Centro de Ciencias Naturais e Humanas, Universidade Federal do ABC, Santo Andre - SP, 09210-580 (Brazil); Umeo, Kazunori [Cryogenics and Instrumental Analysis Division, N-BARD, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Takabatake, Toshiro [Department of Quantum Matter, AdSM, Hiroshima University, Higashi-Hiroshima 739-8530 (Japan); Institute for Advanced Materials Research, Hiroshima University, Higashi-Hiroshima 739-8530 (Japan); Mimura, Kojiro; Motonami, Satoru; Anzai, Hiroaki [Graduate School of Engineering, Osaka Prefecture University, Sakai 599-8531 (Japan); Ueda, Shigenori [Synchrotron X-ray Station at SPring-8, National Institute for Materials Science, Hyogo 679-5148 (Japan); Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046 (Japan); Graduate School of Science, Hiroshima University, Kagamiyama 1-3-1, Higashi-Hiroshima 739-8526 (Japan)

2015-06-15

lectronic structure of the Kondo lattices YbNiX{sub 3} (X =Si, Ge) has been investigated by means of hard x-ray photoemission spectroscopy (HAXPES) with hν = 5.95 keV. From the Yb 3d HAXPES spectra, the Yb valence in YbNiSi{sub 3} is estimated to be ∝ 2.92, which is almost temperature-independent. On the other hand, the valence in YbNiGe{sub 3} is estimated to be 2.48 at 300 K, showing significant valence fluctuation, and gradually decreases to 2.41 at 20 K on cooling. The Ni 2p{sub 3/2} and Yb{sup 3+} 4f peaks exhibit opposite energy shifts amounting to ∝ 0.6 eV between YbNiSi{sub 3} and YbNiGe{sub 3}. We propose a simple model for the electronic structure of YbNiX{sub 3} based on the HAXPES results. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Composite structure of helicopter rotor blades studied by neutron- and X-ray radiography

International Nuclear Information System (INIS)

Balasko, M.; Veres, I.; Molnar, Gy.; Balasko, Zs.; Svab, E.

2004-01-01

In order to inspect the possible defects in the composite structure of helicopter rotor blades combined neutron- and X-ray radiography investigations were performed at the Budapest Research Reactor. Imperfections in the honeycomb structure, resin rich or starved areas at the core-honeycomb surfaces, inhomogeneities at the adhesive filling and water percolation at the sealing interfaces of the honeycomb sections were discovered

Composite structure of helicopter rotor blades studied by neutron- and X-ray radiography

Science.gov (United States)

Balaskó, M.; Veres, I.; Molnár, Gy.; Balaskó, Zs.; Sváb, E.

2004-07-01

In order to inspect the possible defects in the composite structure of helicopter rotor blades combined neutron- and X-ray radiography investigations were performed at the Budapest Research Reactor. Imperfections in the honeycomb structure, resin rich or starved areas at the core-honeycomb surfaces, inhomogeneities at the adhesive filling and water percolation at the sealing interfaces of the honeycomb sections were discovered.

Study of Cr/Sc-based multilayer reflecting mirrors using soft x-ray reflectivity and standing wave-enhanced x-ray fluorescence

Science.gov (United States)

Wu, Meiyi; Burcklen, Catherine; André, Jean-Michel; Guen, Karine Le; Giglia, Angelo; Koshmak, Konstantin; Nannarone, Stefano; Bridou, Françoise; Meltchakov, Evgueni; Rossi, Sébastien de; Delmotte, Franck; Jonnard, Philippe

2017-11-01

We study Cr/Sc-based multilayer mirrors designed to work in the water window range using hard and soft x-ray reflectivity as well as x-ray fluorescence enhanced by standing waves. Samples differ by the elemental composition of the stack, the thickness of each layer, and the order of deposition. This paper mainly consists of two parts. In the first part, the optical performances of different Cr/Sc-based multilayers are reported, and in the second part, we extend further the characterization of the structural parameters of the multilayers, which can be extracted by comparing the experimental data with simulations. The methodology is detailed in the case of Cr/B4C/Sc sample for which a three-layer model is used. Structural parameters determined by fitting reflectivity curve are then introduced as fixed parameters to plot the x-ray standing wave curve, to compare with the experiment, and confirm the determined structure of the stack.

Studies of protein structure in solution and protein folding using synchrotron small-angle x-ray scattering

Energy Technology Data Exchange (ETDEWEB)

Chen, Lingling [Stanford Univ., CA (United States)

1996-04-01

Synchrotron small angle x-ray scattering (SAXS) has been applied to the structural study of several biological systems, including the nitrogenase complex, the heat shock cognate protein (hsc70), and lysozyme folding. The structural information revealed from the SAXS experiments is complementary to information obtained by other physical and biochemical methods, and adds to our knowledge and understanding of these systems.

Surface geometry of BaO on W(100): A surface-extended x-ray-absorption fine-structure study

International Nuclear Information System (INIS)

Shih, A.; Hor, C.; Elam, W.; Kirkland, J.; Mueller, D.

1991-01-01

A surface-extended x-ray-absorption fine-structure study of ordered monolayers of coadsorbed barium and oxygen on a single-crystal W(100) surface is described. A (√2 x √2 )R45 degree structure with a stoichiometric barium-to-oxygen ratio, and a (2 √2 x √2 )R45 degree structure with a nearly 1:2 barium-to-oxygen atomic ratio both form on W(100). The surface-extended x-ray-absorption fine-structure results indicate that all the barium and oxygen atoms are nearly coplanar in the (√2 x √2 )R45 degree overlayer. The Ba-to-O distance in this overlayer is 3.20 ±0.05 A and β=82 degree ±5 degree, where β is the angle between the Ba-O internuclear axis and the surface normal. For the (2 √2 x √2 )R45 degree overlayer, there are two types of oxygen sites. Oxygen atoms nearly coplanar with the barium atoms are also present in these films with a Ba-to-O distance of 3.27±0.05 A and β=75±4 degree. Additional oxygen atoms lie outside the barium plane at a distance 2.03±0.05 A and β=23±10 degree from the nearest barium atoms

Extended x-ray absorption fine structure: Studies of zinc-neutralized sulfonated polystyrene ionomers

International Nuclear Information System (INIS)

Ding, Y.S.; Yarusso, D.J.; Pan, H.K.D.; Cooper, S.L.

1984-01-01

Extended x-ray absorption fine structure (EXAFS) measurements were performed on a series of zinc-neutralized sulfonated polystyrene ionomers and the local structure around the zinc atom was determined. An interference effect in the EXAFS signal between sulfur and oxygen atoms was found to be significant in these materials. A model for the local structure in the zinc-neutralized sulfonated polystyrene ionomers is proposed which suggests a highly ordered tetrahedral coordination of oxygen around the zinc atoms at a distance of 1.97 +- 0.02 A. In addition there are four sulfur atoms and four oxygen atoms at a distance of 3.15 +- 0.05 A. No zinc-zinc coordination within 5 A was detected in this study

High pressure study of nanostructured Cu2Sb by X-ray Diffraction, Extended X-ray Absorption fine structure and Raman measurements

International Nuclear Information System (INIS)

Souza, Sergio Michielon de; Triches, Daniela Menegon; Lima, Joao Cardoso de; Polian, Alain

2016-01-01

Full text: Nanostructured tetragonal Cu 2 Sb was prepared by mechanical alloying and its stability was studied as a function of pressure using synchrotron X-ray diffraction (XRD) Extended X-Ray Absorption Fine Structure (EXAFS) and Raman spectroscopy. The high pressure XRD data were collected at 0.6, 1.1, 2.2, 3.4, 5.0, 7.1, 8.0, 9.9, 14.8, 18.7, 23.2, 29.3 and 40.6 GPa in the ELETTRA synchrotron (Italy) with λ = 0.68881 Å. The high pressure EXAFS measurements were carried out in the Soleil synchrotron (France) in 0.6, 1.8, 3.0, 4.5, 6.1, 8.0, 10.3, 12.7, 15.5, 18.0, 19.0, 20.0, 22.1, 23.9, 26.3 and 29.4 GPa and the high pressure Raman spectroscopy in the Institut de Mineralogie et de Physique des Milieux Condenses (France) collected at 0.1, 1.6, 3.7, 6.7, 11.2, 15.1, 19.4, 24.5, 30.8, 36.3, 41.3 and 44.5 GPa. The results show high structural and optical phase stability. The moduli bulk and its derivatives were obtained by using the Birch-Murnaghan equation of states to the XRD and EXAFS results. The evolution of the Raman modes and the bulk moduli were used to obtain the Grueneisen parameters. (author)

Structural changes of green roof growing substrate layer studied by X-ray CT

Science.gov (United States)

Jelinkova, Vladimira; Sacha, Jan; Dohnal, Michal; Snehota, Michal

2017-04-01

Increasing interest in green infrastructure linked with newly implemented legislation/rules/laws worldwide opens up research potential for field of soil hydrology. A better understanding of function of engineered soils involved in green infrastructure solutions such as green roofs or rain garden is needed. A soil layer is considered as a highly significant component of the aforesaid systems. In comparison with a natural soil, the engineered soil is assumed to be the more challenging case due to rapid structure changes early stages after its build-up. The green infrastructure efficiency depends on the physical and chemical properties of the soil, which are, in the case of engineered soils, a function of its initial composition and subsequent soil formation processes. The project presented in this paper is focused on fundamental processes in the relatively thick layer of engineered soil. The initial structure development, during which the pore geometry is altered by the growth of plant roots, water influx, solid particles translocation and other soil formation processes, is investigated with the help of noninvasive imaging technique  X-ray computed tomography. The soil development has been studied on undisturbed soil samples taken periodically from green roof test system during early stages of its life cycle. Two approaches and sample sizes were employed. In the first approach, undisturbed samples (volume of about 63 cm3) were taken each time from the test site and scanned by X-ray CT. In the second approach, samples (volume of about 630 cm3) were permanently installed at the test site and has been repeatedly removed to perform X-ray CT imaging. CT-derived macroporosity profiles reveal significant temporal changes of soil structure. Clogging of pores by fine particles and fissures development are two most significant changes that would affect the green roof system efficiency. This work has been supported by the Ministry of Education, Youth and Sports within

X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex

Science.gov (United States)

Zhou, X. Edward; Gao, Xiang; Barty, Anton; Kang, Yanyong; He, Yuanzheng; Liu, Wei; Ishchenko, Andrii; White, Thomas A.; Yefanov, Oleksandr; Han, Gye Won; Xu, Qingping; de Waal, Parker W.; Suino-Powell, Kelly M.; Boutet, Sébastien; Williams, Garth J.; Wang, Meitian; Li, Dianfan; Caffrey, Martin; Chapman, Henry N.; Spence, John C. H.; Fromme, Petra; Weierstall, Uwe; Stevens, Raymond C.; Cherezov, Vadim; Melcher, Karsten; Xu, H. Eric

2016-04-01

Serial femtosecond X-ray crystallography (SFX) using an X-ray free electron laser (XFEL) is a recent advancement in structural biology for solving crystal structures of challenging membrane proteins, including G-protein coupled receptors (GPCRs), which often only produce microcrystals. An XFEL delivers highly intense X-ray pulses of femtosecond duration short enough to enable the collection of single diffraction images before significant radiation damage to crystals sets in. Here we report the deposition of the XFEL data and provide further details on crystallization, XFEL data collection and analysis, structure determination, and the validation of the structural model. The rhodopsin-arrestin crystal structure solved with SFX represents the first near-atomic resolution structure of a GPCR-arrestin complex, provides structural insights into understanding of arrestin-mediated GPCR signaling, and demonstrates the great potential of this SFX-XFEL technology for accelerating crystal structure determination of challenging proteins and protein complexes.

Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding X-ray Crystal Structures

Science.gov (United States)

2014-01-01

We have found that refinement of protein NMR structures using Rosetta with experimental NMR restraints yields more accurate protein NMR structures than those that have been deposited in the PDB using standard refinement protocols. Using 40 pairs of NMR and X-ray crystal structures determined by the Northeast Structural Genomics Consortium, for proteins ranging in size from 5–22 kDa, restrained Rosetta refined structures fit better to the raw experimental data, are in better agreement with their X-ray counterparts, and have better phasing power compared to conventionally determined NMR structures. For 37 proteins for which NMR ensembles were available and which had similar structures in solution and in the crystal, all of the restrained Rosetta refined NMR structures were sufficiently accurate to be used for solving the corresponding X-ray crystal structures by molecular replacement. The protocol for restrained refinement of protein NMR structures was also compared with restrained CS-Rosetta calculations. For proteins smaller than 10 kDa, restrained CS-Rosetta, starting from extended conformations, provides slightly more accurate structures, while for proteins in the size range of 10–25 kDa the less CPU intensive restrained Rosetta refinement protocols provided equally or more accurate structures. The restrained Rosetta protocols described here can improve the accuracy of protein NMR structures and should find broad and general for studies of protein structure and function. PMID:24392845

New structural studies of liquid crystal by reflectivity and resonant X-ray diffraction; Nouvelles etudes structurales de cristaux liquides par reflectivite et diffraction resonante des rayons X

Energy Technology Data Exchange (ETDEWEB)

Fernandes, P

2007-04-15

This memory presents three structural studies of smectic Liquid Crystals by reflectivity and resonant diffraction of X-rays. It is divided in five chapters. In the first a short introduction to Liquid Crystals is given. In particular, the smectic phases that are the object of this study are presented. The second chapter is consecrated to the X-ray experimental techniques that were used in this work. The three last chapters present the works on which this thesis can be divided. Chapter three demonstrates on free-standing films of MHPOBC (historic liquid crystal that possesses the antiferroelectric sub-phases) the possibility to extend the technique of resonant X-ray diffraction to liquid crystals without resonant element. In the fourth chapter the structure of the B{sub 2} liquid crystal phase of bent-core molecules (or banana molecules) is elucidated by using resonant X-ray diffraction combined with polarization analysis of the diffracted beam. A model of the polarization of the resonant beam diffracted by four different structures proposed for the B{sub 2} phase is developed in this chapter. In the fifth chapter a smectic binary mixture presenting a very original critical point of phase separation is studied by X-ray reflectivity and optical microscopy. A concentration gradient in the direction perpendicular to the plane of the film seems to be induced by the free-standing film geometry. The results of a simplified model of the system are compatible with this interpretation.

X-Ray Scattering Applications Using Pulsed X-Ray Sources

Energy Technology Data Exchange (ETDEWEB)

Larson, B.C.

1999-05-23

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

Resonance magnetic x-ray scattering study of erbium

DEFF Research Database (Denmark)

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

1994-01-01

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

Laser plasmas as x-ray sources for lithographic imaging of submicron structures

International Nuclear Information System (INIS)

Bijkerk, F.; van Dorssen, G.E.; van der Wiel, M.J.

1988-01-01

Laser radiation can be used efficiently to generate x-rays for lithographic imaging of submicron patterns, e.g., for VLSI device fabrication. Due to their short wavelength and high average power, excimer lasers show much potential for this application. Results are presented of scaling studies for high repetition rate excimer laser application, using the frequency doubled output of a low repetition rate Nd:YAG/Glass laser. Spectral and spatial characteristics of x-ray emission of the laser plasma are shown. The power density in the laser focus was 3 x 10 12 W/cm 2 . With this source Si x-ray masks with submicron Au absorber profiles are imaged into high sensitivity x-ray photoresist. For the exposures 80 laser shots sufficed to yield high quality submicron structures. Extrapolation of the results to a high power excimer laser reduces the exposure time of the photoresists to several seconds, enabling a wafer throughput at an industrial level

X-ray structural studies of epitaxial yttrium silicide on Si(111)

International Nuclear Information System (INIS)

Martinez-Miranda, L.J.; Santiago-Aviles, J.J.; Graham, W.R.; Heiney, P.A.; Siegal, M.P.

1994-01-01

We performed a series of glancing angle and reflection x-ray diffraction experiments to study both the in-plane and out-of-plane structure of epitaxial YSi 2-x films grown on Si(111), with thicknesses ranging from 85 A to 510 A. These measurements allowed us to characterize the mean film lattice constants, the position correlation lengths of the film, and the presence and extent of strain as a function of film thickness. We find that the strain along the basal plane increases as a function of increasing thickness to approximately 1% in the 510 A film; the corresponding out-of-plane strain is such that the film unit cell volume increases as a function of thickness. The corresponding in-plane microscopic strain varies from 0.5% for the 85 A film to 0.3% for the 510 A film. We relate our results to the mode of film growth and the presence of pinholes in the films

PREFACE: Structure and dynamics determined by neutron and x-ray scattering Structure and dynamics determined by neutron and x-ray scattering

Science.gov (United States)

Müller-Buschbaum, Peter

2011-06-01

Neutron and x-ray scattering have emerged as powerful methods for the determination of structure and dynamics. Driven by emerging new, powerful neutron and synchrotron radiation sources, the continuous development of new instrumentation and novel scattering techniques gives rise to exciting possibilities. For example, in situ observations become possible via a high neutron or x-ray flux at the sample and, as a consequence, morphological transitions with small time constants can be detected. This special issue covers a broad range of different materials from soft to hard condensed matter. Hence, different material classes such as colloids, polymers, alloys, oxides and metals are addressed. The issue is dedicated to the 60th birthday of Professor Winfried Petry, scientific director of the Research Neutron Source Heinz Maier-Leibnitz (FRM-II), Germany, advisor at the physics department for the Bayerische Elite-Akademie, chair person of the Arbeitsgemeinschaft Metall- und Materialphysik of the German Physical Society (DPG) and a member of the professional council of the German Science Foundation (Deutsche Forschungsgemeinschaft, DFG). We would like to acknowledge and thank all contributors for their submissions, which made this special issue possible in the first place. Moreover, we would like to thank the staff at IOP Publishing for helping us with the administrative aspects and for coordinating the refereeing process, and Valeria Lauter for the beautiful cover artwork. Finally, to the readers, we hope that you find this special issue a valuable resource that provides insights into the present possibilities of neutron and x-ray scattering as powerful tools for the investigation of structure and dynamics. Structure and dynamics determined by neutron and x-ray scattering contents In situ studies of mass transport in liquid alloys by means of neutron radiography F Kargl, M Engelhardt, F Yang, H Weis, P Schmakat, B Schillinger, A Griesche and A Meyer Magnetic spin

Synthesis, X-ray crystal structure, DNA binding and Nuclease activity ...

Indian Academy of Sciences (India)

s12039-016-1125-x. Synthesis, X-ray crystal structure, DNA binding and Nuclease activity of lanthanide(III) complexes of 2-benzoylpyridine acetylhydrazone. KARREDDULA RAJA, AKKILI SUSEELAMMA and KATREDDI HUSSAIN REDDY. ∗.

Acemetacin cocrystal structures by powder X-ray diffraction

Science.gov (United States)

Bolla, Geetha

2017-01-01

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

Acemetacin cocrystal structures by powder X-ray diffraction

Directory of Open Access Journals (Sweden)

Geetha Bolla

2017-05-01

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

Effects of X-Ray Dose On Rhizosphere Studies Using X-Ray Computed Tomography

Science.gov (United States)

Zappala, Susan; Helliwell, Jonathan R.; Tracy, Saoirse R.; Mairhofer, Stefan; Sturrock, Craig J.; Pridmore, Tony; Bennett, Malcolm; Mooney, Sacha J.

2013-01-01

X-ray Computed Tomography (CT) is a non-destructive imaging technique originally designed for diagnostic medicine, which was adopted for rhizosphere and soil science applications in the early 1980s. X-ray CT enables researchers to simultaneously visualise and quantify the heterogeneous soil matrix of mineral grains, organic matter, air-filled pores and water-filled pores. Additionally, X-ray CT allows visualisation of plant roots in situ without the need for traditional invasive methods such as root washing. However, one routinely unreported aspect of X-ray CT is the potential effect of X-ray dose on the soil-borne microorganisms and plants in rhizosphere investigations. Here we aimed to i) highlight the need for more consistent reporting of X-ray CT parameters for dose to sample, ii) to provide an overview of previously reported impacts of X-rays on soil microorganisms and plant roots and iii) present new data investigating the response of plant roots and microbial communities to X-ray exposure. Fewer than 5% of the 126 publications included in the literature review contained sufficient information to calculate dose and only 2.4% of the publications explicitly state an estimate of dose received by each sample. We conducted a study involving rice roots growing in soil, observing no significant difference between the numbers of root tips, root volume and total root length in scanned versus unscanned samples. In parallel, a soil microbe experiment scanning samples over a total of 24 weeks observed no significant difference between the scanned and unscanned microbial biomass values. We conclude from the literature review and our own experiments that X-ray CT does not impact plant growth or soil microbial populations when employing a low level of dose (<30 Gy). However, the call for higher throughput X-ray CT means that doses that biological samples receive are likely to increase and thus should be closely monitored. PMID:23840640

Attosecond time-energy structure of X-ray free-electron laser pulses

Science.gov (United States)

Hartmann, N.; Hartmann, G.; Heider, R.; Wagner, M. S.; Ilchen, M.; Buck, J.; Lindahl, A. O.; Benko, C.; Grünert, J.; Krzywinski, J.; Liu, J.; Lutman, A. A.; Marinelli, A.; Maxwell, T.; Miahnahri, A. A.; Moeller, S. P.; Planas, M.; Robinson, J.; Kazansky, A. K.; Kabachnik, N. M.; Viefhaus, J.; Feurer, T.; Kienberger, R.; Coffee, R. N.; Helml, W.

2018-04-01

The time-energy information of ultrashort X-ray free-electron laser pulses generated by the Linac Coherent Light Source is measured with attosecond resolution via angular streaking of neon 1s photoelectrons. The X-ray pulses promote electrons from the neon core level into an ionization continuum, where they are dressed with the electric field of a circularly polarized infrared laser. This induces characteristic modulations of the resulting photoelectron energy and angular distribution. From these modulations we recover the single-shot attosecond intensity structure and chirp of arbitrary X-ray pulses based on self-amplified spontaneous emission, which have eluded direct measurement so far. We characterize individual attosecond pulses, including their instantaneous frequency, and identify double pulses with well-defined delays and spectral properties, thus paving the way for X-ray pump/X-ray probe attosecond free-electron laser science.

Photo-Darkening Kinetics and Structural Anisotropic Modifications in the Chalcogenide Glass Arsenic Trisulfide: a Study of Kinetic X-Ray Absorption Spectroscopy

Science.gov (United States)

Lee, Jay Min

1990-08-01

The purpose of the study is to investigate the mechanisms involved with photo-induced atomic structural modifications in the chalcogenide glass As_2 S_3. This glass exhibits the reversible effects of photo-darkening followed by thermal bleaching. We observed the time behavior of photo-induced properties under the influence of linearly polarized band -gap light. In a macroscopic optical investigation, we monitor optical changes in the photo-darkening process, and in a local structural probe we study kinetic (or time -resolved dispersive) x-ray absorption spectroscopy. Our observations center on kinetic phenomena and structural modifications induced by polarized excitation of lone-pair orbitals in the chalcogenide glass. Experimental results include the following observations: (i) The polarity of the optically induced anisotropy is critically dependent on the intensity and the polarization of the band-gap irradiation beam. (ii) The near edge peak height in x-ray absorption spectra shows subtle but sensitive change during the photo-darkening process. (iii) Photon intensity dependent dichroic kinetics reflect a connection between the optically probed macroscopic property and the x-ray probed local anisotropic structure. Analysis of the x-ray absorption results includes a computer simulation of the polarized absorption spectra. These results suggest that specific structural units tend to orient themselves with respect to the photon polarization. A substantial part of the analysis involves a major effort in dealing with the x-ray kinetic data manipulation and the experimental difficulties caused by a synchrotron instability problem. Based on our observations, we propose a possible mechanism for the observed photo-structural modifications. Through a model of computer relaxed photo-darkening kinetics, we support the notion that a twisting of a specific intermediate range order structure is responsible for local directional variations and global network distortions. In the

X-FEL revolution - X-ray lasers to probe matter

International Nuclear Information System (INIS)

Collet, E.; Cammarata, M.; Harmand, M.; Couprie, M.E.

2015-01-01

X-ray free electron lasers (X-FEL) are now able to generate X-ray pulses of a few femto-seconds (1 fs = 10"-"1"5 s), which allows the real-time observation of the movements of atoms. The changes in the structure of a material can be seen whatever the material, this is illustrated with the PYP protein (that is the photo-receptor of a bacterium), the changes between an initial state and 100 ps after light excitation show the displacement of the atoms of the protein. The brightness of X-FEL can be so high that it allows the study of nano-metric structures but it enables X-FEL radiation to ionize matter and the crystal sample may be destroyed, this becomes the new limit of X-FEL applied to crystallography. Another application of X-FEL to structure studies is to allow the study of systems that are not crystal systems like macromolecules, proteins or even viruses. Hundreds of patterns of X-ray diffractions of an object are combined to form a 3-dimensional image of the object in the wave vector space and it is then possible but very complex to deduce the real 3-dimensional structure of the object. (A.C.)

Electronic structure of titania aerogels: Soft x-ray absorption study

International Nuclear Information System (INIS)

Kucheyev, S.O.; Van Buuren, T.V.; Baumann, T.F.; Satcher, J.H.; Willey, T.M.; Muelenberg, R.W.; Felter, T.E.; Poco, J.E.; Gammon, S.A.; Terminello, L.J.

2004-01-01

Full text: Titania aerogels - a somewhat extreme form of nanoporous TiO 2 - are open-cell solid foams derived from highly crosslinked gels by drying them under supercritical conditions. In this presentation, the unoccupied electronic states of TiO 2 aerogels are studied by soft x-ray absorption near-edge structure (XANES) spectroscopy. High-resolution O K-edge and Ti L 2,3 -edge XANES spectra of aerogels are compared with those of rutile, anatase, and unrelaxed amorphous phases of full- density TiO 2 . Results show that all the main spectroscopic features of aerogels, reflecting the element-specific partial density of empty electronic states and correlation effects, can be attributed to the absence of long-range order in stoichiometric amorphous TiO 2 . Based on these results, we discuss the effects of short- and long-range order on the electronic structure of TiO 2 . This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48

Modern X-ray difraction. X-ray diffractometry for material scientists, physicists, and chemicists

International Nuclear Information System (INIS)

Spiess, L.; Schwarzer, R.; Behnken, H.; Teichert, G.

2005-01-01

The book yields a comprehensive survey over the applications of X-ray diffraction in fields like material techniques, metallurgy, electrotechniques, machine engineering, as well as micro- and nanotechniques. The necessary fundamental knowledge on X-ray diffraction are mediated foundedly and illustratively. Thereby new techniques and evaluation procedures are presented as well as well known methods. The content: Production and properties of X radiation, diffraction of X radiation, hardware for X-ray diffraction, methods of X-ray diffraction, lattice-constant determination, phase analysis, X-ray profile analysis, crystal structure analysis, X-ray radiographic stress analysis, X-ray radiographic texture analysis, crystal orientation determination, pecularities at thin films, small angle scattering

High energy x-ray scattering studies of strongly correlated oxides

International Nuclear Information System (INIS)

Hatton, Peter D; Wilkins, S B; Spencer, P D; Zimmermann, M v; D'Almeida, T

2003-01-01

Many transition metal oxides display strongly correlated charge, spin, or orbital ordering resulting in varied phenomena such as colossal magnetoresistance, high temperature superconductivity, metal-insulator transitions etc. X-ray scattering is one of the principle techniques for probing the structural response to such effects. In this paper, we discuss and review the use of synchrotron radiation high energy x-rays (50-200 keV) for the study of transition metal oxides such as nickelates (La 2-x Sr x NiO 4 ) and manganites (La 2-2x Sr 1+2x Mn 2 O 7 ). High energy x-rays have sufficient penetration to allow us to study large flux-grown single crystals. The huge increase in sample scattering volume means that extremely weak peaks can be observed. This allows us to study very weak charge ordering. Measurements of the intensity, width and position of the charge ordering satellites as a function of temperature provide us with quantitative measures of the charge amplitude, inverse correlation length and wavevector of the charge ordering

X-ray Fourier-transform holographic microscope

International Nuclear Information System (INIS)

Haddad, W.S.; Cullen, D.; Solem, J.C.; Boyer, K.; Rhodes, C.K.

1988-01-01

The properties of an x-ray Fourier-transform holographic instrument suitable for imaging hydrated biological samples are described. Recent advances in coherent x-ray source technology are making diffraction-limited holograms of microscopic structures, with corresponding high spatial resolution, a reality. A high priority application of snapshot x-ray holography is the study of microscopic biological structures in the hydrated living state. X-rays offer both high resolution and high contrast for important structures within living organisms, thereby rendering unnecessary the staining of specimens, essential for optical and electron microscopy. If the wavelength is properly chosen. Furthermore, the snapshot feature, arising from picosecond or subpicosecond exposure times, eliminates blurring occurring from either thermal heating or normal biological activity of the sample. Finally, with sufficiently high photon fluxes, such as those available from x-ray lasers, the x-ray snapshot can be accomplished with a single pulse, thereby yielding complete three-dimensional information on a sample having normal biological integrity at the moment of exposure. 10 refs., 6 figs

Study on TV X-ray system characteristics

International Nuclear Information System (INIS)

Semenov, A.P.; Volkov, A.V.

1978-01-01

The results are presented of comparative investigations into the main characteristics of TV X-ray systems (TXS) and X-ray radiography when X-raying of the 1Kh18N9T steel. The following characteristics are considered: the threshold contrast sensitivity, the sensitivity to revealing standard defects, and the dose rate of X-radiation at the input of the X-ray converter. Practical recommendations are given on the use of TXS in flaw detection of various materials. It is remarked to use introscopes for testing of thick welded products articles, and X-ray vidicon systems for study of low-contrast images (in testing of welds made by point welding, and of thin-wall products)

Modern X-ray spectroscopy 3. X-ray fluorescence holography

International Nuclear Information System (INIS)

Hayashi, Kouichi

2008-01-01

X-ray fluorescence holography (XFH) provides three dimensional atomic images around specified elements. The XFH uses atoms as a wave source or monitor of interference field within a crystal sample, and therefore it can record both intensity and phase of scattered X-rays. Its current performance makes it possible to apply to ultra thin film, impurity and quasicrystal. In this article, I show the theory including solutions for twin image problem, advanced measuring system, data processing for reconstruction of the atomic images and for obtaining accurate atomic positions, applications using resonant X-ray scattering and X-ray excited optical luminescence, and an example of XFH result on the local structure around copper in silicon steal. (author)

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...

A filter based analyzer for studies of X-ray Raman scattering

CERN Document Server

Seidler, G T

2001-01-01

Non-resonant X-ray Raman scattering (XRS) with hard X-rays holds the potential for measuring local structure and local electronic properties around low-Z atoms in environments where traditional soft X-ray techniques are inapplicable. However, the small cross-section for XRS requires that experiments must simultaneously achieve high detection efficiency, large collection solid angles, and good energy resolution. We report here that a simple X-ray analyzer consisting of an absorber and a point-focusing spatial filter can be used to study some X-ray Raman near-edge features. This apparatus has greater than 10% detection efficiency, has an energy resolution of 8 eV, and can be readily extended to collection angles of more than 1 sr. We present preliminary measurements of the XRS from the nitrogen 1 s shell in pyrolitic boron nitride.

X-ray crystallographic studies on novel natural products from marine animals

International Nuclear Information System (INIS)

Choudhary, M.I.; Clardy, J.C.

1991-01-01

This chapter starts with an analysis to illustrate the utility of X-ray diffraction. The X-ray diffraction experiment is particularly suitable for structure elucidation of naturally occurring compounds, especially those that are structurally novel or have a great deal of stereochemistry. Marine plants and animals constitute a prodigious source of new and structurally complex secondary metabolites. Their unique structural features also provide strong incentives for further structural, synthetic and biosynthetic investigations. Organic compounds isolated from various marine animals in relatively small quantities, where structural work by conventional spectroscopic techniques did not lead to ambiguous structures, are investigated and the structures were finally determined through single-crystal X-ray diffraction measurements. (A.S.) 20 refs.; 5 figs

Valence electronic structure of Ni in Ni Si alloys from relative K X-ray intensity studies

Science.gov (United States)

Kalayci, Y.; Aydinuraz, A.; Tugluoglu, B.; Mutlu, R. H.

2007-02-01

The Kβ-to-Kα X-ray intensity ratio of Ni in Ni 3Si, Ni 2Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni 2Si and then increases from Ni 2Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

High-speed image converter x-ray studies

International Nuclear Information System (INIS)

Bryukhnevitch, G.I.; Kas'yanov, Yu.S.; Korobkin, V.V.; Prokhorov, A.M.; Stepanov, B.M.; Chevokin, V.K.; Schelev, M.Ya.

1975-01-01

Two X-ray high-speed image-converter cameras (ICC) have been developed. In the first one a soft X-ray radiation is converted into visible light with the aid of a 0.5ns response time, plastic scintillator. The second camera incorporates a photocathode which is sensitive to visible and X-ray radiation. Its calculated temporal resolution approaches 5 to 7ps. Both developed cameras were employed for studies of X-ray radiation emitted by laser plasma. For the smooth nanosecond excited laser pulses, a noticeable amplitude modulation was recorded in all laser pulses reflected by plasma as well as in each third pulse of X-ray plasma radiation. It was also observed that the duration of X-ray plasma radiation is 20 to 40% shorter than that of the incident nanosecond laser pulses and this duration being 3 to 6 times longer than that of the picosecond irradiating pulses. The half-width of the recorded X-ray plasma pulses was 30 to 60ps. (author)

Fluorescence x-ray absorption fine structure studies of Fe-Ni-S and Fe-Ni-Si melts to 1600 K

Science.gov (United States)

Manghnani, M. H.; Hong, X.; Balogh, J.; Amulele, G.; Sekar, M.; Newville, M.

2008-04-01

We report NiK -edge fluorescence x-ray absorption fine structure spectra (XAFS) for Fe0.75Ni0.05S0.20 and Fe0.75Ni0.05Si0.20 ternary alloys from room temperature up to 1600 K. A high-temperature furnace designed for these studies incorporates two x-ray transparent windows and enables both a vertical orientation of the molten sample and a wide opening angle, so that XAFS can be measured in the fluorescence mode with a detector at 90° with respect to the incident x-ray beam. An analysis of the Ni XAFS data for these two alloys indicates different local structural environments for Ni in Fe0.75Ni0.05S0.20 and Fe0.75Ni0.05Si0.20 melts, with more Ni-Si coordination than Ni-S coordination persisting from room temperature through melting. These results suggest that light elements such as S and Si may impact the structural and chemical properties of Fe-Ni alloys with a composition similar to the earth’s core.

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

International Nuclear Information System (INIS)

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

2006-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2006-11-15

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

X-ray propagation through a quasi-ordered multilayered structure ...

African Journals Online (AJOL)

We investigate the propagation of short wavelength transverse electric x-rays through a quasiordered (Fibonacci) atomically commensurate multilayered structure using a transfer matrix model which treats each atomic plane as a diffraction unit. The reflectance spectrum has a rich structure being dominated by peaks ...

Discovery of Spatial and Spectral Structure in the X-Ray Emission from the Crab Nebula

Science.gov (United States)

Weisskopf, Martin C.; Hester, J. Jeff; Tennant, Allyn F.; Elsner, Ronald F.; Schulz, Norbert S.; Marshall, Herman L.; Karovska, Margarita; Nichols, Joy S.; Swartz, Douglas A.; Kolodziejczak, Jeffery J.

2000-01-01

The Chandra X-Ray Observatory observed the Crab Nebula and pulsar during orbital calibration. Zeroth-order images with the High-Energy Transmission Grating (HETG) readout by the Advanced Charge Coupled Devices (CCD) Imaging Spectrometer spectroscopy array (ACIS-S) show a striking richness of X-ray structure at a resolution comparable to that of the best ground-based visible-light observations. The HETG-ACIS-S images reveal, for the first time, an X-ray inner ring within the X-ray torus, the suggestion of a hollow-tube structure for the torus, and X-ray knots along the inner ring and (perhaps) along the inward extension of the X-ray jet. Although complicated by instrumental effects and the brightness of the Crab Nebula, the spectrometric analysis shows systematic variations of the X-ray spectrum throughout the nebula.

Discovery of Spatial and Spectral Structure in the X-Ray Emission from the Crab Nebula.

Science.gov (United States)

Weisskopf; Hester; Tennant; Elsner; Schulz; Marshall; Karovska; Nichols; Swartz; Kolodziejczak; O'Dell

2000-06-20

The Chandra X-Ray Observatory observed the Crab Nebula and pulsar during orbital calibration. Zeroth-order images with the High-Energy Transmission Grating (HETG) readout by the Advanced CCD Imaging Spectrometer spectroscopy array (ACIS-S) show a striking richness of X-ray structure at a resolution comparable to that of the best ground-based visible-light observations. The HETG-ACIS-S images reveal, for the first time, an X-ray inner ring within the X-ray torus, the suggestion of a hollow-tube structure for the torus, and X-ray knots along the inner ring and (perhaps) along the inward extension of the X-ray jet. Although complicated by instrumental effects and the brightness of the Crab Nebula, the spectrometric analysis shows systematic variations of the X-ray spectrum throughout the nebula.

Ultrafast Structural Dynamics in InSb Probed by Time-Resolved X-Ray Diffraction

International Nuclear Information System (INIS)

Chin, A.H.; Shank, C.V.; Chin, A.H.; Schoenlein, R.W.; Shank, C.V.; Glover, T.E.; Leemans, W.P.; Balling, P.

1999-01-01

Ultrafast structural dynamics in laser-perturbed InSb are studied using time-resolved x-ray diffraction with a novel femtosecond x-ray source. We report the first observation of a delay in the onset of lattice expansion, which we attribute to energy relaxation processes and lattice strain propagation. In addition, we observe direct indications of ultrafast disordering on a subpicosecond time scale. copyright 1999 The American Physical Society

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Diffuse x-ray scattering study of interfacial structure of self-assembled conjugated polymers

International Nuclear Information System (INIS)

Wang Jun; Park, Y.J.; Lee, K.-B.; Hong, H.; Davidov, D.

2002-01-01

The interfacial structures of self-assembled heterostructures through alternate deposition of conjugated and nonconjugated polymers were studied by x-ray reflectivity and nonspecular scattering. We found that the interfacial width including the effects of both interdiffusion and interfacial roughness (correlated) was mainly contributed by the latter one. The self-assembled deposition induced very small interdiffusion between layers. The lateral correlation length ξ parallel grew as a function of deposition time (or film thickness) described by a power law ξ parallel ∝t β/H and was also observed from the off-specular scattering

Development of x-ray laminography under an x-ray microscopic condition

International Nuclear Information System (INIS)

Hoshino, Masato; Uesugi, Kentaro; Takeuchi, Akihisa; Suzuki, Yoshio; Yagi, Naoto

2011-01-01

An x-ray laminography system under an x-ray microscopic condition was developed to obtain a three-dimensional structure of laterally-extended planar objects which were difficult to observe by x-ray tomography. An x-ray laminography technique was introduced to an x-ray transmission microscope with zone plate optics. Three prototype sample holders were evaluated for x-ray imaging laminography. Layered copper grid sheets were imaged as a laminated sample. Diatomite powder on a silicon nitride membrane was measured to confirm the applicability of this method to non-planar micro-specimens placed on the membrane. The three-dimensional information of diatom shells on the membrane was obtained at a spatial resolution of sub-micron. Images of biological cells on the membrane were also obtained by using a Zernike phase contrast technique.

X-ray absorption near-edge spectroscopic study of nickel catalysts

International Nuclear Information System (INIS)

Soldatov, Alexander V.; Smolentsev, Grigory; Kravtsova, Antonina; Yalovega, Galina; Feiters, Martin C.; Metselaar, Gerald A.; Joly, Yves

2006-01-01

Ni-isocyanide and Ni-acac complexes have been studied by X-ray absorption spectroscopy. Theoretical analysis has been done using self-consistent full multiple scattering (MS) approach within both muffin-tin (MT) model of the potential and non-MT finite deference method. For the isocyanide complex, it was shown that MS theoretical spectra reproduce all structural details of the X-ray absorption near-edge structure (XANES), but also that it is important to consider the non-MT effects in the potential for a correct simulation of the shape of the pre-edge structures. The contribution of a non-constant potential in the interstitial regions is extremely important for the interpretation of the XANES of Ni(acac) 2

Optical and X-ray studies of Compact X-ray Binaries in NGC 5904

Science.gov (United States)

Bhalotia, Vanshree; Beck-Winchatz, Bernhard

2018-06-01

Due to their high stellar densities, globular cluster systems trigger various dynamical interactions, such as the formation of compact X-ray binaries. Stellar collisional frequencies have been correlated to the number of X-ray sources detected in various clusters and we hope to measure this correlation for NGC 5904. Optical fluxes of sources from archival HST images of NGC 5904 have been measured using a DOLPHOT PSF photometry in the UV, optical and near-infrared. We developed a data analysis pipeline to process the fluxes of tens of thousands of objects using awk, python and DOLPHOT. We plot color magnitude diagrams in different photometric bands in order to identify outliers that could be X-ray binaries, since they do not evolve the same way as singular stars. Aligning previously measured astrometric data for X-ray sources in NGC 5904 from Chandra with archival astrometric data from HST will filter out the outlier objects that are not X-ray producing, and provide a sample of compact binary systems that are responsible for X-ray emission in NGC 5904. Furthermore, previously measured X-ray fluxes of NGC 5904 from Chandra have also been used to measure the X-ray to optical flux ratio and identify the types of compact X-ray binaries responsible for the X-ray emissions in NGC 5904. We gratefully acknowledge the support from the Illinois Space Grant Consortium.

Study of X-rays and nuclear gamma -rays in muonic thallium

CERN Document Server

Backe, H; Jahnke, U; Kankeleit, E; Pearce, R M; Petitjean, C; Schellenberg, L; Schneuwly, H; Schröder, W U; Walter, H K; Zehnder, A

1972-01-01

Energies and intensities of muonic X-rays, nuclear gamma -rays and mu -capture gamma -rays were measured in natural muonic thallium with Ge (Li) detectors. The absolute intensities of higher mu X-rays were reproduced by a cascade calculation starting with a statistical population at n=20 including K-, L- and M-conversion. The electron screening effect was deduced from energies of higher mu X-rays. Eight prompt nuclear gamma -rays were found. This excitation explains the anomalous intensity ratios of the 2p-1s and 3d-2p fine structure components. From the nuclear gamma -rays of the first excited states were deduced: the magnetic h.f. splittings, muonic isomer shifts E2/M1 mixing ratios and the half-life in the presence of the muon in /sup 205/Tl. Evidence for a magnetic nuclear polarization was found. An isotope shift of Delta E=10.35+or-0.25 keV was measured for the 1s/sub 1/2/ state which is compared with data from optical spectroscopy. From an analysis of the time distribution of delayed gamma -rays from mu...

Laboratory micro- and nanoscale X-ray tomographic investigation of Al–7 at.%Cu solidification structures

International Nuclear Information System (INIS)

Patterson, B.M.; Henderson, K.C.; Gibbs, P.J.; Imhoff, S.D.; Clarke, A.J.

2014-01-01

X-ray computed tomography across multiple length scales provides an opportunity to non-destructively visualize and quantify the micro- to nano-scale microstructural features of solidification structures in three dimensions. Aluminum–7 at.%copper samples were directionally solidified at three cooling rates (0.44, 0.67, and 1.33 °C/s), resulting in systematic changes in the as-solidified microstructure, which are difficult to quantify using traditional microscopic techniques. The cooling rate of a material affects its ultimate microstructure, and characterizing that microstructure is key to predicting and understanding its bulk properties. Here, two different laboratory X-ray computed tomography instruments were used to characterize as-solidified microstructures, including micro-scale computed tomography with approximately 1 mm field-of-view, ∼ 1.7 μm resolution, and nano-scale X-ray computed tomography ∼ 65 μm FOV, 150 nm resolution. Micro-scale X-ray radiography and computed tomography enabled a quantitative investigation of changes in the primary dendritic solidification structure with increasing cooling rate. Nano-scale absorption contrast X-ray computed tomography resolved the distinct phases of the lamellar eutectic structure and three dimensional measurements of the ∼ 1 μm interlamellar spacing. It is found that the lamella eutectic structure thickness is inversely proportional to the cooling rate. Nano-scale Zernike phase contrast was also used to image voids at eutectic colony boundaries. The application and resolution of these two instruments are discussed with respect to the resolvable features of the solidification structures. - Highlights: • Al–Cu eutectic is a model system for studying solidification microstructure. • X-ray computed tomography provides a 3D picture of these complex structures. • Micro-scale tomography images the primary and secondary dendritic structures. • Nano-scale tomography images the eutectic lamella and

Laboratory micro- and nanoscale X-ray tomographic investigation of Al–7 at.%Cu solidification structures

Energy Technology Data Exchange (ETDEWEB)

Patterson, B.M., E-mail: bpatterson@lanl.gov; Henderson, K.C.; Gibbs, P.J.; Imhoff, S.D.; Clarke, A.J.

2014-09-15

X-ray computed tomography across multiple length scales provides an opportunity to non-destructively visualize and quantify the micro- to nano-scale microstructural features of solidification structures in three dimensions. Aluminum–7 at.%copper samples were directionally solidified at three cooling rates (0.44, 0.67, and 1.33 °C/s), resulting in systematic changes in the as-solidified microstructure, which are difficult to quantify using traditional microscopic techniques. The cooling rate of a material affects its ultimate microstructure, and characterizing that microstructure is key to predicting and understanding its bulk properties. Here, two different laboratory X-ray computed tomography instruments were used to characterize as-solidified microstructures, including micro-scale computed tomography with approximately 1 mm field-of-view, ∼ 1.7 μm resolution, and nano-scale X-ray computed tomography ∼ 65 μm FOV, 150 nm resolution. Micro-scale X-ray radiography and computed tomography enabled a quantitative investigation of changes in the primary dendritic solidification structure with increasing cooling rate. Nano-scale absorption contrast X-ray computed tomography resolved the distinct phases of the lamellar eutectic structure and three dimensional measurements of the ∼ 1 μm interlamellar spacing. It is found that the lamella eutectic structure thickness is inversely proportional to the cooling rate. Nano-scale Zernike phase contrast was also used to image voids at eutectic colony boundaries. The application and resolution of these two instruments are discussed with respect to the resolvable features of the solidification structures. - Highlights: • Al–Cu eutectic is a model system for studying solidification microstructure. • X-ray computed tomography provides a 3D picture of these complex structures. • Micro-scale tomography images the primary and secondary dendritic structures. • Nano-scale tomography images the eutectic lamella and

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…

Colliding Stellar Winds Structure and X-ray Emission

Science.gov (United States)

Pittard, J. M.; Dawson, B.

2018-04-01

We investigate the structure and X-ray emission from the colliding stellar winds in massive star binaries. We find that the opening angle of the contact discontinuity (CD) is overestimated by several formulae in the literature at very small values of the wind momentum ratio, η. We find also that the shocks in the primary (dominant) and secondary winds flare by ≈20° compared to the CD, and that the entire secondary wind is shocked when η ≲ 0.02. Analytical expressions for the opening angles of the shocks, and the fraction of each wind that is shocked, are provided. We find that the X-ray luminosity Lx∝η, and that the spectrum softens slightly as η decreases.

Simulation of x-rays in refractive structure by the Monte Carlo method using the supercomputer SKIF

International Nuclear Information System (INIS)

Yaskevich, Yu.R.; Kravchenko, O.I.; Soroka, I.I.; Chembrovskij, A.G.; Kolesnik, A.S.; Serikova, N.V.; Petrov, P.V.; Kol'chevskij, N.N.

2013-01-01

Software 'Xray-SKIF' for the simulation of the X-rays in refractive structures by the Monte-Carlo method using the supercomputer SKIF BSU are developed. The program generates a large number of rays propagated from a source to the refractive structure. The ray trajectory under assumption of geometrical optics is calculated. Absorption is calculated for each ray inside of refractive structure. Dynamic arrays are used for results of calculation rays parameters, its restore the X-ray field distributions very fast at different position of detector. It was found that increasing the number of processors leads to proportional decreasing of calculation time: simulation of 10 8 X-rays using supercomputer with the number of processors from 1 to 30 run-times equal 3 hours and 6 minutes, respectively. 10 9 X-rays are calculated by software 'Xray-SKIF' which allows to reconstruct the X-ray field after refractive structure with a special resolution of 1 micron. (authors)

Soft-x-ray fluorescence study of buried silicides in antiferromagnetically coupled Fe/Si multilayers

Energy Technology Data Exchange (ETDEWEB)

Carlisle, J.A.; Chaiken, A.; Michel, R.P. [Lawrence Berkeley National Lab., CA (United States)] [and others

1997-04-01

Multilayer films made by alternate deposition of two materials play an important role in electronic and optical devices such as quantum-well lasers and x-ray mirrors. In addition, novel phenomena like giant magnetoresistance and dimensional crossover in superconductors have emerged from studies of multilayers. While sophisticated x-ray techniques are widely used to study the morphology of multilayer films, progress in studying the electronic structure has been slower. The short mean-free path of low-energy electrons severely limits the usefulness of photoemission and related electron free path of low-energy electrons severely limit spectroscopies for multilayer studies. Soft x-ray fluorescence (SXF) is a bulk-sensitive photon-in, photon-out method to study valence band electronic states. Near-edge x-ray absorption fine-structure spectroscopy (NEXAFS) measured with partial photon yield can give complementary bulk-sensitive information about unoccupied states. Both these methods are element-specific since the incident x-ray photons excite electrons from core levels. By combining NEXAFS and SXF measurements on buried layers in multilayers and comparing these spectra to data on appropriate reference compounds, it is possible to obtain a detailed picture of the electronic structure. Results are presented for a study of a Fe/Si multilayer system.

Soft-x-ray fluorescence study of buried silicides in antiferromagnetically coupled Fe/Si multilayers

International Nuclear Information System (INIS)

Carlisle, J.A.; Chaiken, A.; Michel, R.P.

1997-01-01

Multilayer films made by alternate deposition of two materials play an important role in electronic and optical devices such as quantum-well lasers and x-ray mirrors. In addition, novel phenomena like giant magnetoresistance and dimensional crossover in superconductors have emerged from studies of multilayers. While sophisticated x-ray techniques are widely used to study the morphology of multilayer films, progress in studying the electronic structure has been slower. The short mean-free path of low-energy electrons severely limits the usefulness of photoemission and related electron free path of low-energy electrons severely limit spectroscopies for multilayer studies. Soft x-ray fluorescence (SXF) is a bulk-sensitive photon-in, photon-out method to study valence band electronic states. Near-edge x-ray absorption fine-structure spectroscopy (NEXAFS) measured with partial photon yield can give complementary bulk-sensitive information about unoccupied states. Both these methods are element-specific since the incident x-ray photons excite electrons from core levels. By combining NEXAFS and SXF measurements on buried layers in multilayers and comparing these spectra to data on appropriate reference compounds, it is possible to obtain a detailed picture of the electronic structure. Results are presented for a study of a Fe/Si multilayer system

Ultrashort X-ray pulse science

Energy Technology Data Exchange (ETDEWEB)

Chin, Alan Hap [Univ. of California, Berkeley, CA (US). Dept. of Physics; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

1998-05-01

A variety of phenomena involves atomic motion on the femtosecond time-scale. These phenomena have been studied using ultrashort optical pulses, which indirectly probe atomic positions through changes in optical properties. Because x-rays can more directly probe atomic positions, ultrashort x-ray pulses are better suited for the study of ultrafast structural dynamics. One approach towards generating ultrashort x-ray pulses is by 90° Thomson scattering between terawatt laser pulses and relativistic electrons. Using this technique, the author generated ~ 300 fs, 30 keV (0.4 Å) x-ray pulses. These x-ray pulses are absolutely synchronized with ultrashort laser pulses, allowing femtosecond optical pump/x-ray probe experiments to be performed. Using the right-angle Thomson scattering x-ray source, the author performed time-resolved x-ray diffraction studies of laser-perturbated InSb. These experiments revealed a delayed onset of lattice expansion. This delay is due to the energy relaxation from a dense electron-hole plasma to the lattice. The dense electron-hole plasma first undergoes Auger recombination, which reduces the carrier concentration while maintaining energy content. Longitudinal-optic (LO) phonon emission then couples energy to the lattice. LO phonon decay into acoustic phonons, and acoustic phonon propagation then causes the growth of a thermally expanded layer. Source characterization is instrumental in utilizing ultrashort x-ray pulses in time-resolved x-ray spectroscopies. By measurement of the electron beam diameter at the generation point, the pulse duration of the Thomson scattered x-rays is determined. Analysis of the Thomson scattered x-ray beam properties also provides a novel means of electron bunch characterization. Although the pulse duration is inferred for the Thomson scattering x-ray source, direct measurement is required for other x-ray pulse sources. A method based on the laser-assisted photoelectric effect (LAPE) has been demonstrated as a

Ultrashort X-ray pulse science

International Nuclear Information System (INIS)

Chin, A.H.; Lawrence Berkeley National Lab., CA

1998-01-01

A variety of phenomena involves atomic motion on the femtosecond time-scale. These phenomena have been studied using ultrashort optical pulses, which indirectly probe atomic positions through changes in optical properties. Because x-rays can more directly probe atomic positions, ultrashort x-ray pulses are better suited for the study of ultrafast structural dynamics. One approach towards generating ultrashort x-ray pulses is by 90 o Thomson scattering between terawatt laser pulses and relativistic electrons. Using this technique, the author generated ∼ 300 fs, 30 keV (0.4 (angstrom)) x-ray pulses. These x-ray pulses are absolutely synchronized with ultrashort laser pulses, allowing femtosecond optical pump/x-ray probe experiments to be performed. Using the right-angle Thomson scattering x-ray source, the author performed time-resolved x-ray diffraction studies of laser-perturbated InSb. These experiments revealed a delayed onset of lattice expansion. This delay is due to the energy relaxation from a dense electron-hole plasma to the lattice. The dense electron-hole plasma first undergoes Auger recombination, which reduces the carrier concentration while maintaining energy content. Longitudinal-optic (LO) phonon emission then couples energy to the lattice. LO phonon decay into acoustic phonons, and acoustic phonon propagation then causes the growth of a thermally expanded layer. Source characterization is instrumental in utilizing ultrashort x-ray pulses in time-resolved x-ray spectroscopies. By measurement of the electron beam diameter at the generation point, the pulse duration of the Thomson scattered x-rays is determined. Analysis of the Thomson scattered x-ray beam properties also provides a novel means of electron bunch characterization. Although the pulse duration is inferred for the Thomson scattering x-ray source, direct measurement is required for other x-ray pulse sources. A method based on the laser-assisted photoelectric effect (LAPE) has been

X-ray and synchrotron studies of porous silicon

Energy Technology Data Exchange (ETDEWEB)

Sivkov, V. N., E-mail: svn@dm.komisc.ru [Russian Academy of Sciences, Komi Scientific Center, Ural Branch (Russian Federation); Lomov, A. A. [Russian Academy of Sciences, Physical-Technological Institute (Russian Federation); Vasil' ev, A. L. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Nekipelov, S. V. [Komi State Pedagogical Institute (Russian Federation); Petrova, O. V. [Russian Academy of Sciences, Komi Scientific Center, Ural Branch (Russian Federation)

2013-08-15

The results of comprehensive studies of layers of porous silicon of different conductivity types, grown by anodizing standard Si(111) substrates in an electrolyte based on fluoric acid and ethanol with the addition of 5% of iodine and kept in air for a long time, are discussed. Measurements are performed by scanning electron microscopy, high-resolution X-ray diffraction, and ultrasoft X-ray spectroscopy using synchrotron radiation. The structural parameters of the layers (thickness, strain, and porosity) and atomic and chemical composition of the porous-silicon surface are determined. It is found that an oxide layer 1.5-2.3-nm thick is formed on the surface of the silicon skeleton. The near-edge fine structure of the Si 2p absorption spectrum of this layer corresponds to the fine structure of the 2p spectrum of well coordinated SiO{sub 2}. In this case, the fine structure in the Si 2p-edge absorption region of the silicon skeleton is identical to that of the 2p absorption spectrum of crystalline silicon.

Local structure studies of Fe{sub 2}TeO{sub 6} using x-ray absorption spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Singh, Harishchandra, E-mail: singh85harish@gmail.com [Homi Bhabha National Institute, Raja Ramanna Centre for Advanced Technology, Indore-452013 (India); Indus Synchrotron Utilization Division, Raja Ramanna Centre for Advanced Technology, Indore-452013 (India); Yadav, A. K. [Atomic & Molecular Physics Division Bhabha Atomic Research Centre, Mumbai – 400 094 (India)

2016-05-23

In the present study, we have performed EXAFS measurements on powder samples of Fe{sub 2}TeO{sub 6} (FTO) to probe the local structure surrounding at the Fe site. The structural parameters (atomic coordination and lattice parameters) of FTO used for simulation of theoretical EXAFS spectra of the samples have been obtained from Rietveld refined structure on synchrotron X-ray Diffraction (SXRD) data. Quite similar and satisfactory structural parameters have been obtained from both the study, indicating goodness of synchrotron structural analysis over EXAFS analysis. SXRD and EXAFS results shows absence of any secondary phase proves current synthesis superior over reported techniques.

Stellar X-Ray Polarimetry

Science.gov (United States)

Swank, J.

2011-01-01

Most of the stellar end-state black holes, pulsars, and white dwarfs that are X-ray sources should have polarized X-ray fluxes. The degree will depend on the relative contributions of the unresolved structures. Fluxes from accretion disks and accretion disk corona may be polarized by scattering. Beams and jets may have contributions of polarized emission in strong magnetic fields. The Gravity and Extreme Magnetism Small Explorer (GEMS) will study the effects on polarization of strong gravity of black holes and strong magnetism of neutron stars. Some part of the flux from compact stars accreting from companion stars has been reflected from the companion, its wind, or accretion streams. Polarization of this component is a potential tool for studying the structure of the gas in these binary systems. Polarization due to scattering can also be present in X-ray emission from white dwarf binaries and binary normal stars such as RS CVn stars and colliding wind sources like Eta Car. Normal late type stars may have polarized flux from coronal flares. But X-ray polarization sensitivity is not at the level needed for single early type stars.

Electronic structure study of Co doped CeO2 nanoparticles using X-ray absorption fine structure spectroscopy

International Nuclear Information System (INIS)

Kumar, Shalendra; Gautam, Sanjeev; Song, T.K.; Chae, Keun Hwa; Jang, K.W.; Kim, S.S.

2014-01-01

Highlights: • The electronic structural of Co–CeO 2 nanoparticles is investigated using XAFS. • Ce M 5,4 , Ce L 3 and O K edge NEXAFS reveal that the Ce-ions are in +4 valence state. • The NEXAFS spectrum performed at Co L3,2-edge confirms Co-ion in 2+ state. • The EXAFS analysis also show that Co ions are occupying Ce position in doped CeO 2 . • The distances between Ce–O and Ce–Ce/Co in all shells decreases with Co doping. - Abstract: We investigated the electronic structure of well characterized Co doped CeO 2 nanoparticles using X-ray absorption fine structure (XAFS) spectroscopy. Near edge X-ray absorption fine structure (NEXAFS) spectra at Ce M 5,4 , Ce L 3 and O K-edge conclude that the Ce-ions are in +4 valence state in pure as well as in Co doped CeO 2 nanoparticles. The local structure around Ce-atom in Co doped CeO 2 nanoparticles was also determined using extended X-ray absorption fine structure (EXAFS) spectroscopy at Ce L 3 edge. The EXAFS analysis suggest that the inter-atomic distance of Ce–O, Ce–Ce/Co decreases with Co doping, which indicate a contraction of the lattice. The decease in Ce–O distance also reflect that there is a formation of oxygen vacancies in CeO 2 matrix. The Debye–Waller factor also shows the consistent behaviour for all the coordination shells. The atomic multiplet calculations for Co L 3,2 -edge was performed to determine the valence state, symmetry and field splitting, which reflect that Co-ions are in 2+ state and substituted at Ce-site with crystal field splitting of 10Dq=-0.57eV. The XAFS measurements reveal that the Co-ions occupy the Ce position in the CeO 2 host matrix and create a oxygen vacancy

X-ray structure based evaluation of analogs of citalopram

DEFF Research Database (Denmark)

Topiol, Sid; Bang-Andersen, Benny; Sanchez, Connie

2017-01-01

The recent publication of X-ray structures of SERT includes structures with the potent antidepressant S-Citalopram (S-Cit). Earlier predictions of ligand binding at both a primary (S1) and an allosteric modulator site (S2), were confirmed. We provide herein examples of a series of Citalopram anal...

Recent progress of soft X-ray photoelectron spectroscopy studies of uranium compounds

Energy Technology Data Exchange (ETDEWEB)

Fujimori, Shin-ichi; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Fujimori, Atsushi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, University of Tokyo, Hongo, Tokyo 113-0033 (Japan); Yamagami, Hiroshi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan); Yamamoto, Etsuji; Haga, Yoshinori [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Ōnuki, Yoshichika [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Faculty of Science, University of the Ryukyus, Nishihara, Okinawa 903-0213 (Japan)

2016-04-15

Recent progresses in the soft X-ray photoelectron spectroscopy (PES) studies (hν ≳ 100 eV) for uranium compounds are briefly reviewed. The soft X-ray PES has enhanced sensitivities for the bulk U 5f electronic structure, which is essential to understand the unique physical properties of uranium compounds. In particular, the recent remarkable improvement in energy resolutions from an order of 1 eV to 100 meV made it possible to observe fine structures in U 5f density of states. Furthermore, soft X-ray ARPES becomes available due to the increase of photon flux at beamlines in third generation synchrotron radiation facilities.The technique made it possible to observe bulk band structures and Fermi surfaces of uranium compounds and therefore, the results can be directly compared with theoretical models such as band-structure calculations. The core-level spectra of uranium compounds show a systematic behavior depending on their electronic structures, suggesting that they can be utilized to determine basic physical parameters such as the U 5f-ligand hybridizations or Comlomb interaction between U 5f electrons. It is shown that soft X-ray PES provides unique opportunities to understand the electronic structures of uranium compounds.

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

Science.gov (United States)

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

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

Soft x rays for radiobiological studies

International Nuclear Information System (INIS)

Ban, Sadayuki; Iida, Shozo; Shimba, Hachiro; Awa, A.A.; Hamilton, H.B.; Clifton, K.H.

1986-04-01

Lethal effects and chromosome aberrations induced in cells exposed to low energy (soft) X rays demonstrated that these relatively low energy X rays are just as effective as those of higher energy for radiobiological studies, and even more effective for irradiating cultured mammalian cells than laboratory animals. (author)

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...

Small-angle X-ray scattering studies of thermally-induced globular protein gels

International Nuclear Information System (INIS)

Clark, A.H.; Tuffnell, C.D.

1980-01-01

Small-angle X-ray scattering has been applied to gels formed by heating globular proteins, in aqueous solution, above their unfolding temperatures. A number of BSA gels, previously characterised by electron microscopy, have been studied, and by setting up theoretical models for the scattering process, the X-ray data have been shown to be consistent with the microscope conclusions regarding network structure. It is concluded that the networks form by a linearly-directed aggregation of unfolded, disc-like, protein molecules, three-dimensional geometry being achieved by occasional branching, and/or cross-linking. Long-range inhomogeneities in network structure, easily observed by electron microscopy, and correlated with variations in pH or ionic strength, have an effect on X-ray scattering, and hence the X-ray method is sensitive not only to different network strand thicknesses, but to different degrees of uniformity as well. (author)

Neutron and X-ray diffraction from modulated structures

International Nuclear Information System (INIS)

Harris, P.

1994-07-01

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

Structural mechanics of the solar-A Soft X-ray Telescope

Science.gov (United States)

Jurcevich, B. K.; Bruner, M. E.; Gowen, K. F.

1992-01-01

The Soft X-ray Telescope (SXT) is one of four major instruments that constitute the payload of the NASA-Japanese mission YOHKOH (formerly known as Solar-A), scheduled to be launched in August, 1991. This paper describes the design of the SXT, the key system requirements, and the SXT optical and structural systems. Particular attention is given to the design considerations for stiffness and dimensional stability, temperature compensation, and moisture sensitivyty control. Consideration is also given to the X-ray mirror, the aspect telescope, the entrance filters, the mechanical structure design, the aft support plate and mount, the SXT finite element model, and other subsystems.

X-ray spectroscopic studies of uranium transformations in microbial cultures

International Nuclear Information System (INIS)

Dodge, C.J.; Francis, A.J.; Clayton, C.R.

1995-01-01

Microbial transformations of uranyl nitrate, U:citric acid, and mixed metal U:Fe:citric acid complex were investigated. X-ray photoelectron spectroscopy (XPS) and X-ray absorption near edge structure (XANES) analyses showed that soluble U 6+ was reduced to insoluble U 4+ by Clostridium sp. and was associated with the bacterial surface, whereas U 3+ was observed within the biomass. Uranium forms a binuclear complex with citric acid involving two carboxylic acid groups and the hydroxyl group. Biodegradation studies of U:citric acid and U:Fe:citric acid complexes using Pseudomonas fluorescens showed they were recalcitrant. The lack of biodegradation was due to the nature of the metal-citrate complex species and not due to toxicity. Characterization of the mixed metal U:Fe:citric acid complex by extended X-ray absorption fine structure (EXAFS) indicated that Fe was associated with the U and citric acid, resulting in formation of a bionuclear mixed metal citrate complex

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures.

Science.gov (United States)

McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

2014-09-01

X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of D-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

Electronic structure of polycrystalline cadmium dichloride studied by X-ray spectroscopies and ab initio calculations

International Nuclear Information System (INIS)

Demchenko, I.N.; Chernyshova, M.; Stolte, W.C.; Speaks, D.T.; Derkachova, A.

2012-01-01

The electronic structure of cadmium dichloride has been studied by X-ray absorption near edge structure (XANES) and, for the first time, by resonant inelastic X-ray scattering (RIXS) at the Cl K edge. Good agreement was obtained between the non-resonant X-ray emission (XES) along with XANES experimental spectra and the calculated Cl 3p local partial density of states (DOS). The calculations were performed using the full-potential linearized-augmented-plane-wave with the local orbitals (FP-(L)APW l o) method utilized in the WIEN2k code. It was shown that the position of the RIXS band in CdCl 2 follows a linear dispersion according to the Raman–Stokes law if the excitation energy is tuned below the absorption threshold. The situation changes for core excitation above the photoabsorption threshold where the dispersion relation is split into two branches. The position of the resonant contribution does not depend on the excitation energy, while the excitonic sideband follows the Raman–Stoke law. Combined XANES and RIXS measurements compared to calculated band structure allowed us to determine the direct band gap of CdCl 2 to be at 5.7 ± 0.05 eV. -- Highlights: ► XANES at the K edge of Cl and related emission KV band interpreted within the ab initio DFT formalism. ► Two dominant contributions observed in RIXS data: the resonant and the excitonic ones. ► The dispersion relation below the absorption threshold follows Raman–Stokes law. ► Dispersion above the threshold splits into two qualitatively different relations. ► Overlapping of XAS spectrum with RIXS one makes possible to estimate direct band gap value to be 5.7 eV.

Structural investigation of GaInP nanowires using X-ray diffraction

DEFF Research Database (Denmark)

Kriegner, D.; Persson, Johan Mikael; Etzelstorfer, T.

2013-01-01

In this work the structure of ternary GaxIn1−xP nanowires is investigated with respect to the chemical composition and homogeneity. The nanowires were grown by metal–organic vapor-phase epitaxy. For the investigation of ensemble fluctuations on several lateral length scales, X-ray diffraction...... gradients along the sample by recording diffraction patterns at different positions. In addition, compositional variations were found also within single nanowires in X-ray energy dispersive spectroscopy measurements....

The one- and two-coordinate x-ray detectors

International Nuclear Information System (INIS)

Aulchenko, V.M.; Baru, S.E.; Khabakhpashev, A.G.; Savinov, G.A.

1992-01-01

The Institute of Nuclear Physics has designed and fabricated one- and two-coordinate x-ray detectors since 1975. For photon detection multiwire proportional chambers that operate in direct pulse count mode are employed. The characteristics of the detectors allow successful use of them for a wide range of diffractive x-ray structure studies, including studies of dynamics of structure variation (x-ray diffractive movies) and measurements at synchrotron radiation channels

X-ray lasers for structural and dynamic biology

International Nuclear Information System (INIS)

Spence, J C H; Weierstall, U; Chapman, H N

2012-01-01

Research opportunities and techniques are reviewed for the application of hard x-ray pulsed free-electron lasers (XFEL) to structural biology. These include the imaging of protein nanocrystals, single particles such as viruses, pump–probe experiments for time-resolved nanocrystallography, and snapshot wide-angle x-ray scattering (WAXS) from molecules in solution. The use of femtosecond exposure times, rather than freezing of samples, as a means of minimizing radiation damage is shown to open up new opportunities for the molecular imaging of biochemical reactions at room temperature in solution. This is possible using a ‘diffract-and-destroy’ mode in which the incident pulse terminates before radiation damage begins. Methods for delivering hundreds of hydrated bioparticles per second (in random orientations) to a pulsed x-ray beam are described. New data analysis approaches are outlined for the correlated fluctuations in fast WAXS, for protein nanocrystals just a few molecules on a side, and for the continuous x-ray scattering from a single virus. Methods for determining the orientation of a molecule from its diffraction pattern are reviewed. Methods for the preparation of protein nanocrystals are also reviewed. New opportunities for solving the phase problem for XFEL data are outlined. A summary of the latest results is given, which now extend to atomic resolution for nanocrystals. Possibilities for time-resolved chemistry using fast WAXS (solution scattering) from mixtures is reviewed, toward the general goal of making molecular movies of biochemical processes. (key issues reviews)

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

Energy Technology Data Exchange (ETDEWEB)

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

2007-06-04

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

Photovoltaic x-ray detectors based on the GaAs epitaxial structures

CERN Document Server

Akhmadullin, R A; Dvoryankina, G G; Dikaev, Y M; Ermakov, M G; Ermakova, O N; Krikunov, A I; Kudryashov, A A; Petrov, A G; Telegin, A A

2002-01-01

The new photovoltaic detector of the X-ray radiation is proposed on the basis of the GaAs epitaxial structures, which operates with high efficiency of the charge carriers collection without shift voltage and at the room temperature. The structures are grown by the method of the gas-phase epitaxy on the n sup + -type highly-alloyed substrates. The range of sensitivity to the X-ray radiation is within the range of effective energies from 8 up to 120 keV. The detector maximum response in the current short circuit mode is determined

Local electronic and geometrical structures of hydrogen-bonded complexes studied by soft X-ray spectroscopy

International Nuclear Information System (INIS)

Luo, Y.

2004-01-01

Full text: The hydrogen bond is one of the most important forms of intermolecular interactions. It occurs in all-important components of life. However, the electronic structures of hydrogen-bonded complexes in liquid phases have long been difficult to determine due to the lack of proper experimental techniques. In this talk, a recent joint theoretical and experimental effort to understand hydrogen bonding in liquid water and alcohol/water mixtures using synchrotron radiation based soft-X-ray spectroscopy will be presented. The complexity of the liquid systems has made it impossible to interpret the spectra with physical intuition alone. Theoretical simulations have thus played an essential role in understanding the spectra and providing valuable insights on the local geometrical and electronic structures of these liquids. Our study sheds light on a 40-year controversy over what kinds of molecular structures are formed in pure liquid methanol. It also suggests an explanation for the well-known puzzle of why alcohol and water do not mix completely: the system must balance nature's tendency toward greater disorder (entropy) with the molecules' tendency to form hydrogen bonds. The observation of electron sharing and broken hydrogen bonding local structures in liquid water will be presented. The possible use of X-ray spectroscopy to determinate the local arrangements of hydrogen-bonded nanostructures will also been discussed

Quantitative X-ray determination of CFRP micro structures

International Nuclear Information System (INIS)

Hentschel, Manfred P.; Mueller, Bernd R.; Lange, Axel; Wald, Oliver

2008-01-01

Beyond imaging the mass distribution of materials by X-ray absorption techniques recent synchrotron and laboratory X-ray refraction techniques provide interface contrast imaging of micro structures. This is of specific relevance to carbon fibre composites (CFRP) which constitute advanced aerospace components. Apart from merely finding isolated flaws like cracks or pores within the natural high interface density only the quantitative measurement of the differences after defined mechanical treatment provides a reliable understanding of the related macroscopic properties. The contribution of the fibre matrix interface of CFRP laminates to the mechanical properties is investigated by relating the mechanical damage to the additional fibre debonding after impact and fatigue. Composites of industrially sized carbon fibres for aerospace applications and of unsized fibres are compared. (orig.)

Studies in the X-Ray Emission of Clusters of Galaxies and Other Topics

Science.gov (United States)

Vrtilek, Jan; Thronson, Harley (Technical Monitor)

2001-01-01

The paper discusses the following: (1) X-ray study of groups of galaxies with Chandra and XMM. (2) X-ray properties of point sources in Chandra deep fields. (3) Study of cluster substructure using wavelet techniques. (4) Combined study of galaxy clusters with X-ray and the S-Z effect. Groups of galaxies are the fundamental building blocks of large scale structure in the Universe. X-ray study of the intragroup medium offers a powerful approach to addressing some of the major questions that still remain about almost all aspects of groups: their ages, origins, importance of composition of various galaxy types, relations to clusters, and origin and enrichment of the intragroup gas. Long exposures with Chandra have opened new opportunities for the study of X-ray background. The presence of substructure within clusters of galaxies has substantial implications for our understanding of cluster evolution as well as fundamental questions in cosmology.

Structure determination by X-ray crystallography

CERN Document Server

Ladd, M F C

1977-01-01

Crystallography may be described as the science of the structure of materi­ als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal­ lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post­ graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain ...

X-ray microtomography

International Nuclear Information System (INIS)

Dunsmuir, J.H.; Ferguson, S.R.; D'Amico, K.L.; Stokes, J.P.

1991-01-01

In this paper the authors describe the application of a new high-resolution X-ray tomographic microscope to the study of porous media. The microscope was designed to exploit the properties of a synchrotron X-ray source to perform three dimensional tomography on millimeter sized objects with micron resolution and has been used in materials science studies with both synchrotron and conventional and synchrotron sources will be compared. In this work the authors have applied the microscope to measure the three dimensional structure of fused bead packs and berea sandstones with micron resolution and have performed preliminary studies of flow in these media with the microscope operated in a digital subtraction radiography mode. Computer graphics techniques have been applied to the data to visually display the structure of the pore body system. Tomographic imaging after flow experiments should detect the structure of the oil-water interface in the pore network and this work is ongoing

Study on the structure of Fe sub 2 O sub 3 xerogels by small angle X-ray scattering

CERN Document Server

Liu Yi; Zhao Xin; Yang Tong Hua; Zhao Hui; Rong Li Xia; Zhang Jing; Wang Jun; Dong Bao Zhong

2002-01-01

Small angle X-ray scattering (SAXS) with synchrotron radiation as X-ray source is used to study the pore structure of Fe sub 2 O sub 3 xerogels prepared by sol-gel procedure and then heat-treated at different temperatures. By analysing the distribution of diameters of the pores, specific surfaces and fractal behaviors in samples, the characters and mechanisms of pores growing are discussed. The results show that the pores in Fe sub 2 O sub 3 xerogels are polydisperse and the structure of the pores is mass fractal. With increase in heat-treatment temperature, the average size of diameters of the pores and the dimension of fractal of Fe sub 2 O sub 3 xerogels are increased, whereas the scale range possessing fractal behavior become narrow

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-01-28

The need for functional materials calls for increasing complexity in self-assembly systems. As a result, the ability to probe both local structure and heterogeneities, such as phase-coexistence and domain morphologies, has become increasingly important to controlling self-assembly processes, including those at liquid surfaces. The traditional X-ray scattering methods for liquid surfaces, such as specular reflectivity and grazing-incidence diffraction, are not well suited to spatially resolving lateral heterogeneities due to large illuminated footprint. A possible alternative approach is to use scanning transmission X-ray scattering to simultaneously probe local intermolecular structures and heterogeneous domain morphologies on liquid surfaces. To test the feasibility of this approach, transmission small- and wide-angle X-ray scattering (TSAXS/TWAXS) studies of Langmuir films formed on water meniscus against a vertically immersed hydrophilic Si substrate were recently carried out. First-order diffraction rings were observed in TSAXS patterns from a monolayer of hexagonally packed gold nanoparticles and in TWAXS patterns from a monolayer of fluorinated fatty acids, both as a Langmuir monolayer on water meniscus and as a Langmuir–Blodgett monolayer on the substrate. The patterns taken at multiple spots have been analyzed to extract the shape of the meniscus surface and the ordered-monolayer coverage as a function of spot position. These results, together with continual improvement in the brightness and spot size of X-ray beams available at synchrotron facilities, support the possibility of using scanning-probe TSAXS/TWAXS to characterize heterogeneous structures at liquid surfaces.

Structural phase transitions in Bi[sub 2]V[sub 1[minus]x]Ge[sub x]O[sub 5. 5[minus]x/2] (x = 0. 2, 0. 4, and 0. 6) single crystals: X-ray crystallographic study

Energy Technology Data Exchange (ETDEWEB)

Sooryanarayana, K.; Guru Row, T.N.; Varma, K.B.R. (Indian Inst. of Science, Bangalore (India))

1999-02-01

Single crystals of Bi[sub 2]V[sub 1[minus]x]Ge[sub x]O[sub 5.5[minus]x/2] (x = 0.2, 0.4, and 0.6) were grown by slow cooling of melts. Bismuth vanadate transforms from an orthorhombic to a tetragonal structure and subsequently to an orthorhombic system when the Ge[sup 4+] concentration was varied from x = 0.2 to x = 0.6. All of these compositions crystallized in polar space groups (Aba2, F4mm, and Fmm2 for x = 0.2, 0.4, and 0.6, respectively). The structures were fully determined by single crystal X-ray diffraction studies.

Soft x-ray measurement of internal tearing mode structure in a reversed-field pinch

International Nuclear Information System (INIS)

Chartas, G.; Hokin, S.

1991-01-01

The structure of internally resonant tearing modes has been studied in the Madison Symmetric Torus reversed-field pinch with a soft x-ray detector system consisting of an imaging array at one toroidal location and several detectors at different toroidal locations. The toroidal mode numbers of m = 1 structures are in the range n = -5, -6, -7. The modes propagate with phase velocity v = 1--6 x 10 6 cm/s, larger than the diamagnetic drift velocity v d ∼ 5 x 10 5 cm/s. Phase locking between modes with different n in manifested as a beating of soft x-ray signals which is found to be strongest near the resonant surfaces of the modes (r/a = 0.1 -- 0.5). 15 refs., 5 figs

From electron microscopy to X-ray crystallography: molecular-replacement case studies

International Nuclear Information System (INIS)

Xiong, Yong

2008-01-01

Test studies have been conducted on five crystal structures of large molecular assemblies, in which EM maps are used as models for structure solution by molecular replacement using various standard MR packages such as AMoRe, MOLREP and Phaser. Multi-component molecular complexes are increasingly being tackled by structural biology, bringing X-ray crystallography into the purview of electron-microscopy (EM) studies. X-ray crystallography can utilize a low-resolution EM map for structure determination followed by phase extension to high resolution. Test studies have been conducted on five crystal structures of large molecular assemblies, in which EM maps are used as models for structure solution by molecular replacement (MR) using various standard MR packages such as AMoRe, MOLREP and Phaser. The results demonstrate that EM maps are viable models for molecular replacement. Possible difficulties in data analysis, such as the effects of the EM magnification error, and the effect of MR positional/rotational errors on phase extension are discussed

X-ray structure determination and deuteration of nattokinase

International Nuclear Information System (INIS)

Yanagisawa, Yasuhide; Chatake, Toshiyuki; Naito, Sawa; Ohsugi, Tadanori; Yatagai, Chieko; Sumi, Hiroyuki; Kawaguchi, Akio; Chiba-Kamosida, Kaori; Ogawa, Megumi; Adachi, Tatsumi; Morimoto, Yukio

2013-01-01

X-ray structure determination and deuteration of nattokinase were performed to facilitate neutron crystallographic analysis. Nattokinase (NK) is a strong fibrinolytic enzyme, which is produced in abundance by Bacillus subtilis natto. Although NK is a member of the subtilisin family, it displays different substrate specificity when compared with other subtilisins. The results of molecular simulations predict that hydrogen arrangements around Ser221 at the active site probably account for the substrate specificity of NK. Therefore, neutron crystallographic analysis should provide valuable information that reveals the enzymatic mechanism of NK. In this report, the X-ray structure of the non-hydrogen form of undeuterated NK was determined, and the preparation of deuterated NK was successfully achieved. The non-hydrogen NK structure was determined at 1.74 Å resolution. The three-dimensional structures of NK and subtilisin E from Bacillus subtilis DB104 are near identical. Deuteration of NK was carried out by cultivating Bacillus subtilis natto in deuterated medium. The D 2 O resistant strain of Bacillus subtilis natto was obtained by successive cultivation rounds, in which the concentration of D 2 O in the medium was gradually increased. NK was purified from the culture medium and its activity was confirmed by the fibrin plate method. The results lay the framework for neutron protein crystallography analysis

Providing x-rays

International Nuclear Information System (INIS)

Mallozzi, P.J.; Epstein, H.M.

1985-01-01

This invention provides an apparatus for providing x-rays to an object that may be in an ordinary environment such as air at approximately atmospheric pressure. The apparatus comprises: means (typically a laser beam) for directing energy onto a target to produce x-rays of a selected spectrum and intensity at the target; a fluid-tight enclosure around the target; means for maintaining the pressure in the first enclosure substantially below atmospheric pressure; a fluid-tight second enclosure adjoining the first enclosure, the common wall portion having an opening large enough to permit x-rays to pass through but small enough to allow the pressure reducing means to evacuate gas from the first enclosure at least as fast as it enters through the opening; the second enclosure filled with a gas that is highly transparent to x-rays; the wall of the second enclosure to which the x-rays travel having a portion that is highly transparent to x-rays (usually a beryllium or plastic foil), so that the object to which the x-rays are to be provided may be located outside the second enclosure and adjacent thereto and thus receive the x-rays substantially unimpeded by air or other intervening matter. The apparatus is particularly suited to obtaining EXAFS (extended x-ray fine structure spectroscopy) data on a material

Resonant X-ray scattering in correlated systems

Energy Technology Data Exchange (ETDEWEB)

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

2017-03-01

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

Resonant x-ray scattering in correlated systems

CERN Document Server

Ishihara, Sumio

2017-01-01

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

The origin of luminescence from di[4-(4-diphenylaminophenyl)phenyl]sulfone (DAPSF), a blue light emitter: an X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) study.

Science.gov (United States)

Zhang, Duo; Zhang, Hui; Zhang, Xiaohong; Sham, Tsun-Kong; Hu, Yongfeng; Sun, Xuhui

2016-03-07

The electronic structure and optical properties of di[4-(4-diphenylaminophenyl)phenyl]sulfone (denoted as DAPSF), a highly efficient fluorophor, have been investigated using X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) spectroscopy at excitation energies across the C, N, O K-edges and the sulfur K-edge. The results indicate that the blue luminescence is mainly related to the sulfur functional group.

X-ray and photoelectron spectroscopy of the structure, reactivity, and electronic structure of semiconductor nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Hamad, Kimberly Sue [Univ. of California, Berkeley, CA (United States)

2000-01-01

Semiconductor nanocrystals are a system which has been the focus of interest due to their size dependent properties and their possible use in technological applications. Many chemical and physical properties vary systematically with the size of the nanocrystal and thus their study enables the investigation of scaling laws. Due to the increasing surface to volume ratio as size is decreased, the surfaces of nanocrystals are expected to have a large influence on their electronic, thermodynamic, and chemical behavior. In spite of their importance, nanocrystal surfaces are still relatively uncharacterized in terms of their structure, electronic properties, bonding, and reactivity. Investigation of nanocrystal surfaces is currently limited by what techniques to use, and which methods are suitable for nanocrystals is still being determined. This work presents experiments using x-ray and electronic spectroscopies to explore the structure, reactivity, and electronic properties of semiconductor (CdSe, InAs) nanocrystals and how they vary with size. Specifically, x-ray absorption near edge spectroscopy (XANES) in conjunction with multiple scattering simulations affords information about the structural disorder present at the surface of the nanocrystal. X-ray photoelectron spectroscopy (XPS) and ultra-violet photoelectron spectroscopy (UPS) probe the electronic structure in terms of hole screening, and also give information about band lineups when the nanocrystal is placed in electric contact with a substrate. XPS of the core levels of the nanocrystal as a function of photo-oxidation time yields kinetic data on the oxidation reaction occurring at the surface of the nanocrystal.

Picosecond x-ray streak camera studies

International Nuclear Information System (INIS)

Kasyanov, Yu.S.; Malyutin, A.A.; Richardson, M.C.; Chevokin, V.K.

1975-01-01

Some initial results of direct measurement of picosecond x-ray emission from laser-produced plasmas are presented. A PIM-UMI 93 image converter tube, incorporating an x-ray sensitive photocathode, linear deflection, and three stages of image amplification was used to analyse the x-ray radiation emanating from plasmas produced from solid Ti targets by single high-intensity picosecond laser pulses. From such plasmas, the x-ray emission typically persisted for times of 60psec. However, it is shown that this detection system should be capable of resolving x-ray phenomena of much shorter duration. (author)

Synchronization of x-ray pulses to the pump laser in an ultrafast x-ray facility

International Nuclear Information System (INIS)

Corlett, J.N.; Barry, W.; Byrd, J.M.; Schoenlein, R.; Zholents, A.

2002-01-01

Accurate timing of ultrafast x-ray probe pulses emitted from a synchrotron radiation source with respect to a pump laser exciting processes in the sample under study is critical for the investigation of structural dynamics in the femtosecond regime. We describe a scheme for synchronizing femtosecond x-ray pulses relative to a pump laser. X-ray pulses of <100 fs duration are generated from a proposed source based on a recirculating superconducting linac [1,2,3]. Short x-ray pulses are obtained by a process of electron pulse compression, followed by transverse temporal correlation of the electrons, and ultimately x-ray pulse compression. Timing of the arrival of the x-ray pulse with respect to the pump laser is found to be dominated by the operation of the deflecting cavities which provide the transverse temporal correlation of the electrons. The deflecting cavities are driven from a highly stable RF signal derived from a modelocked laser oscillator which is also the origin of the pump l aser pulses

Extended x-ray absorption fine structure study of MnFeP0.56Si0.44 compound

International Nuclear Information System (INIS)

Li Ying-Jie; Haschaolu W; Wurentuya; Song Zhi-Qiang; Ou Zhi-Qiang; Tegus O; Nakai Ikuo

2015-01-01

The MnFeP 0.56 Si 0.44 compound is investigated by x-ray diffraction, magnetic measurements, and x-ray absorption fine structure spectroscopy. It crystallizes in Fe 2 P-type structure with the lattice parameters a = b = 5.9823(0) Å and c = 3.4551(1) Å and undergoes a first-order phase transition at the Curie temperature of 255 K. The Fe K edge and Mn K edge x-ray absorption fine structure spectra show that Mn atoms mainly reside at 3g sites, while 3f sites are occupied by Fe atoms. The distances between the absorbing Fe atom and the first and second nearest neighbor Fe atoms in a 3f-layer shift from 2.65 Å and 4.01 Å in the ferromagnetic state to 2.61 Å and 3.96 Å in the paramagnetic phase. On the other hand, the distance between the 3g-layer and 3f-layer changes a little as 2.66 Å–2.73 Å below the Curie temperature and 2.68 Å–2.75 Å above it. (paper)

In situ X-ray studies of film cathodes for solid oxide fuel cells

International Nuclear Information System (INIS)

Fuoss, Paul; Chang, Kee-Chul; You, Hoydoo

2013-01-01

Highlights: •Synchrotron X-rays are used to study in operando the structural and chemical changes of LSM and LSCF film cathodes during half-cell operations. •A-site and B-site cations actively segregate or desegregate on the changes of temperature, pO 2 , and electrochemical potential. •Chemical lattice expansions show that oxygen-cathode interface is the primary source of rate-limiting processes. •The surface and subsurface of the LSM and LSCF films have different oxidation-states due to vacancy concentration changes. •Liquid-phase infiltration and coarsening processes of cathode materials into porous YSZ electrolyte backbone were monitored by USAXS. -- Abstract: Synchrotron-based X-ray techniques have been used to study in situ the structural and chemical changes of film cathodes during half-cell operations. The X-ray techniques used include X-ray reflectivity (XR), total-reflection X-ray fluorescence (TXRF), high-resolution diffraction (HRD), ultra-small angle X-ray scattering (USAXS). The epitaxial thin film model cathodes for XR, TXRF, and HRD measurements are made by pulse laser deposition and porous film cathodes for USAX measurements are made by screen printing technique. The experimental results reviewed here include A-site and B-site segregations, lattice expansion, oxidation-state changes during cell operations and liquid-phase infiltration and coarsening of cathode to electrolyte backbone

X-ray Imaging and preliminary studies of the X-ray self-emission from an innovative plasma-trap based on the Bernstein waves heating mechanism

Science.gov (United States)

Caliri, C.; Romano, F. P.; Mascali, D.; Gammino, S.; Musumarra, A.; Castro, G.; Celona, L.; Neri, L.; Altana, C.

2013-10-01

Electron Cyclotron Resonance Ion Sources (ECRIS) are based on ECR heated plasmas emitting high fluxes of X-rays. Here we illustrate a pilot study of the X-ray emission from a compact plasma-trap in which an off-resonance microwave-plasma interaction has been attempted, highlighting a possible Bernstein-Waves based heating mechanism. EBWs-heating is obtained via the inner plasma EM-to-ES wave conversion and enables to reach densities much larger than the cut-off ones. At LNS-INFN, an innovative diagnostic technique based on the design of a Pinhole Camera (PHC) coupled to a CCD device for X-ray Imaging of the plasma (XRI) has been developed, in order to integrate X-ray traditional diagnostics (XRS). The complementary use of electrostatic probes measurements and X-ray diagnostics enabled us to gain knowledge about the high energy electrons density and temperature and about the spatial structure of the source. The combination of the experimental data with appropriate modeling of the plasma-source allowed to estimate the X-ray emission intensity in different energy domains (ranging from EUV up to Hard X-rays). The use of ECRIS as X-ray source for multidisciplinary applications, is now a concrete perspective due to the intense fluxes produced by the new plasma heating mechanism.

X-ray Diffraction Studies of the Structure and Thermochemistry of Alkaline-Earth Oxide-Coated Thermionic Cathodes

Science.gov (United States)

Karikari, E. K.; Bassey, E.; Wintucky, Edwin G.

1998-01-01

NASA LeRC has a broad, active cathode technology development program in which both experimental and theoretical studies are being employed to further development of thermionic cathodes for use as electron sources in vacuum devices for communications and other space applications. One important type of thermionic cathode under development is the alkaline-earth oxide-coated (BaO, SrO, CaO) cathode. Significant improvements in the emission characteristics of this cathode have been obtained through modification of the chemical composition and morphology of the oxide coating, with the best result thus far coming from the addition of In2O3 and Sc2O3. Whereas the In2O3 produces a finer, more uniform particle structure, the exact chemical state and role of the Sc2O3 in the emission enhancement is unknown. The purpose of this cooperative agreement is to combine the studies of the surface chemistry and electron emission at NASA LeRC of chemically modified oxide coatings with a study of the thermochemistry and crystal structure using X-ray diffraction equipment and expertise at Clark Atlanta University (CAU). The study at CAU is intended to provide the description and understanding of the structure and thermochemistry needed for further improvement and optimization of the modified coatings. A description of the experimental procedure, preliminary X-ray diffraction test results, together with the design of an ultrahigh vacuum chamber necessary for high temperature thermochemistry studies will be presented.

Structure factor of dimyristoylphosphatidylcholine unilamellar vesicles: small-angle x-ray scattering study

International Nuclear Information System (INIS)

Kiselev, M.A.; Aksenov, V.L.; Lombardo, D.; Kisselev, A.M.; Lesieur, P.

2003-01-01

Small-angle X-ray scattering (SAXS) experiments have been performed on dimyristoylphosphatidylcholine (DMPC) unilamellar vesicles in 40% aqueous sucrose solution. Model of separated form factors was applied for the evaluation of SAXS curves from large unilamellar vesicles. For the first time vesicle structure factor, polydispersity, average radius and membrane thickness were calculated simultaneously from the SAXS curves at T=30 deg C for DMPC concentrations in the range from 15 to 75 mM (1-5% w/w). Structure factor correction to the scattering curve was shown to be negligibly small for the lipid concentration of 15 mM (1% w/w). It was proved to be necessary to introduce structure factor correction to the scattering curves for lipid concentrations ≥ 30 mM (2% w/w)

Structure Factor of Dimyristoylphosphatidylcholine Unilamellar Vesicles Small-Angle X-Ray Scattering Study

CERN Document Server

Kiselev, M A; Kisselev, A M; Lesieur, P; Aksenov, V L

2003-01-01

Small-angle X-ray scattering (SAXS) experiments have been performed on dimyristoylphosphatidylcholine (DMPC) unilamellar vesicles in 40 % aqueous sucrose solution. Model of separated form factors was applied for the evaluation of SAXS curves from large unilamellar vesicles. For the first time vesicle structure factor, polydispersity, average radius and membrane thickness were calculated simultaneously from the SAXS curves at T=306{\\circ}C for DMPC concentrations in the range from 15 to 75 mM (1-5 % w/w). Structure factor correction to the scattering curve was shown to be negligibly small for the lipid concentration of 15 mM (1 % w/w). It was proved to be necessary to introduce structure factor correction to the scattering curves for lipid concentrations {\\ge}30 mM (2 % w/w).

Lattice distortions in TlInSe{sub 2} thermoelectric material studied by X-ray absorption fine structure

Energy Technology Data Exchange (ETDEWEB)

Hosokawa, Shinya; Stellhorn, Jens Ruediger [Department of Physics, Kumamoto University, Kumamoto (Japan); Ikemoto, Hiroyuki [Department of Physics, University of Toyama, Toyama (Japan); Mimura, Kojiro [Department of Mathematical Sciences, Graduate School of Engineering, Osaka Prefecture University, Sakai (Japan); Wakita, Kazuki [Faculty of Engineering, Chiba Institute of Technology, Narashino (Japan); Mamedov, Nazim [Institute of Physics, Azerbaijan National Academy of Sciences, Baku (Azerbaijan)

2018-01-15

Tl L{sub II} and In K X-ray absorption fine structure (XAFS) measurements were performed on a TlInSe{sub 2} thermoelectric material in the temperature range of 25-300 K including the incommensurate-commensurate phase transition temperature of about 135 K. Most of the bond lengths obtained from the present XAFS measurements are in good agreement with existing X-ray diffraction data at room temperature, while only the Tl-Tl correlation shows inconsistent values indicating the commensurate properties of the Tl chains expected from the thermodynamic properties. The present XAFS data clearly support positional fluctuations of the Tl atoms found in three-dimensional atomic images reconstructed from X-ray fluorescence holography. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

Science.gov (United States)

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

2017-11-01

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

Do All X-ray Structures of Protein-Ligand Complexes Represent Functional States? EPOR, a Case Study.

Science.gov (United States)

Corbett, Michael S P; Mark, Alan E; Poger, David

2017-02-28

Based on differences between the x-ray crystal structures of ligand-bound and unbound forms, the activation of the erythropoietin receptor (EPOR) was initially proposed to involve a cross-action scissorlike motion. However, the validity of the motions involved in the scissorlike model has been recently challenged. Here, atomistic molecular dynamics simulations are used to examine the structure of the extracellular domain of the EPOR dimer in the presence and absence of erythropoietin and a series of agonistic or antagonistic mimetic peptides free in solution. The simulations suggest that in the absence of crystal packing effects, the EPOR chains in the different dimers adopt very similar conformations with no clear distinction between the agonist and antagonist-bound complexes. This questions whether the available x-ray crystal structures of EPOR truly represent active or inactive conformations. The study demonstrates the difficulty in using such structures to infer a mechanism of action, especially in the case of membrane receptors where just part of the structure has been considered in addition to potential confounding effects that arise from the comparison of structures in a crystal as opposed to a membrane environment. The work highlights the danger of assigning functional significance to small differences between structures of proteins bound to different ligands in a crystal environment without consideration of the effects of the crystal lattice and thermal motion. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Structural and dynamical study about denatured states of yeast phosphoglycerate kinase by neutrons scattering and X-rays

International Nuclear Information System (INIS)

Receveur, V.

1997-01-01

During a long time, the neutron scattering and X-rays techniques have not been used for the studies bearing on the folding of proteins. The compactness and the globularness of a protein are two structural characteristics describing the denatured states and the intermediate states of folding, and the neutrons and x-rays scattering are probably the two techniques the most appropriate to give this kind of information; they are sensible to the spatial extent and to the molecules compactness, and to their general shape. For these three or four last years, the works using these techniques are increasing, giving precious knowledge on the different steps of folding and on the interactions stabilizing the denatured or intermediate states. This thesis falls into this category. (N.C.)

Structure of bimetallic clusters. Extended x-ray absorption fine structure (EXAFS) studies of Rh--Cu clusters

International Nuclear Information System (INIS)

Meitzner, G.; Via, G.H.; Lytle, F.W.; Sinfelt, J.H.

1983-01-01

An investigation of the structure of the bimetallic clusters present in rhodium--copper catalysts was conducted with the use of extended x-ray absorption fine structure (EXAFS) measurements. Two catalysts were studied, both employing silica as a support for the clusters and both containing 1 wt. % rhodium. In one catalyst the Cu:Rh atomic ratio was 1:2 and in the other 1:1. Studies were made of the EXAFS associated with the K absorption edges of the rhodium and copper. The results of the EXAFS studies indicate that copper concentrates at the surface of the rhodium--copper clusters. In this regard the results are similar to our earlier reported results on ruthenium--copper clusters. However, the extent of surface segregation of the copper appears to be less pronounced for rhodium--copper clusters. This result is reasonable on the basis that rhodium and copper, unlike ruthenium and copper, exhibit at least some miscibility in the bulk

Experimental and theoretical study of electronic structure of aluminum in extreme conditions with X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Festa, Floriane

2013-01-01

Matter in extreme conditions belongs to Warm Dense Matter regime which lays between dense plasma regime and condensed matter. This regime is still not well known, indeed it is very complex to generate such plasma in the laboratory to get experimental data and validate models. The goal of this thesis is to study electronic structure of aluminum in extreme conditions with X-ray absorption spectroscopy. Experimentally aluminum has reached high densities and high temperatures, up to now unexplored. An X-ray source has also been generated to probe highly compressed aluminum. Two spectrometers have recorded aluminum absorption spectra and aluminum density and temperature conditions have been deduced thanks to optical diagnostics. Experimental spectra have been compared to ab initio spectra, calculated in the same conditions. The theoretical goal was to validate the calculation method in high densities and high temperatures regime with the study of K-edge absorption modifications. We also used absorption spectra to study the metal-non metal transition which takes place at low density (density ≤ solid density). This transition could be study with electronic structure modifications of the system. (author) [fr

Fabrication of high-aspect-ratio nano structures using a nano x-ray shadow mask

International Nuclear Information System (INIS)

Kim, Yong Chul; Lee, Seung S

2008-01-01

This paper describes a novel method for the fabrication of high-aspect-ratio nano structures (HAR-nano structures) using a nano x-ray shadow mask and deep x-ray lithography (DXRL). The nano x-ray shadow mask is fabricated by depositing an x-ray absorber layer (Au, 3 µm) onto the back side of a nano shadow mask. The nano shadow mask is produced with nano-sized apertures whose dimensions are reduced to several tens of nanometers by the accumulation of low-stress silicon nitride (Si x N y ) using the LPCVD process on the shadow mask. A shadow mask containing apertures with a size of 1 µm is fabricated on a bulk micromachined Si x N y membrane. The thickness of an absorber layer must be in the range of several tens of micrometers in order to obtain a contrast of more than 100 for the conventional DXRL process at the Pohang Light Source (PLS). However, a 3 µm thick absorber layer can provide a sufficient contrast if the modified DXRL of the central beam-stop method is used, which blocks high-energy x-rays. A nano shadow mask with 30 nm sized apertures is fabricated and a nano x-ray shadow mask with 250 nm sized apertures is fabricated by depositing a 3 µm thick absorber layer on a nano shadow mask with 500 nm sized apertures. HAR-nano structures (circles with a diameter of 420 nm and lines with a width of 274 nm) with aspect ratios of over 10:1 on a 3.2 µm SU-8 are successfully fabricated by using the nano x-ray shadow mask and the central beam-stop method

Target surface structure effects on x-ray generation from laser produced plasma

Energy Technology Data Exchange (ETDEWEB)

Nishikawa, Tadashi; Nakano, Hidetoshi; Uesugi, Naoshi [NTT Basic Research Laboratories, Atsugi, Kanagawa (Japan)

2000-03-01

We demonstrated two different methods to increase the x-ray conversion efficiency of laser-produced plasma by modifying the target surface structure. One way is making a rectangular groove on a target surface and confining a laser-produced plasma in it. By the plasma collision process, a time and wavelength (4-10 nm) integrated soft x-ray fluence enhancement of 35 times was obtained at a groove width of 20 {mu}m and a groove depth of 100 {mu}m on a Nd-doped glass target. The other way is making an array of nanoholes on an alumina target and increasing the laser interaction depth with it. The x-ray fluence enhancement increases as the ionization level of Al becomes higher and the x-ray wavelength becomes shorter. Over 50-fold enhancement was obtained at a soft x-ray wavelength around 6 nm, which corresponds to the emission from Al{sup 8+,9+} ions. (author)

Target surface structure effects on x-ray generation from laser produced plasma

International Nuclear Information System (INIS)

Nishikawa, Tadashi; Nakano, Hidetoshi; Uesugi, Naoshi

2000-01-01

We demonstrated two different methods to increase the x-ray conversion efficiency of laser-produced plasma by modifying the target surface structure. One way is making a rectangular groove on a target surface and confining a laser-produced plasma in it. By the plasma collision process, a time and wavelength (4-10 nm) integrated soft x-ray fluence enhancement of 35 times was obtained at a groove width of 20 μm and a groove depth of 100 μm on a Nd-doped glass target. The other way is making an array of nanoholes on an alumina target and increasing the laser interaction depth with it. The x-ray fluence enhancement increases as the ionization level of Al becomes higher and the x-ray wavelength becomes shorter. Over 50-fold enhancement was obtained at a soft x-ray wavelength around 6 nm, which corresponds to the emission from Al 8+,9+ ions. (author)

X-ray structural analysis of some Indian coals

International Nuclear Information System (INIS)

Binoy K Saikia, B.K.

2009-01-01

Coal is one of the most abundant energy resources and has the capability to meet future energy needs with high reliability. The use of coal as an energy source and as a source of organic chemicals feedstock may become more important in the future. It is physically and chemically a heterogeneous and carbonaceous rock which consists of organic and inorganic materials. Assam coal has been, and continuous to be, a valuable energy source, especially for the various industry in India and for liquefactions of coal. The basic chemical structure of coal that has been widely accepted today was built up from the synthesis of results obtained from X-ray diffraction data. The present paper reports a comparative investigation of coals from different collieries/areas of Makum coal field, Assam viz. Ledo, Tikak, Baragolai, Tipong and Tirap collieries Makum coal field, Assam with the help of X-ray diffraction (XRD). The X-ray diffraction patterns indicate that the coals are amorphous in nature. The present XRD method includes the evaluation of Function of Radial Distribution of Atoms (FRDA) and structural interpretations of the coals from their Radial Distribution Function (RDF) plots after proper corrections for air scatter, absorption by sample and polarization. The curve intensity profiles in FRDA clearly show quite regular molecular packets for these coals. The first maxima in the FRDA curves was obtained at r= 0.4 Amstrong for Ledo, Baragolai and Tipong coals whereas for Tikak coal it was observed at r= 0.5 Amstrong. The first maximum in the pair distribution function plots, G (r) of Ledo, Tikak, and Tipong coals was obtained at r=0.15 nm whereas for Baragolai and Tirap coals it was observed at r=0.14 nm and r=0.12 nm respectively, which relates to the C=C (aliphatic/aromatic) bonds in coal matrix. The Assam coal samples from Ledo, Tikak, Baragolai, Tipong and Tirap collieries of Makum coalfield have almost the same RDF inter-atomic distances except slight differences. This

Large-area soft x-ray projection lithography using multilayer mirrors structured by RIE

Science.gov (United States)

Rahn, Steffen; Kloidt, Andreas; Kleineberg, Ulf; Schmiedeskamp, Bernt; Kadel, Klaus; Schomburg, Werner K.; Hormes, F. J.; Heinzmann, Ulrich

1993-01-01

SXPL (soft X-ray projection lithography) is one of the most promising applications of X-ray reflecting optics using multilayer mirrors. Within our collaboration, such multilayer mirrors were fabricated, characterized, laterally structured and then used as reflection masks in a projecting lithography procedure. Mo/Si-multilayer mirrors were produced by electron beam evaporation in UHV under thermal treatment with an in-situ X-ray controlled thickness in the region of 2d equals 14 nm. The reflectivities measured at normal incidence reached up to 54%. Various surface analysis techniques have been applied in order to characterize and optimize the X-ray mirrors. The multilayers were patterned by reactive ion etching (RIE) with CF(subscript 4), using a photoresist as the etch mask, thus producing X-ray reflection masks. The masks were tested in the synchrotron radiation laboratory of the electron accelerator ELSA at the Physikalisches Institut of Bonn University. A double crystal X-ray monochromator was modified so as to allow about 0.5 cm(superscript 2) of the reflection mask to be illuminated by white synchrotron radiation. The reflected patterns were projected (with an energy of 100 eV) onto the resist (Hoechst AZ PF 514), which was mounted at an average distance of about 7 mm. In the first test-experiments, structure sizes down to 8 micrometers were nicely reproduced over the whole of the exposed area. Smaller structures were distorted by Fresnel-diffraction. The theoretically calculated diffraction images agree very well with the observed images.

X-Ray Study of Variable Gamma-Ray Pulsar PSR J2021+4026

Science.gov (United States)

Wang, H. H.; Takata, J.; Hu, C.-P.; Lin, L. C. C.; Zhao, J.

2018-04-01

PSR J2021+4026 showed a sudden decrease in the gamma-ray emission at the glitch that occurred around 2011 October 16, and a relaxation of the flux to the pre-glitch state at around 2014 December. We report X-ray analysis results of the data observed by XMM-Newton on 2015 December 20 in the post-relaxation state. To examine any change in the X-ray emission, we compare the properties of the pulse profiles and spectra at the low gamma-ray flux state and at the post-relaxation state. The phase-averaged spectra for both states can be well described by a power-law component plus a blackbody component. The former is dominated by unpulsed emission and probably originated from the pulsar wind nebula as reported by Hui et al. The emission property of the blackbody component is consistent with the emission from the polar cap heated by the back-flow bombardment of the high-energy electrons or positrons that were accelerated in the magnetosphere. We found no significant change in the X-ray emission properties between two states. We suggest that the change of the X-ray luminosity is at an order of ∼4%, which is difficult to measure with the current observations. We model the observed X-ray light curve with the heated polar cap emission, and we speculate that the observed large pulsed fraction is owing to asymmetric magnetospheric structure.

Small angle neutron and x-ray scattering studies of self-assembled nano structured materials

International Nuclear Information System (INIS)

Choi, Sung Min

2009-01-01

Full text: Small angle neutron and x-ray scattering are very powerful techniques to investigate nano structured materials. In this presentation, examples of nano structured materials investigated by neutron and x-ray scattering will be presented. Part I: The unique anisotropic physical properties of columnar discotic liquid crystals (DLCs) have attracted considerable interest for their potential applications as electronic devices. For many practical applications, however, it is crucial to obtain uniaxially oriented and highly ordered columnar superstructures of DLC molecules covering macroscopic area. Here, we present a simple and straight-forward approach to fabricate uniaxially oriented and highly ordered columnar superstructures of cobalt octa(n-decylthio) porphyrazine (CoS 1 0), a discotic supra-molecule, in bulk and on substrates [1] over a macroscopic length scale, utilizing an applied magnetic field and the interaction of CoS 1 0 with an OTS-functionalized substrate. The details of the oriented and ordered columnar nano-structures are investigated by SANS and GISAXS. Part II: Self-assembly of one-dimensional (1D) nanoparticles with metallic or semiconducting properties into highly ordered superstructures using various interactions has been of great interest as a route towards materials with new functionalities. Here, we report a new phase diagram of negatively charged 1D nanoparticle (cROD) and cationic liposome (CL) complexes in water which exhibit three different highly ordered phases [2]. Small angle neutron and x-ray scattering measurements show that the cROD-CL complexes exhibit three different highly ordered phases, intercalated lamellar, doubly intercalated lamellar and centered rectangular phases, depending on particle curvature and electrostatic interactions. The new phase diagram can be used to understand and design new highly ordered self-assemblies of 1D nanoparticles in soft matter which provide new functionalities. (author)

X-rays in protoplanetary disks : Their impact on the thermal and chemical structure, a grid of models

NARCIS (Netherlands)

Aresu, G.; Kamp, I.; Meijerink, R.; Woitke, P.; Thi, W. F.; Spaans, M.C.

X-rays impact protoplanetary disks hydrostatic, thermal and chemical structure. The range of efficiency of X-rays is explored using a grid modelling approach: different parameters affects the structure of the disk, this determines different contribution of the X-ray radiation to the chemistry and

X-ray excited optical luminescence, photoluminescence, photostimulated luminescence and x-ray photoemission spectroscopy studies on BaFBr:Eu

CERN Document Server

Subramanian, N; Govinda-Rajan, K; Mohammad-Yousuf; Santanu-Bera; Narasimhan, S V

1997-01-01

The results of x-ray excited optical luminescence (XEOL), photoluminescence (PL), photostimulated luminescence (PSL) and x-ray photoemission spectroscopy (XPS) studies on the x-ray storage phosphor BaFBr:Eu are presented in this paper. Analyses of XEOL, PL and PSL spectra reveal features corresponding to the transitions from 4f sup 6 td sup 1 to 4f sup 7 configurations in different site symmetries of Eu sup 2 sup +. Increasing x-ray dose is seen to lead to a red shift in the maximum of the PL excitation spectrum for the 391 nm emission. The XEOL and XPS spectra do not show any signature of Eu sup 3 sup + in the samples studied by us, directly raising doubts about the model of Takahashi et al in which Eu sup 2 sup + is expected to ionize to Eu sup 3 sup + upon x-ray irradiation and remain stable until photostimulation. XEOL and PSL experiments with simultaneous x-ray irradiation and He - Ne laser excitation as well as those with sequential x-ray irradiation and laser stimulation bring out the competition betwe...

An x-ray detector for time-resolved studies

International Nuclear Information System (INIS)

Rodricks, B.; Brizard, C.; Clarke, R.; Lowe, W.

1992-01-01

The development of ultrahigh-brightness x-ray sources makes time-resolved x-ray studies more and more feasible. Improvements in x-ray optics components are also critical for obtaining the appropriate beam for a particular type of experiment. Moreover, fast parallel detectors will be essential in order to exploit the combination of high intensity x-ray sources and novel optics for time-resolved experiments. A CCD detector with a time resolution of microseconds has been developed at the Advanced Photon Source (APS). This detector is fully programmable using CAMAC electronics and a Micro Vax computer. The techniques of time-resolved x-ray studies, which include scattering, microradiography, microtomography, stroboscopy, etc., can be applied to a range of phenomena (including rapid thermal annealing, surface ordering, crystallization, and the kinetics of phase transition) in order to understand these time-dependent microscopic processes. Some of these applications will be illustrated by recent results performed at synchrotrons. New powerful x-ray sources now under construction offer the opportunity to apply innovative approaches in time-resolved work

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

International Nuclear Information System (INIS)

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

1985-01-01

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

Surface extended x-ray absorption fine structure of low-Z absorbates using fluorescence detection

International Nuclear Information System (INIS)

Stoehr, J.; Kollin, E.B.; Fischer, D.A.; Hastings, J.B.; Zaera, F.; Sette, F.

1985-05-01

Comparison of x-ray fluorescence yield (FY) and electron yield surface extended x-ray absorption fine structure spectra above the S K-edge for c(2 x 2) S on Ni(100) reveals an order of magnitude higher sensitivity of the FY technique. Using FY detection, thiophene (C 4 H 4 S) chemisorption on Ni(100) is studied with S coverages down to 0.08 monolayer. The molecule dissociates at temperatures as low as 100K by interaction with fourfold hollow Ni sites. Blocking of these sites by oxygen leaves the molecule intact

On the polarization mixing of X-rays

International Nuclear Information System (INIS)

Ohkawa, T.; Hashimoto, H.

1984-01-01

Relativistic quantum field theory is applied to discuss the process of interference of white X-rays and the mechanism of rotation of the polarization of X-rays in crystals. A two-photon state is studied theoretically for analyzing the mechanism of the polarization mixing. Diffracted X-ray photons are produced by two successive stages of interaction between incident X-rays and electrons in a crystal. A dispersion relation of diffracted X-rays similar to Laue's dynamic theory is shown by use of the S-matrix. A dynamical structure factor is defined on the base of Dirac's γ-matrix. (author)

In situ synchrotron X-ray studies during metal-organic chemical vapor deposition of semiconductors

Energy Technology Data Exchange (ETDEWEB)

Thompson, Carol [Northern Illinois Univ., DeKalb, IL (United States); Argonne National Lab., Argonne, IL (United States); Highland, Matthew J.; Perret, Edith; Fuoss, Paul H.; Streiffer, Stephen K.; Stephenson, G. Brian [Argonne National Lab., Argonne, IL (United States); Richard, Marie-Ingrid [Universite Paul Cezanne Aix-Marseille, Marseille (France)

2012-07-01

In-situ, time-resolved techniques provide valuable insight into the complex interplay of surface structural and chemical evolution occurring during materials synthesis and processing of semiconductors. Our approach is to observe the evolution of surface structure and morphology at the atomic scale in real-time during metal organic vapor phase deposition (MOCVD) by using grazing incidence x-ray scattering and X-ray fluorescence, coupled with visible light scattering. Our vertical-flow MOCVD chamber is mounted on a 'z-axis' surface diffractometer designed specifically for these studies of the film growth, surface evolution and the interactions within a controlled growth environment. These techniques combine the ability of X-rays to penetrate a complex environment for measurements during growth and processing, with the sensitivity of surface scattering techniques to atomic and nanoscale structure. In this talk, we outline our program and discuss examples from our in-situ and real-time X-ray diffraction and fluorescence studies of InN, GaN, and InGaN growth on GaN(0001).

The structural analysis of zinc borate glass by laboratory EXAFS and X-ray diffraction measurements

International Nuclear Information System (INIS)

Kajinami, Akihiko; Harada, Yasushi; Inoue, Shinsuke; Deki, Shigehito; Umesaki, Norimasa

1999-01-01

The structure of zinc borate glass has been investigated by laboratory EXAFS and X-ray diffraction measurement as preliminary investigations for the detailed study in SPring-8. The zinc borate glass was prepared in the range from 40 to 65 mol% of zinc oxide content. The X-ray diffraction was measured by horizontal θ-θ goniometer with 60 kV and 300 mA output of Mo target. The EXAFS of zinc borate glass was measured by laboratory EXAFS system with 20 kV, 100 mA output of Mo target for the K absorption edge of zinc atom. From the X-ray diffraction and the EXAFS measurements, it is found that the zinc ion is surrounded by four oxygen atoms and formed a tetrahedral structure whose (Zn-O) distance is about 2 A and that the structure is unchanged with the zinc oxide content. The diffraction data show that the neighboring structure of boron atom transforms from BO 4 tetrahedra to BO 3 tetragonal planar structure with increasing of the zinc oxide content. (author)

An X-ray and optical study of the ultracompact X-ray binary A 1246-58

NARCIS (Netherlands)

in 't Zand, J.J.M.; Bassa, C.G.; Jonker, P.G.; Keek, L.; Verbunt, F.W.M.; Méndez, M.; Markwardt, C.B.

2008-01-01

Results are discussed of an X-ray and optical observation campaign of the low-mass X-ray binary A 1246-58 performed with instruments on Satellite per Astronomia X ("BeppoSAX"), the Rossi X-ray Timing Explorer (RXTE), the X-ray Multi-mirror Mission ("XMM-Newton"), the Swift mission, and the Very

Quantitative Analysis of Micro-Structure in Meat Emulsions from Grating-Based Multimodal X-Ray Tomography

DEFF Research Database (Denmark)

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

2013-01-01

Using novel X-ray techniques, based on grating-interferometry, new imaging modalities can be obtained simultaneously with absorption computed tomography (CT). These modalities, called phase contrast and dark field imaging, measure the electron density and the diffusion length of the sample....... Enhanced contrast capabilities of this X-ray technique makes studies on materials with similar attenuation properties possible. In this paper the focus is set on processing grating-based X-ray tomograms of meat emulsions to quantitatively measure micro-structural changes due to heat treatment. The emulsion...... samples were imaged both in a raw and cooked state. Additionally, different fat types were used in the emulsions in order to compare micro-structural differences when either pork fat or sunflower oil was used. From the reconstructed tomograms the different ingredients in the emulsions were segmented using...

Single crystal X-ray structure of the artists' pigment zinc yellow

Science.gov (United States)

Simonsen, Kim Pilkjær; Christiansen, Marie Bitsch; Vinum, Morten Gotthold; Sanyova, Jana; Bendix, Jesper

2017-08-01

The artists' pigment zinc yellow is in general described as a complex potassium zinc chromate with the empirical formula 4ZnCrO4·K2O·3H2O. Even though the pigment has been in use since the second half of the 19th century also in large-scale industrial applications, the exact structure had hitherto been unknown. In this work, zinc yellow was synthesised by precipitation from an aqueous solution of zinc nitrate and potassium chromate under both neutral and basic conditions, and the products were compared with the pigment used in industrial paints. Analyses by Raman microscopy (MRS), scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS), attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and powder X-ray diffraction (PXRD), showed that the synthesised products and the industrial pigment were identical. Single-crystal X-ray crystallography determined the structure of zinc yellow as KZn2(CrO4)2(H2O)(OH) or as KZn2(CrO4)2(H3O2) emphasizing the μ-H3O2- moiety. Notably, the zinc yellow is isostructural to the recently structurally characterized cadmium analog and both belong to the natrochalcite structure type.

X-ray spectroscopic study of high-temperature plasmas by curved crystal spectrometer

International Nuclear Information System (INIS)

Morita, Shigeru.

1983-07-01

Extensive studies have been carried out on the structure of X-ray spectra from the highly stripped ions of first transition elements and their behavior in high temperature plasma, using a high resolution crystal spectrometer. Calculation was made on the design and the use of a curved crystal spectrometer for plasma diagnostics. A Johann type crystal spectrometer for measuring X-ray lines was constructed on the basis of the calculation. The characteristics of curved crystals of LiF, Ge and quartz used for the measurement of Kα lines from first transition elements were investigated. Vacuum sparks have been formed for producing high temperature plasma which emits X-ray lines from highly stripped ions. Two different structures of vacuum spark plasma were shown, that is, thermalized point plasma and extended plasma associated with non-thermal electrons. The X-ray lines from the extended plasma, those associated with the K shell from the point plasma and the Kα lines of Ti through Zn from the point plasma have been observed. (Kako, I.)

X-ray structure determination and deuteration of nattokinase

Energy Technology Data Exchange (ETDEWEB)

Yanagisawa, Yasuhide [Chiba Institute of Science, 15-8 Shiomi-cho, Cho-shi, Chiba 288-025 (Japan); Chatake, Toshiyuki [Kyoto University, Asashironishi 2, Kumatori, Osaka 590-0494 (Japan); Naito, Sawa; Ohsugi, Tadanori; Yatagai, Chieko; Sumi, Hiroyuki [Kurashiki University of Science and the Arts, 2640 Nishinoura, Tsurajima-cho, Kurashiki, Okayama 712-8505 (Japan); Kawaguchi, Akio [Kyoto University, Asashironishi 2, Kumatori, Osaka 590-0494 (Japan); Chiba-Kamosida, Kaori [Nippon Advanced Technology Co. Ltd, J-PARC, 2-4 Shirane Shirakata, Tokai, Ibaraki 319-1195 (Japan); Ogawa, Megumi; Adachi, Tatsumi [Chiba Institute of Science, 15-8 Shiomi-cho, Cho-shi, Chiba 288-025 (Japan); Morimoto, Yukio [Kyoto University, Asashironishi 2, Kumatori, Osaka 590-0494 (Japan)

2013-11-01

X-ray structure determination and deuteration of nattokinase were performed to facilitate neutron crystallographic analysis. Nattokinase (NK) is a strong fibrinolytic enzyme, which is produced in abundance by Bacillus subtilis natto. Although NK is a member of the subtilisin family, it displays different substrate specificity when compared with other subtilisins. The results of molecular simulations predict that hydrogen arrangements around Ser221 at the active site probably account for the substrate specificity of NK. Therefore, neutron crystallographic analysis should provide valuable information that reveals the enzymatic mechanism of NK. In this report, the X-ray structure of the non-hydrogen form of undeuterated NK was determined, and the preparation of deuterated NK was successfully achieved. The non-hydrogen NK structure was determined at 1.74 Å resolution. The three-dimensional structures of NK and subtilisin E from Bacillus subtilis DB104 are near identical. Deuteration of NK was carried out by cultivating Bacillus subtilis natto in deuterated medium. The D{sub 2}O resistant strain of Bacillus subtilis natto was obtained by successive cultivation rounds, in which the concentration of D{sub 2}O in the medium was gradually increased. NK was purified from the culture medium and its activity was confirmed by the fibrin plate method. The results lay the framework for neutron protein crystallography analysis.

Noninvasive 3D Structural Analysis of Arthropod by Synchrotron X-Ray Phase Contrast Tomography

International Nuclear Information System (INIS)

Yao, S.; Zong, Y.; Fan, J.; Sun, Z.; Jiang, H.

2015-01-01

X-ray imaging techniques significantly advanced our understanding of materials and biology, among which phase contrast X-ray microscopy has obvious advantages in imaging biological specimens which have low contrast by conventional absorption contrast microscopy. In this paper, three-dimensional microstructure of arthropod with high contrast has been demonstrated by synchrotron X-ray in-line phase contrast tomography. The external morphology and internal structures of an earthworm were analyzed based upon tomographic reconstructions with and without phase retrieval. We also identified and characterized various fine structural details such as the musculature system, the digestive system, the nervous system, and the circulatory system. This work exhibited the high efficiency, high precision, and wide potential applications of synchrotron X-ray phase contrast tomography in nondestructive investigation of low-density materials and biology.

X-ray scattering and electron cryomicroscopy study on the effect of carotenoid biosynthesis to the structure of Chlorobium tepidum chlorosomes

DEFF Research Database (Denmark)

Ikonen, T P; Li, H; Psencík, J

2007-01-01

effect on chlorosome biogenesis and structure. The results indicate that carotenoids with a sufficiently long conjugated system are important for the biogenesis of the chlorosome baseplate. Defects in the baseplate structure affected the shape of the chlorosomes and were correlated with differences...... studied by means of x-ray scattering and electron cryomicroscopy. The chlorosomes from each mutant strain exhibited a lamellar arrangement of the bacteriochlorophyll c aggregates, which are the major constituents of the chlorosome interior. However, the carotenoid content and composition had a pronounced...... in the arrangement of lamellae and spacing between the lamellar planes of bacteriochlorophyll aggregates. In addition, comparisons among the various mutants enabled refinement of the assignments of the x-ray scattering peaks. While the main scattering peaks come from the lamellar structure of bacteriochlorophyll c...

X-ray television area detectors for macromolecular structural studies with synchrotron radiation sources

International Nuclear Information System (INIS)

Arndt, U.W.; Gilmore, D.J.

1978-01-01

Two-dimensional X-ray diffraction patterns may be recorded quantitatively by means of X-ray-to-electron converters which are scanned in a television-type raster scan. Detectors of this type are capable of operating over the whole range of counting rates from very low to higher than those with which other types of converters can deal. The component parts of an X-ray television detector are examined and the limits to the precision of the measurements are analysed. (Auth.)

Soft x-ray lasers

International Nuclear Information System (INIS)

Matthews, D.L.; Rosen, M.D.

1988-01-01

One of the elusive dreams of laser physicists has been the development of an x-ray laser. After 25 years of waiting, the x-ray laser has at last entered the scientific scene, although those now in operation are still laboratory prototypes. They produce soft x rays down to about five nanometers. X-ray lasers retain the usual characteristics of their optical counterparts: a very tight beam, spatial and temporal coherence, and extreme brightness. Present x-ray lasers are nearly 100 times brighter that the next most powerful x-ray source in the world: the electron synchrotron. Although Lawrence Livermore National Laboratory (LLNL) is widely known for its hard-x-ray laser program which has potential applications in the Strategic Defense Initiative, the soft x-ray lasers have no direct military applications. These lasers, and the scientific tools that result from their development, may one day have a place in the design and diagnosis of both laser fusion and hard x-ray lasers. The soft x-ray lasers now in operation at the LLNL have shown great promise but are still in the primitive state. Once x-ray lasers become reliable, efficient, and economical, they will have several important applications. Chief among them might be the creation of holograms of microscopic biological structures too small to be investigated with visible light. 5 figs

Solution spectroelectrochemical cell for in situ X-ray absorption fine structure

International Nuclear Information System (INIS)

Antonio, M.R.; Soderholm, L.

1995-01-01

A purpose-built spectroelectrochemical cell for in situ fluorescence XAFS (X-ray Absorption Fine Structure) measurements of bulk solution species during constant-potential electrolysis is described. The cell performance was demonstrated by the collection of europium L 3 -edge XANES (X-ray Absorption Near Edge Structure) throughout the course of electrolysis of an aqueous solution of EuCl 3 ·6H 2 O in 1 M H 2 SO 4 . The europium L 3 -edge resonances reported here for the Eu III and Eu II ions demonstrate that their 2p 3/2 → 5d electronic transition probabilities are not the same

(an)isotropy of the X-ray sky

International Nuclear Information System (INIS)

Shafer, R.A.; Fabian, A.C.

1983-01-01

An assessment is made of the extent to which the study of the isotropy of the X-ray sky has contributed to the present understanding of the structure of the universe at moderate redshifts. It is, of course, the anisotropic character of the sky flux that is valuable in this context. Although it is not currently possible to undertake measurements with the precision and small solid angles that are typically achieved in the microwave range, the comparatively crude limits from the X-ray fluctuations place limits on the largest scale structure of the universe. After indicating the nature of measurements made, with the HEAO 1 A-2 experiment, of the X-ray sky and its anisotropies, it is shown how these place limits on the origin of the X-ray sky and on any large scale structure of the universe. 40 references

Surface and interface strains studied by x-ray diffraction

International Nuclear Information System (INIS)

Akimoto, Koichi; Emoto, Takashi; Ichimiya, Ayahiko

1998-01-01

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

X-ray absorption spectroscopy using a self-seeded soft X-ray free-electron laser

Energy Technology Data Exchange (ETDEWEB)

Kroll, Thomas; Kern, Jan; Kubin, Markus; Ratner, Daniel; Gul, Sheraz; Fuller, Franklin D.; Löchel, Heike; Krzywinski, Jacek; Lutman, Alberto; Ding, Yuantao; Dakovski, Georgi L.; Moeller, Stefan; Turner, Joshua J.; Alonso-Mori, Roberto; Nordlund, Dennis L.; Rehanek, Jens; Weniger, Christian; Firsov, Alexander; Brzhezinskaya, Maria; Chatterjee, Ruchira; Lassalle-Kaiser, Benedikt; Sierra, Raymond G.; Laksmono, Hartawan; Hill, Ethan; Borovik, Andrew; Erko, Alexei; Föhlisch, Alexander; Mitzner, Rolf; Yachandra, Vittal K.; Yano, Junko; Wernet, Philippe; Bergmann, Uwe

2016-01-01

© 2016 Optical Society of America. X-ray free electron lasers (XFELs) enable unprecedented new ways to study the electronic structure and dynamics of transition metal systems. L-edge absorption spectroscopy is a powerful technique for such studies and the feasibility of this method at XFELs for solutions and solids has been demonstrated. However, the required x-ray bandwidth is an order of magnitude narrower than that of self-amplified spontaneous emission (SASE), and additional monochromatization is needed. Here we compare L-edge x-ray absorption spectroscopy (XAS) of a prototypical transition metal system based on monochromatizing the SASE radiation of the linac coherent light source (LCLS) with a new technique based on self-seeding of LCLS. We demonstrate how L-edge XAS can be performed using the self-seeding scheme without the need of an additional beam line monochromator. We show how the spectral shape and pulse energy depend on the undulator setup and how this affects the x-ray spectroscopy measurements.

The STAR-X X-Ray Telescope Assembly (XTA)

Science.gov (United States)

McClelland, Ryan S.; Bautz, Mark W.; Bonafede, Joseph A.; Miller, Eric D.; Saha, Timo T.; Solly, Peter M.; Zhang, William W.

2017-01-01

The Survey and Time-domain Astrophysical Research eXplorer (STAR-X) science goals are to discover what powers the most violent explosions in the Universe, understand how black holes grow across cosmic time and mass scale, and measure how structure formation heats the majority of baryons in the Universe. To achieve these goals, STAR-X requires a powerful X-ray telescope with a large field of view, large collecting area, and excellent point spread function. The STAR-X instrument, the X-Ray Telescope Assembly (XTA), meets these requirements using a powerful X-ray mirror technology based on precision-polished single crystal silicon and a mature CCD detector technology. The XTA is composed of three major subsystems: an X-ray Mirror Assembly (MA) of high resolution, lightweight mirror segments fabricated out of single crystal silicon; a Focal Plane Assembly (FPA) made of back-illuminated CCD's capable of detecting X-rays with excellent quantum efficiency; and a composite Telescope Tube that structurally links the MA and FPA. The MA consists of 5,972 silicon mirror segments mounted into five subassemblies called meta-shells. A meta-shell is constructed from an annular central structural shell covered with interlocking layers of mirror segments. This paper describes the requirements, design, and analysis of the XTA subsystems with particular focus on the MA.

The X-ray properties of normal galaxies

Science.gov (United States)

Fabbiano, G.

1986-01-01

X-ray observations with the Einstein satellite have shown that normal galaxies of all morphological types are spatially extended sources of X-ray emission with luminosities in the range of L(x) of about 10 to the 39th to 10 to the 41st erg/s. Although this is only a small fraction of the total energy output of a normal galaxy, X-ray observations are uniquely suited to study phenomena that are otherwise elusive. In X-rays one can study directly the end products of stellar evolution (SNRs and compact remnants). X-ray observations have led to the discovery of gaseous outflows linked to starburst nuclear activity in spiral galaxies and to the detection of a hot interstellar medium in early-type galaxies. Through X-ray observations it is possible to set constraints on structural galaxy parameters, such as the mass of elliptical galaxies, and perhaps get new insight on the origin of cosmic rays and the properties of the magnetic fields of spiral galaxies.

Dark-field X-ray microscopy for multiscale structural characterization

DEFF Research Database (Denmark)

Simons, Hugh; King, A.; Ludwig, W.

2015-01-01

of the interactions between crystalline elements is a key step towards the formulation and validation of multiscale models that account for the entire heterogeneity of a material. Furthermore, dark-field X-ray microscopy is well suited to applied topics, where the structural evolution of internal nanoscale elements...

Characteristics of a molybdenum X-pinch X-ray source as a probe source for X-ray diffraction studies

International Nuclear Information System (INIS)

Zucchini, F.; Chauvin, C.; Combes, P.; Sol, D.; Loyen, A.; Roques, B.; Grunenwald, J.; Bland, S. N.

2015-01-01

X-ray emission from a molybdenum X-pinch has been investigated as a potential probe for the high pressure states made in dynamic compression experiments. Studies were performed on a novel 300 kA, 400 ns generator which coupled the load directly to a low inductance capacitor and switch combination. The X-pinch load consisted of 4 crossed molybdenum wires of 13 μm diameter, crossed at an angle of 62°. The load height was 10 mm. An initial x-ray burst generated at the wire crossing point, radiated in the soft x-ray range (hυ < 10 keV). This was followed, 2–5 ns later, by at least one harder x-ray burst (hυ > 10 keV) whose power ranged from 1 to 7 MW. Time integrated spectral measurements showed that the harder bursts were dominated by K-alpha emission; though, a lower level, wide band continuum up to at least 30 keV was also present. Initial tests demonstrated that the source was capable of driving Laue diffraction experiments, probing uncompressed samples of LiF and aluminium

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-28

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

Quantum effets in nonresonant X-ray scattering

Energy Technology Data Exchange (ETDEWEB)

Slowik, Jan Malte

2015-11-15

Due to their versatile properties, X rays are a unique tool to investigate the structure and dynamics of matter. X-ray scattering is the fundamental principle of many imaging techniques. Examples are X-ray crystallography, which recently celebrated one hundred years and is currently the leading method in structure determination of proteins, as well as X-ray phase contrast imaging (PCI), which is an imaging technique with countless applications in biology, medicine, etc. The technological development of X-ray free electron lasers (XFEL) has brought X-ray imaging at the edge of a new scientific revolution. XFELs offer ultrashort X-ray pulses with unprecedented high X-ray fluence and excellent spatial coherence properties. These properties make them an outstanding radiation source for X-ray scattering experiments, providing ultrafast temporal resolution as well as atomic spatial resolution. However, the radiation-matter interaction in XFEL experiments also advances into a novel regime. This demands a sound theoretical fundament to describe and explore the new experimental possibilities. This dissertation is dedicated to the theoretical study of nonresonant X-ray scattering. As the first topic, I consider the near-field imaging by propagation based X-ray phase contrast imaging (PCI). I devise a novel theory of PCI, in which radiation and matter are quantized. Remarkably, the crucial interference term automatically excludes contributions from inelastic scattering. This explains the success of the classical description thus far. The second topic of the thesis is the X-ray imaging of coherent electronic motion, where quantum effects become particularly apparent. The electron density of coherent electronic wave packets - important in charge transfer and bond breaking - varies in time, typically on femto- or attosecond time scales. In the near future, XFELs are envisaged to provide attosecond X-ray pulses, opening the possibility for time-resolved ultrafast X-ray scattering

Quantum effets in nonresonant X-ray scattering

International Nuclear Information System (INIS)

Slowik, Jan Malte

2015-11-01

Due to their versatile properties, X rays are a unique tool to investigate the structure and dynamics of matter. X-ray scattering is the fundamental principle of many imaging techniques. Examples are X-ray crystallography, which recently celebrated one hundred years and is currently the leading method in structure determination of proteins, as well as X-ray phase contrast imaging (PCI), which is an imaging technique with countless applications in biology, medicine, etc. The technological development of X-ray free electron lasers (XFEL) has brought X-ray imaging at the edge of a new scientific revolution. XFELs offer ultrashort X-ray pulses with unprecedented high X-ray fluence and excellent spatial coherence properties. These properties make them an outstanding radiation source for X-ray scattering experiments, providing ultrafast temporal resolution as well as atomic spatial resolution. However, the radiation-matter interaction in XFEL experiments also advances into a novel regime. This demands a sound theoretical fundament to describe and explore the new experimental possibilities. This dissertation is dedicated to the theoretical study of nonresonant X-ray scattering. As the first topic, I consider the near-field imaging by propagation based X-ray phase contrast imaging (PCI). I devise a novel theory of PCI, in which radiation and matter are quantized. Remarkably, the crucial interference term automatically excludes contributions from inelastic scattering. This explains the success of the classical description thus far. The second topic of the thesis is the X-ray imaging of coherent electronic motion, where quantum effects become particularly apparent. The electron density of coherent electronic wave packets - important in charge transfer and bond breaking - varies in time, typically on femto- or attosecond time scales. In the near future, XFELs are envisaged to provide attosecond X-ray pulses, opening the possibility for time-resolved ultrafast X-ray scattering

Crystallization and preliminary X-ray structural studies of a Melan-A pMHC–TCR complex

International Nuclear Information System (INIS)

Yuan, Fang; Georgiou, Theonie; Hillon, Theresa; Gostick, Emma; Price, David A.; Sewell, Andrew K.; Moysey, Ruth; Gavarret, Jessie; Vuidepot, Annelise; Sami, Malkit; Bell, John I.; Gao, George F.; Rizkallah, Pierre J.; Jakobsen, Bent K.

2007-01-01

A preliminary X-ray crystal structural study of a soluble cognate T-cell receptor (TCR) in complex with a pMHC presenting the Melan-A peptide (ELAGIGILTV) is reported. The TCR and pMHC were refolded, purified and mixed together to form complexes, which were crystallized using the sitting-drop vapour-diffusion method. Single TCR–pMHC complex crystals were cryocooled and used for data collection. Melanocytes are specialized pigmented cells that are found in all healthy skin tissue. In certain individuals, diseased melanocytes can form malignant tumours, melanomas, which cause the majority of skin-cancer-related deaths. The melanoma-associated antigenic peptides are presented on cell surfaces via the class I major histocompatibility complex (MHC). Among the melanoma-associated antigens, the melanoma self-antigen A/melanoma antigen recognized by T cells (Melan-A/MART-1) has attracted attention because of its wide expression in primary and metastatic melanomas. Here, a preliminary X-ray crystal structural study of a soluble cognate T-cell receptor (TCR) in complex with a pMHC presenting the Melan-A peptide (ELAGIGILTV) is reported. The TCR and pMHC were refolded, purified and mixed together to form complexes, which were crystallized using the sitting-drop vapour-diffusion method. Single TCR–pMHC complex crystals were cryocooled and used for data collection. Diffraction data showed that these crystals belonged to space group P4 1 /P4 3 , with unit-cell parameters a = b = 120.4, c = 81.6 Å. A complete data set was collected to 3.1 Å and the structure is currently being analysed

Structural investigations on some cadmium-borotellurate glasses using ultrasonic, FT-IR and X-ray techniques

Energy Technology Data Exchange (ETDEWEB)

Gaafar, M.S., E-mail: m.gaafar@mu.edu.sa [Physics Department, College of Sciences, Majmaah University (Saudi Arabia); Ultrasonic Laboratory, National Institute for Standards, Tersa Str., P.O. Box 136, El-Haram, El-Giza 12211 (Egypt); Shaarany, I. [Physics Department, College of Sciences, Majmaah University (Saudi Arabia); Physics Department, Faculty of Science, Suez Canal University, Ismailia (Egypt); Alharbi, T. [Physics Department, College of Sciences, Majmaah University (Saudi Arabia)

2014-12-15

Highlights: • 50B{sub 2}O{sub 3}–(50 – x)TeO{sub 2}–xCdO glass system has been prepared by melt quenching technique. • Both sound velocities decrease with increase in x. • Studies on the structure of these glasses, have revealed that Cd{sup 2+} ions are incorporated in the form of CdO{sub 6}. - Abstract: Glasses in the system 50B{sub 2}O{sub 3}–(50 − x)TeO{sub 2}–xCdO with different CdO contents (0, 10, 20, 30, 40 and 50 mol%), have been prepared by melt quenching technique. Elastic properties, X-ray and FT-IR spectroscopic studies have been employed to study the role of CdO on the structure of the investigated glass system. Elastic properties and Debye temperature have been investigated using sound wave velocity measurements at 4 MHz at room temperature. The results showed that the density increase and the molar volume decrease while both sound velocities decrease with increase in x. Elastic properties, FT-IR and X-ray diffraction studies on the network structure of these glass structures, have revealed that Cd{sup 2+} ions are incorporated in the form of CdO{sub 6}, decreasing the molar volume and compensate for the decrease in the average coordination number of tellurium atoms which was the reason for the increase in elastic moduli.

X-ray electromagnetic application technology

International Nuclear Information System (INIS)

2011-01-01

The investigating committee aimed at research on electromagnetic fields in functional devices and X-ray fibers for efficient coherent X-ray generation and their material science, high-precision manufacturing, particularly for X-ray electromagnetic application technology from January 2006 to December 2008. In this report, we describe our research results, in particular, on the topics of synchrotron radiation and free-electron laser, Saga Synchrotron Project, X-ray waveguides and waveguide-based lens-less hard-X-ray imaging, X-ray nanofocusing for capillaries and zone plates, dispersion characteristics in photonics crystal consisting of periodic atoms for nanometer waveguides, electromagnetic characteristics of grid structures for scattering fields of nano-meter electromagnetic waves and X-rays, FDTD parallel computing of fundamental scattering and attenuation characteristics of X-ray for medical imaging diagnosis, orthogonal relations of electromagnetic fields including evanescent field in dispersive medium. (author)

Experimental studies on pulse soft X-ray generator

International Nuclear Information System (INIS)

Li Chengrong; Yang Qinchi; Luo Chengmu; Han Min

1990-01-01

Emission sources of soft x rays (2 keV < hv < 6 keV) from hot plasmas have been studied in a small gas-puff Z-pinch. The emission sources are a group of uncontinuous hot spots. The output of soft x rays from the hot spots have been measured and the effect of the initial gas density on the yield of soft x rays has been investigated

Modeling Radiation Effects of Ultrasoft X Rays on the Basis of Amorphous Track Structure.

Science.gov (United States)

Buch, Tamara; Scifoni, Emanuele; Krämer, Michael; Durante, Marco; Scholz, Michael; Friedrich, Thomas

2018-01-01

There is experimental evidence that ultrasoft X rays (0.1-5 keV) show a higher biological effectiveness than high-energy photons. Similar to high-LET radiation, this is attributed to a rather localized dose distribution associated with a considerably smaller range of secondary electrons, which results in an increasing yield of double-strand breaks (DSBs) and potentially more complex lesions. We previously reported on the application of the Giant LOop Binary LEsion (GLOBLE) model to ultrasoft X rays, in which experimental values of the relative biological effectiveness (RBE) for DSB induction were used to show that this increasing DSB yield was sufficient to explain the enhanced effectiveness in the cell inactivation potential of ultrasoft X rays. Complementary to GLOBLE, we report here on a modeling approach to predict the increased DSB yield of ultrasoft X rays on the basis of amorphous track structure formed by secondary electrons, which was derived from Monte Carlo track structure simulations. This procedure is associated with increased production of single-strand break (SSB) clusters, which are caused by the highly localized energy deposition pattern induced by low-energy photons. From this, the RBE of ultrasoft X rays can be determined and compared to experimental data, showing that the inhomogeneity of the energy deposition pattern represents the key variable to describe the increased biological effectiveness of ultrasoft X rays. Thus, this work demonstrates an extended applicability of the amorphous track structure concept and tests its limits with respect to its predictive power. The employed model mechanism offers a possible explanation for how the cellular response to ultrasoft X rays is directly linked to the energy deposition properties on the nanometric scale.

Anomalous scattering, transport, and spatial distribution of X-ray fluorescence at the exit of polycapillary structures

Energy Technology Data Exchange (ETDEWEB)

Mazuritskiy, M. I., E-mail: mazurmik@gmail.com; Lerer, A. M.; Makhno, P. V. [Southern Federal University (Russian Federation)

2016-12-15

The angular distribution of the X-ray intensity at the exit of microchannel plates at grazing incidence of monochromatic radiation on the walls of microcapillaries has been investigated. The angles and energies of the primary radiation quanta at which the synchrotron beam excites X-ray fluorescence propagating inside polycapillary structures have been determined. The angular dependences of the intensity distribution of X-rays transmitted through the microcapillaries have been studied theoretically and experimentally for energies corresponding to the region of anomalous dispersion near the L{sub 2,3} absorption edges of silicon. The propagation of waves in hollow polycapillary waveguides, the excitation of X-ray fluorescence, and the X-ray diffraction at the exit of microchannel plates have been modeled mathematically. The mathematical model takes into account the presence of a transition layer on the microchannel surface.

Feasibility study on X-ray source with pinhole imaging method

International Nuclear Information System (INIS)

Qiu Rui; Li Junli

2007-01-01

In order to verify the feasibility of study on X-ray source with pinhole imaging method, and optimize the design of X-ray pinhole imaging system, an X-ray pinhole imaging equipment was set up. The change of image due to the change of the position and intensity of X-ray source was estimated with mathematical method and validated with experiment. The results show that the change of the spot position and gray of the spot is linearly related with the change of the position and intensity of X-ray source, so it is feasible to study X-ray source with pinhole imaging method in this application. The results provide some references for the design of X-ray pinhole imaging system. (authors)

Techniques for synchronization of X-Ray pulses to the pump laser in an ultrafast X-Ray facility

International Nuclear Information System (INIS)

Corlett, J.N.; Doolittle, L.; Schoenlein, R.; Staples, J.; Wilcox, R.; Zholents, A.

2003-01-01

Accurate timing of ultrafast x-ray probe pulses emitted from a synchrotron radiation source with respect to the signal initiating a process in the sample under study is critical for the investigation of structural dynamics in the femtosecond regime. We describe schemes for achieving accurate timing of femtosecond x-ray synchrotron radiation pulses relative to a pump laser, where x-rays pulses of <100 fs duration are generated from the proposed LUX source based on a recirculating superconducting linac. We present a description of the timing signal generation and distribution systems to minimize timing jitter of the x-rays relative to the experimental lasers

X-ray fluorescence holography

CERN Document Server

Hayashi, K; Takahashi, Y

2003-01-01

X-ray fluorescence holography (XFH) is a new structural analysis method of determining a 3D atomic arrangement around fluorescing atoms. We developed an XFH apparatus using advanced X-ray techniques and succeeded in obtaining high-quality hologram data. Furthermore, we introduced applications to the structural analysis of a thin film and the environment around dopants and, discussed the quantitative analysis of local lattice distortion. (author)

Si K EDGE STRUCTURE AND VARIABILITY IN GALACTIC X-RAY BINARIES

Energy Technology Data Exchange (ETDEWEB)

Schulz, Norbert S.; Corrales, Lia; Canizares, Claude R. [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

2016-08-10

We survey the Si K edge structure in various absorbed Galactic low-mass X-ray binaries (LMXBs) to study states of silicon in the inter- and circum-stellar medium. The bulk of these LMXBs lie toward the Galactic bulge region and all have column densities above 10{sup 22} cm{sup −2}. The observations were performed using the Chandra High Energy Transmission Grating Spectrometer. The Si K edge in all sources appears at an energy value of 1844 ± 0.001 eV. The edge exhibits significant substructure that can be described by a near edge absorption feature at 1849 ± 0.002 eV and a far edge absorption feature at 1865 ± 0.002 eV. Both of these absorption features appear variable with equivalent widths up to several mÅ. We can describe the edge structure using several components: multiple edge functions, near edge absorption excesses from silicates in dust form, signatures from X-ray scattering optical depths, and a variable warm absorber from ionized atomic silicon. The measured optical depths of the edges indicate much higher values than expected from atomic silicon cross sections and interstellar medium abundances, and they appear consistent with predictions from silicate X-ray absorption and scattering. A comparison with models also indicates a preference for larger dust grain sizes. In many cases, we identify Si xiii resonance absorption and determine ionization parameters between log ξ = 1.8 and 2.8 and turbulent velocities between 300 and 1000 km s{sup −1}. This places the warm absorber in close vicinity of the X-ray binaries. In some data, we observe a weak edge at 1.840 keV, potentially from a lesser contribution of neutral atomic silicon.

A study of the reactivity of elemental Cr/Se/Te thin multilayers using X-ray reflectometry, in situ X-ray diffraction and X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Behrens, Malte; Tomforde, Jan; May, Enno; Kiebach, Ragnar; Bensch, Wolfgang; Haeussler, Dietrich; Jaeger, Wolfgang

2006-01-01

The reactivity of [Cr/Se/Te] multilayers under annealing was investigated using X-ray reflectometry, in situ X-ray diffraction, X-ray absorption fine structure (XAFS) measurements and transmission electron microscopy. For all samples, interdiffusion was complete at temperatures between 100 and 300 deg. C, depending on the repeating tri-layer thickness. A crystalline phase nucleated approximately 20 deg. C above the temperature where interdiffusion was finished. The first crystalline phase in a binary Cr/Te sample was layered CrTe 3 nucleating at 230 deg. C. In ternary samples (Se:Te=0.6-1.2), the low-temperature nucleation of such a layered CrQ 3 (Q=Se, Te) phase is suppressed and instead the phase Cr 2 Q 3 nucleates first. Interestingly, this phase decomposes around 500 deg. C into layered CrQ 3 . In contrast, binary Cr/Se samples form stable amorphous alloys after interdiffusion and Cr 3 Se 4 nucleates around 500 deg. C as the only crystalline phase. Evaluation of the XAFS data of annealed samples yield Se-Cr distances of 2.568(1) and 2.552(1) A for Cr 2 Q 3 and CrQ 3 , respectively. In the latter sample, higher coordination shells around Se are seen accounting for the Se-Te contacts in the structure. - Graphical abstract: The first step of the reaction of elemental Cr/Te/Se-multilayers is the interdiffusion of the elements as evidenced by the decay of the modulation peaks in the low-angle region of the X-ray diffraction patterns. The subsequent growth of Bragg peaks at higher scattering angles indicates crystallization of chromium chalcogenide Cr 2 Te 3- x Se x

Comparative study of radiation dose between digital panoramic X-ray unit and general panoramic X-ray unit

International Nuclear Information System (INIS)

Li Qingshan; Duan Tao; Wang Xiaoyun; Zhao Li; Dong Jian; Wei Lei

2010-01-01

Objective: To compare the actual dose of patients who receive the same medical practice by either digital panoramic X-ray unit and general panoramic X-ray unit and give evidence for better selection of oral X-ray examination method. Methods: Round sheet lithium fluoride (LiF) thermoluminescent dosimeters (TLD) were used. The experiment was divided into natural background contrast group, general panoramic X-ray children group, general panoramic X-ray adults group, digital panoramic X-ray children group and digital panoramic X-ray adults group. The dosimeter of natural background radiation was placed at the office of the doctor, the dosimeters of general panoramic X-ray children group and general panoramic X-ray adults group were irradiated by different conditions according to the clinical application of panoramic X-ray to children and adults, the dosimeters of digital panoramic X-ray children group and digital panoramic X-ray adults group were irradiated by different conditions according to the clinical application of digital panoramic X-ray to children and adults. The thermoluminescent dosimeter was used to count and calculate the exposure doses in various groups. Results: The dose of children exposed in general panoramic X-ray unit was 1.28 times of that in digital panoramic X-ray unit, there was significant difference (t=6.904, P<0.01). The dose of adults exposed in general panoramic X-ray unit was 1.55 times of that in the digital panoramic X-ray unit, there also was significant difference (t=-11.514. P< 0.01). Conclusion: The digital panoramic X-ray unit can reduce the dose of patients, so the digital panoramic X-ray unit should be used as far as possible. (authors)

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

International Nuclear Information System (INIS)

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

2013-01-01

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

Non-destructive X-ray examination of weft knitted wire structures

Science.gov (United States)

Obermann, M.; Ellouz, M.; Aumann, S.; Martens, Y.; Bartelt, P.; Klöcker, M.; Kordisch, T.; Ehrmann, A.; Weber, M. O.

2016-07-01

Conductive yarns or wires are often integrated in smart textiles to enable data or energy transmission. In woven fabrics, these conductive parts are fixed at defined positions and thus protected from external loads. Knitted fabrics, however, have relatively loose structures, resulting in higher impacts of possible mechanical forces on the individual yarns. Hence, metallic wires with smaller diameters in particular are prone to break when integrated in knitted fabrics. In a recent project, wires of various materials including copper, silver and nickel with diameters varying between 0.05 mm and 0.23 mm were knitted in combination with textile yarns. Hand flat knitting machines of appropriate gauges were used to produce different structures. On these samples, non-destructive examinations, using an industrial X-ray system Seifert x|cube (225 kV) equipped with a minifocus X-ray tube, were carried out, directly after knitting as well as after different mechanical treatments (tensile, burst, and washing tests). In this way, structural changes of the stitch geometry could be visualized before failure. In this paper, the loop geometries in the knitted fabrics are depicted depending on knitted structures, wire properties and the applied mechanical load. Consequently, it is shown which metallic wires and yarns are most suitable to be integrated into knitted smart textiles.

Center for X-Ray Optics, 1986

International Nuclear Information System (INIS)

1987-07-01

The Center for X-Ray Optics has made substantial progress during the past year on the development of very high resolution x-ray technologies, the generation of coherent radiation at x-ray wavelengths, and, based on these new developments, had embarked on several scientific investigations that would not otherwise have been possible. The investigations covered in this report are topics on x-ray sources, x-ray imaging and applications, soft x-ray spectroscopy, synchrotron radiation, advanced light source and magnet structures for undulators and wigglers

X-ray refractometer

International Nuclear Information System (INIS)

Tur'yanskij, A.G.; Pirshin, I.V.

2001-01-01

Paper introduces a new circuit of X-ray refractometer to study angular and spectral features of refracted radiation within hard X-ray range. Refractometer incorporates two goniometers, two crystal-analyzers and three radiation detectors. The maximum distance between radiation source focal point and a receiving slit of the second goniometer is equal to 1.4 m. For the first time one obtained refraction patterns of fine-film specimens including C/Si stressed structure. Paper describes a new technique of refractometry via specimen oscillation at fixed position of a detecting device. Paper presents the measurement results of oscillation refraction patterns for specimens of melted quartz and ZnSe single crystal [ru

Ultrasmall-angle X-ray scattering analysis of photonic crystal structure

International Nuclear Information System (INIS)

Abramova, V. V.; Sinitskii, A. S.; Grigor'eva, N. A.; Grigor'ev, S. V.; Belov, D. V.; Petukhov, A. V.; Mistonov, A. A.; Vasil'eva, A. V.; Tret'yakov, Yu. D.

2009-01-01

The results of an ultrasmall-angle X-ray scattering study of iron(III) oxide inverse opal thin films are presented. The photonic crystals examined are shown to have fcc structure with amount of stacking faults varying among the samples. The method used in this study makes it possible to easily distinguish between samples with predominantly twinned fcc structure and nearly perfect fcc stacking. The difference observed between samples fabricated under identical conditions is attributed to random layer stacking in the self-assembled colloidal crystals used as templates for fabricating the inverse opals. The present method provides a versatile tool for analyzing photonic crystal structure in studies of inverse opals made of various materials, colloidal crystals, and three-dimensional photonic crystals of other types.

Resonant inelastic x-ray scattering studies of elementary excitations

NARCIS (Netherlands)

Ament, Lucas Johannes Peter (Luuk)

2010-01-01

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

Small-angle and wide-angle X-ray scattering study on the bilayer structure of synthetic and bovine heart cardiolipins

International Nuclear Information System (INIS)

Takahashi, Hiroshi; Hayakawa, Tomohiro; Ito, Kazuki; Takata, Masaki; Kobayashi, Toshihide

2010-01-01

Cardiolipin (CL) is a membrane phospholipid containing four fatty acid chains. CL plays an important role in energy transformation in mitochondria. The disorder of CL biosynthesis is involved in a genetic disease, Barth syndrome. Alteration of fatty acid composition of CLs has been found in Barth syndrome patients, i.e., the decrease of unsaturated fatty acid chains. In this study, we investigated how the degree of saturation alters the structure of CL bilayers by using X-ray scattering. Bovine heart CL and two synthetic CLs were compared. Fatty acid compositions of these three CLs have different saturation. Small-angle X-ray scattering data showed that the decrease of the number of double bonds in the unsaturated fatty acid chains causes to thicken the CL bilayers. In addition, wide-angle X-ray scattering data suggested that the decrease reduces the degree of disorder of the hydrophobic region in a liquid crystalline phase. These results may be related to the dysfunction of mitochondria in Barth syndrome.

Small-angle and wide-angle X-ray scattering study on the bilayer structure of synthetic and bovine heart cardiolipins

Energy Technology Data Exchange (ETDEWEB)

Takahashi, Hiroshi [Biophysics Laboratory, Department of Chemistry and Chemical Biology, Gunma University, Maebashi, Gunma, 371-8510 (Japan); Hayakawa, Tomohiro [Life Science Laboratory, Advanced Materials Laboratories, Sony Corporation, Yushima, Bunkyo-ku, Tokyo, 113-8510 (Japan); Ito, Kazuki; Takata, Masaki [Structural Materials Science Laboratory, RIKEN SPring-8 Center, Sayo, Hyogo 679-5148 (Japan); Kobayashi, Toshihide, E-mail: htakahas@chem-bio.gunma-u.ac.j [Lipid Biology Laboratory, RIKEN, Wako, Saitama 351-0198 (Japan)

2010-10-01

Cardiolipin (CL) is a membrane phospholipid containing four fatty acid chains. CL plays an important role in energy transformation in mitochondria. The disorder of CL biosynthesis is involved in a genetic disease, Barth syndrome. Alteration of fatty acid composition of CLs has been found in Barth syndrome patients, i.e., the decrease of unsaturated fatty acid chains. In this study, we investigated how the degree of saturation alters the structure of CL bilayers by using X-ray scattering. Bovine heart CL and two synthetic CLs were compared. Fatty acid compositions of these three CLs have different saturation. Small-angle X-ray scattering data showed that the decrease of the number of double bonds in the unsaturated fatty acid chains causes to thicken the CL bilayers. In addition, wide-angle X-ray scattering data suggested that the decrease reduces the degree of disorder of the hydrophobic region in a liquid crystalline phase. These results may be related to the dysfunction of mitochondria in Barth syndrome.

Measurement of X-ray mass attenuation coefficient of nickel around the K-edge using synchrotron radiation based X-ray absorption study

International Nuclear Information System (INIS)

Roy, Bunty Rani; Rajput, Parasmani; Jha, S.N.; Nageswara Rao, A.S.

2015-01-01

The work presents the X-ray absorption fine structure (XAFS) technique for measuring the X-ray mass attenuation coefficient of nickel metal foil in the X-ray energy range of 8271.2–8849.4 eV using scanning XAFS beam line (BL-09) at Indus-2 synchrotron radiation source facility, Raja Ramanna Centre for Advanced Technology (RRCAT) at Indore, India. The result represents the X-ray mass attenuation coefficient data for 0.02 mm thick Ni metal foil in the XAFS region of Ni K-edge. However, the results are compared to theoretical values using X-COM. There is a maximum deviation which is found exactly near the K-edge jump and decreases as we move away from the absorption edge. Oscillatory structure appears just above the observed absorption edge i.e., 8348.7 eV and is confined to around 250 eV above the edge. - Highlights: • Mass attenuation coefficient measurements of nickel using synchrotron radiation. • The measurements were taken exactly near the Ni K-edge at an energy step of 1 eV. • A maximum deviation is found near the K-edge

Structured scintillators for X-ray imaging with micrometre resolution

DEFF Research Database (Denmark)

Olsen, Ulrik Lund; Schmidt, Søren; Poulsen, Henning Friis

2009-01-01

A 3D X-ray detector for imaging of 30–200 keV photons is described. It comprises a stack of semitransparent structured scintillators, where each scintillator is a regular array of waveguides in silicon, and with pores filled with CsI. The performance of the detector is described theoretically...

Spectral structure of a polycapillary lens shaped X-ray beam

Science.gov (United States)

Gogolev, A. S.; Filatov, N. A.; Uglov, S. R.; Hampai, D.; Dabagov, S. B.

2018-04-01

Polycapillary X-ray optics is widely used in X-ray analysis techniques to create a small secondary source, for instance, or to deliver X-rays to the point of interest with minimum intensity losses [1]. The main characteristics of the analytical devices on its base are the size and divergence of the focused or translated beam. In this work, we used the photon-counting pixel detector ModuPIX to study the parameters for polycapillary focused X-ray tube radiation as well as the energy and spatial dependences of radiation at the focus. We have characterized the high-speed spectral camera ModuPIX, which is a single Timepix device with a fast parallel readout allowing up to 850 frames per second with 256 × 256 pixels and a 55 μm pitch defined by the frame frequency. By means of the silicon monochromator the energy response function is measured in clustering mode by the energy scan over total X-ray tube spectrum.

X-ray structural study of Ge(001):Te 1x1 performed at the advanced photon source. Current status of the surface-interface structure beamline at SPring-8

CERN Document Server

Sakata, O

2002-01-01

This article is composed of two parts. In the first half, we describe a study that we performed at 5ID-C of the Dupont- Northwestern University-Dow (DND) CAT in the Advanced Photon Source, the Argonne National Laboratory for 1998 to 2000. A surface structure of Ge(001):Te 1x1 was determined by least-squares fits of x-ray scattered intensities with calculations based on some surface atomic structural models. The fitted structural model has a characteristic that a direction of a Ge-Ge dimer bond on the first Ge atomic layer is perpendicular to a Te missing row. It was distinct from those based on first-principles total energy calculations. In the second half, we introduce up-to-the-minute status of BL13XU for surface-interface structural studies at SPring-8. Scientific research goals we desire are mentioned as well. (author)

X-ray of osteopathies

International Nuclear Information System (INIS)

Freyschmidt, J.

1980-01-01

Osteoporosis, osteomalcia, fibro-osteoclasia and osteosclerosis are essential reactions to pathologicometabolic processes of the bone. The X-ray film shows precisely which changes have taken place in the bone structure, thus supplying the means for an analysis based on anatomic pathology. These phenomena are discussed in detail, special attention being paid to structural modifications. Attention is also focused on the problems connected with X-ray technology. The value of direct and indirect magnification of the skeleton of the hand for the identification and classification of esteopathies is explained. Phenomena observed in X-ray films, such as enosteal erosion, intracortical longitudinal stripes or tunnelisation, as well as subperiostal absorption, can be of pathognomonic importance for certain osteopathies. (orig.) [de

Unit cell structure of the wurtzite phase of GaP nanowires : X-ray diffraction studies and density functional theory calculations

OpenAIRE

Kriegner, D.; Assali, S.; Belabbes, A.; Etzelstorfer, T.; Holy, V.; Schülli, T.U.; Bechstedt, F.; Bakkers, E.P.A.M.; Bauer, G.; Stangl, J.

2013-01-01

We present structural characterization of the wurtzite crystal structure of GaP nanowires, which were recently shown to have a direct electronic band gap. The structural parameters of the wurtzite phase do consist of two lattice parameters and one internal degree of freedom, determining the Ga-P bond length along the c direction. Using density functional theory calculations, we study the influence of the internal degree of freedom on the band structure. By synchrotron x-ray diffraction studie...

Soft x-ray spectroscopy studies of novel electronic materials using synchrotron radiation

Science.gov (United States)

Newby, David, Jr.

Soft x-ray spectroscopy can provide a wealth of information on the electronic structure of solids. In this work, a suite of soft x-ray spectroscopies is applied to organic and inorganic materials with potential applications in electronic and energy generation devices. Using the techniques of x-ray absorption (XAS), x-ray emission spectroscopy (XES), and x-ray photoemission spectroscopy (XPS), the fundamental properties of these different materials are explored. Cycloparaphenylenes (CPPs) are a recently synthesized family of cyclic hydrocarbons with very interesting properties and many potential applications. Unusual UV/Visible fluorescence trends have spurred a number of theoretical investigations into the electronic properties of the CPP family, but thus far no comprehensive electronic structure measurements have been conducted. XPS, XAS, and XES data for two varieties, [8]- and [10]-CPP, are presented here, and compared with the results of relevant DFT calculations. Turning towards more application-centered investigations, similar measurements are applied to two materials commonly used in solid oxide fuel cell (SOFC) cathodes: La1-xSrxMnO 3 (LSMO) and La1-xSr1- xCo1-yFe yO3 (LSCF). Both materials are structurally perovskites, but they exhibit strikingly different electronic properties. SOFC systems very efficiently produce electricity by catalyzing reactions between oxygen and petroleum-based hydrocarbons at high temperatures (> 800 C). Such systems are already utilized to great effect in many industries, but more widespread adoption could be had if the cells could operate at lower temperatures. Understanding the electronic structure and operational evolution of the cathode materials is essential for the development of better low-temperature fuel cells. LSCF is a mixed ion-electron conductor which holds promise for low-temperature SOFC applications. XPS spectra of LSCF thin films are collected as the films are heated and gas-dosed in a controlled environment. The

Investigation of nanoscale structures by small-angle X-ray scattering in a radiochromic dosimeter

DEFF Research Database (Denmark)

Skyt, Peter Sandegaard; Jensen, Grethe Vestergaard; Wahlstedt, Isak Hannes

2014-01-01

This study examines the nanoscale structures in a radiochromic dosimeter that was based on leuco-malachite-green dye and the surfactant sodium dodecyl sulfate (SDS) suspended in a gelatin matrix. Small-angle X-ray scattering was used to investigate the structures of a range of compositions...

X-ray Topographic Investigations of Domain Structure in Czochralski Grown PrxLa1-xAlO3 Crystals

International Nuclear Information System (INIS)

Wieteska, K.; Wierzchowski, W.; Malinowska, A.; Turczynski, S.; Pawlak, D.A.; Lukasiewicz, T.; Lefeld-Sosnowska, M.; Graeff, W.

2010-01-01

In the present paper X-ray diffraction topographic techniques were applied to a number of samples cut from Czochralski grown Pr x La 1-x AlO 3 crystals with different ratio of praseodymium and lanthanum. Conventional and synchrotron X-ray topographic investigations revealed differently developed domain structures dependent on the composition of mixed praseodymium lanthanum aluminium perovskites. Some large mosaic blocks were observed together with the domains. In the best crystals, X-ray topographs revealed striation fringes and individual dislocations inside large domains. Synchrotron topographs allowed us to indicate that the domains correspond to three different crystallographic planes, and to evaluate the lattice misorientation between domains in the range of 20-50 arc min (authors)

Structure determination by X-ray crystallography

CERN Document Server

Ladd, M F C

1995-01-01

X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking develop­ ments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are experienced both as research workers themselves and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of iliustrations and worked examples to aid the student to obtain a real grasp of the subject.

X-ray detector

International Nuclear Information System (INIS)

Whetten, N.R.; Houston, J.M.

1977-01-01

An ionization chamber for use in determining the spatial distribution of x-ray photons in tomography systems comprises a plurality of substantially parallel, planar anodes separated by parallel, planar cathodes and enclosed in a gas of high atomic weight at a pressure from approximately 10 atmospheres to approximately 50 atmospheres. The cathode and anode structures comprise metals which are substantially opaque to x-ray radiation and thereby tend to reduce the resolution limiting effects of x-ray fluoresence in the gas. In another embodiment of the invention the anodes comprise parallel conductive bars disposed between two planar cathodes. Guard rings eliminate surface leakage currents between adjacent electrodes. 8 figures

Phase-contrast tomographic imaging using an X-ray interferometer

Energy Technology Data Exchange (ETDEWEB)

Momose, A. [Hitachi Ltd, Advanced Research Lab., Saitama (Japan); Takeda, T.; Itai, Y. [Univ. of Tsukuba, Inst. of Clinical Medicine, Ibaraki (Japan); Yoneyama, A. [Hitachi Ltd, Central Resarch Lab., Tokyo (Japan); Hirano, K. [High Energy Accelerator Research Organization, Inst. of Materials Structure Science, Ibaraki (Japan)

1998-05-01

Apparatus for phase-contrast X-ray computed tomography using a monolithic X-ray interferometer is presented with some observational results for human breast tissues. Structures characteristic of the tissues were revealed in the phase-contrast tomograms. The procedure of image analysis consists of phase retrieval from X-ray interference patterns and tomographic image reconstruction from the retrieved phase shift. Next, feasibility of phase-contrast imaging using a two-crystal X-ray interferometer was studied aiming at in vivo observation in the future. In a preliminary study, the two-crystal X-ray interferometer was capable of generating fringes of 70% visibility using synchrotron X-rays. 35 refs.

Phase-contrast tomographic imaging using an X-ray interferometer

International Nuclear Information System (INIS)

Momose, A.; Takeda, T.; Itai, Y.; Yoneyama, A.; Hirano, K.

1998-01-01

Apparatus for phase-contrast X-ray computed tomography using a monolithic X-ray interferometer is presented with some observational results for human breast tissues. Structures characteristic of the tissues were revealed in the phase-contrast tomograms. The procedure of image analysis consists of phase retrieval from X-ray interference patterns and tomographic image reconstruction from the retrieved phase shift. Next, feasibility of phase-contrast imaging using a two-crystal X-ray interferometer was studied aiming at in vivo observation in the future. In a preliminary study, the two-crystal X-ray interferometer was capable of generating fringes of 70% visibility using synchrotron X-rays

X-ray structure amplitudes for GaAs and InP

International Nuclear Information System (INIS)

Pietsch, U.

1985-01-01

The structure amplitudes of GaAs and InP are calculated taking into account the nonspherical parts of the valence electron density by means of a static bond charge model. The best known temperature factors and dispersion coefficients are employed. The calculated structure amplitudes should help determining exactly the shape of X-ray diffraction patterns. (author)

X-ray Microprobe for Fluorescence and Diffraction Analysis

International Nuclear Information System (INIS)

Ice, G.E.

2005-01-01

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

Planetary X-ray studies: past, present and future

Science.gov (United States)

Branduardi-Raymont, Graziella

2016-07-01

Our solar system is a fascinating physics laboratory and X-ray observations are now firmly established as a powerful diagnostic tool of the multiple processes taking place in it. The science that X-rays reveal encompasses solar, space plasma and planetary physics, and the response of bodies in the solar system to the impact of the Sun's activity. This talk will review what we know from past observations and what we expect to learn in the short, medium and long term. Observations with Chandra and XMM-Newton have demonstrated that the origin of Jupiter's bright soft X-ray aurorae lies in the Charge eXchange (CX) process, likely to involve the interaction with atmospheric neutrals of local magnetospheric ions, as well as those carried in the solar wind. At higher energies electron bremsstrahlung is thought to be the X-ray emitting mechanism, while the whole planetary disk acts as a mirror for the solar X-ray flux via Thomson and fluorescent scattering. This 'X-ray mirror' phenomenon is all that is observed from Saturn's disk, which otherwise lacks X-ray auroral features. The Earth's X-ray aurora is bright and variable and mostly due to electron bremsstrahlung and line emission from atmospheric species. Un-magnetised planets, Venus and Mars, do not show X-ray aurorae but display the interesting combination of mirroring the solar X-ray flux and producing X-rays by Solar Wind Charge eXchange (SWCX) in their exospheres. These processes respond to different solar stimulation (photons and solar wind plasma respectively) hence their relative contributions are seen to vary according to the Sun's output. Present and future of planetary X-ray studies are very bright. We are preparing for the arrival of the Juno mission at Jupiter this summer and for coordinated observations with Chandra and XMM-Newton on the approach and later during Juno's orbital phase. These will allow direct correlation of the local plasma conditions with the X-ray emissions and the establishment of the

Design studies for ITER x-ray diagnostics

International Nuclear Information System (INIS)

Hill, K.W.; Bitter, M.; von Goeler, S.; Hsuan, H.

1995-01-01

Concepts for adapting conventional tokamak x-ray diagnostics to the harsh radiation environment of ITER include use of grazing-incidence (GI) x-ray mirrors or man-made Bragg multilayer (ML) elements to remove the x-ray beam from the neutron beam, or use of bundles of glass-capillary x-ray ''light pipes'' embedded in radiation shields to reduce the neutron/gamma-ray fluxes onto the detectors while maintaining usable x-ray throughput. The x-ray optical element with the broadest bandwidth and highest throughput, the GI mirror, can provide adequate lateral deflection (10 cm for a deflected-path length of 8 m) at x-ray energies up to 12, 22, or 30 keV for one, two, or three deflections, respectively. This element can be used with the broad band, high intensity x-ray imaging system (XIS), the pulseheight analysis (PHA) survey spectrometer, or the high resolution Johann x-ray crystal spectrometer (XCS), which is used for ion-temperature measurement. The ML mirrors can isolate the detector from the neutron beam with a single deflection for energies up to 50 keV, but have much narrower bandwidth and lower x-ray power throughput than do the GI mirrors; they are unsuitable for use with the XIS or PHA, but they could be used with the XCS; in particular, these deflectors could be used between ITER and the biological shield to avoid direct plasma neutron streaming through the biological shield. Graded-d ML mirrors have good reflectivity from 20 to 70 keV, but still at grazing angles (<3 mrad). The efficiency at 70 keV for double reflection (10 percent), as required for adequate separation of the x-ray and neutron beams, is high enough for PHA requirements, but not for the XIS. Further optimization may be possible

Method of evaluation of structural (screen) and quantum graininess of X-ray pictures

Energy Technology Data Exchange (ETDEWEB)

Gurvich, A M; Shamanov, A A; Erofeeva, N D [Nauchno-Issledovatel' skij Inst. Rentgenologii i Radiologii, Moscow (USSR)

1979-03-01

Proposed is a method for quantitative determination of graininess of X-ray pictures (gamma-ray images), the graininess being conditioned by the structure of amplifying screens and quantum fluctuations. The method is based on the determination of threshold brightness at which the picture graininess becomes obvious. It is shown that at low effective quantum energy (Esub(eff.) <= 50 keV) the graininess observed is for the most part structural (screen). Its growth is connected with quantum fluctuations when increasing Esub(eff.) up to 150 keV and using screens with high output values of X-ray luminescence and the coefficient of spectral accordance to the film.

Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling

Energy Technology Data Exchange (ETDEWEB)

Itoh, Keiji, E-mail: itoh@okayama-u.ac.jp [Graduate School of Education, Okayama University, Tsushima-naka, Okayama 700-8530 (Japan); Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494 (Japan)

2017-02-15

Pulsed neutron diffraction and synchrotron X-ray diffraction measurements were performed on Se{sub 100-x}Te{sub x} bulk glasses with x=10, 20, 30 and 40. The coordination numbers obtained from the diffraction results demonstrate that Se and Te atoms are twofold coordinated and the glass structure is formed by the chain network. The three-dimensional structure model for Se{sub 60}Te{sub 40} glass obtained by using reverse Monte Carlo modelling shows that the alternating arrangements of Se and Te atoms compose the major part of the chain clusters but several other fragments such as Se{sub n} chains and Te-Te dimers are also present in large numbers. The chain clusters have geometrically disordered forms and the interchain atomic order is different from those in the crystal structures of trigonal Se and trigonal Te. - Graphical abstract: Coordination environment in Se{sub 60}Te{sub 40} glass.

Time-resolved hard x-ray studies using third-generation synchrotron radiation sources (abstract)

International Nuclear Information System (INIS)

Mills, D.M.

1992-01-01

The third-generation, high-brilliance, synchrotron radiation sources currently under construction will usher in a new era of x-ray research in the physical, chemical, and biological sciences. One of the most exciting areas of experimentation will be the extension of static x-ray scattering and diffraction techniques to the study of transient or time-evolving systems. The high repetition rate, short-pulse duration, high-brilliance, variable spectral bandwidth, and large particle beam energies of these sources make them ideal for hard x-ray, time-resolved studies. The primary focus of this presentation will be on the novel instrumentation required for time-resolved studies such as optics which can increase the flux on the sample or disperse the x-ray beam, detectors and electronics for parallel data collection, and methods for altering the natural time structure of the radiation. This work is supported by the U.S. Department of Energy, BES-Materials Science, under Contract No. W-31-109-ENG-38

Repeated pulsed x-ray emission equipment

International Nuclear Information System (INIS)

Terauchi, Hikaru; Iida, Satoshi

1982-01-01

X-ray diffraction technique has been applied to determine the spatial positions of atoms which compose a material, and it is needless to say that the technique is a fundamental means regardless of the fields of research. However, the application of X-ray diffraction to the research on physical properties has been so far limited to know the spatial positions of atoms or molecules under thermal equilibrium condition. The addition of time element to the conventional technique, that is, the analysis of material structure including the time-varying processes under non-equilibrium conditions, is considered to approach the elucidation of the essence of materials. The authors call this dynamic structural analysis. The authors have planned to analyze X-ray diffraction intensity which has the resolution of about 10 -8 s in the real time which is conjugate with energy. However, present pulsed X-ray sources are not suitable for diffraction experiment because the pulse width is too long or X-ray wavelength is too short. Accordingly, the authors have made for trial a pulsed X-ray source for diffraction experiment. Its specifications are: diode voltage (X-ray tube voltage) from 200 to 300 kV, diode current from 2 to 5 kA, pulse width of about 30ns, maximum repetition frequency 10 pps, and X-ray focus size of 2 mm diameter. One of the features of this source is the repeated generation of pulsed X-ray. This is the first trial in the world, and is indispensable to the dynamic structural analysis described above. The quality of the emitted X-ray is also written. (Wakatsuki, Y.)

Laboratory-based recording of holographic fine structure in X-ray absorption anisotropy using polycapillary optics

Energy Technology Data Exchange (ETDEWEB)

Dabrowski, K.M. [Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland); Korecki, P., E-mail: pawel.korecki@uj.edu.pl [Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Krakow (Poland)

2012-08-15

Highlights: Black-Right-Pointing-Pointer Holographic fine structures in X-ray absorption recorded using a tabletop setup. Black-Right-Pointing-Pointer Setup based on polycapillary collimating optics and an HOPG crystal. Black-Right-Pointing-Pointer Demonstration of element sensitivity by detection of X-ray fluorescence. Black-Right-Pointing-Pointer Potential of laboratory-based experiments for heavily doped crystals and thin films. - Abstract: A tabletop setup composed of a collimating polycapillary optics and a highly oriented pyrolytic graphite monochromator (HOPG) was characterized and used for recording two-dimensional maps of X-ray absorption anisotropy (XAA). XAA originates from interference of X-rays directly inside the sample. Depending on experimental conditions, fine structures in XAA can be interpreted in terms of X-ray holograms or X-ray standing waves and can be used for an element selective atomic-resolved structural analysis. The implementation of polycapillary optics resulted in a two-order of magnitude gain in the radiant intensity (photons/s/solid angle) as compared to a system without optics and enabled efficient recording of XAA with a resolution of 0.15 Degree-Sign for Mo K{alpha} radiation. Element sensitivity was demonstrated by acquisition of distinct XAA signals for Ga and As atoms in a GaAs (1 1 1) wafer by using X-ray fluorescence as a secondary signal. These results indicate the possibility of performing laboratory-based XAA experiments for heavily doped single crystals or thin films. So far, because of the weak holographic modulation of XAA, such experiments could be only performed using synchrotron radiation.

X-ray optics and X-ray microscopes: new challenges

International Nuclear Information System (INIS)

Susini, J.

2004-01-01

main fields of applications are driven by the unique attributes of X-ray microscopy in the multi-keV energy range: i) access to K-absorption edges and fluorescence emission lines of medium-light elements and L,M - edges of heavy materials for micro-spectroscopy (e.g. XANES), chemical or trace element mapping ii) higher penetration depths compared to soft X-rays allowing imaging of thicker samples, iii) favorable wavelengths for diffraction studies and iv) generally large focal lengths and depths of focus which are advantageous for the use of specific sample environments (high pressure, controlled temperatures....). Typical experiments can be broadly divided into two categories: i) morphological studies which require high spatial resolution and are therefore well adapted to 2D or 3D transmission full-field microscopy. ii) studies dealing with co-localization and/or speciation of trace elements in heterogeneous matrices at the micron scale. Following a brief account on the basic principles and methods, strengths and weaknesses of X-ray microscopy and spectro-microscopy techniques in the 1 - 30 keV range will be discussed and illustrated by examples of applications. The main technical developments, involving new focusing lenses or novel phase contrast geometry, will be presented. (author)

Two-dimensional imaging detectors for structural biology with X-ray lasers.

Science.gov (United States)

Denes, Peter

2014-07-17

Our ability to harness the advances in microelectronics over the past decade(s) for X-ray detection has resulted in significant improvements in the state of the art. Biology with X-ray free-electron lasers present daunting detector challenges: all of the photons arrive at the same time, and individual high peak power pulses must be read out shot-by-shot. Direct X-ray detection in silicon pixel detectors--monolithic or hybrid--are the standard for XFELs today. For structural biology, improvements are needed for today's 10-100 Hz XFELs, and further improvements are required for tomorrow's 10+ kHz XFELs. This article will discuss detector challenges, why they arise and ways to overcome them, along with the current state of the art. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

X-ray astronomy

International Nuclear Information System (INIS)

Culhane, J.L.; Sanford, P.W.

1981-01-01

X-ray astronomy has been established as a powerful means of observing matter in its most extreme form. The energy liberated by sources discovered in our Galaxy has confirmed that collapsed stars of great density, and with intense gravitational fields, can be studied by making observations in the X-ray part of the electromagnetic spectrum. The astronomical objects which emit detectable X-rays include our own Sun and extend to quasars at the edge of the Universe. This book describes the history, techniques and results obtained in the first twenty-five years of exploration. Space rockets and satellites are essential for carrying the instruments above the Earth's atmosphere where it becomes possible to view the X-rays from stars and nebulae. The subject is covered in chapters, entitled: the birth of X-ray astronomy; the nature of X-radiation; X-rays from the Sun; solar-flare X-rays; X-rays from beyond the solar system; supernovae and their remnants; X-rays from binary stars; white dwarfs and neutron stars; black holes; X-rays from galaxies and quasars; clusters of galaxies; the observatories of the future. (author)

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

Science.gov (United States)

Kowarik, Stefan

2017-02-01

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

High-resolution X-ray crystal structure of bovine H-protein using the high-pressure cryocooling method

International Nuclear Information System (INIS)

Higashiura, Akifumi; Ohta, Kazunori; Masaki, Mika; Sato, Masaru; Inaka, Koji; Tanaka, Hiroaki; Nakagawa, Atsushi

2013-01-01

Using the high-pressure cryocooling method, the high-resolution X-ray crystal structure of bovine H-protein was determined at 0.86 Å resolution. This is the first ultra-high-resolution structure obtained from a high-pressure cryocooled crystal. Recently, many technical improvements in macromolecular X-ray crystallography have increased the number of structures deposited in the Protein Data Bank and improved the resolution limit of protein structures. Almost all high-resolution structures have been determined using a synchrotron radiation source in conjunction with cryocooling techniques, which are required in order to minimize radiation damage. However, optimization of cryoprotectant conditions is a time-consuming and difficult step. To overcome this problem, the high-pressure cryocooling method was developed (Kim et al., 2005 ▶) and successfully applied to many protein-structure analyses. In this report, using the high-pressure cryocooling method, the X-ray crystal structure of bovine H-protein was determined at 0.86 Å resolution. Structural comparisons between high- and ambient-pressure cryocooled crystals at ultra-high resolution illustrate the versatility of this technique. This is the first ultra-high-resolution X-ray structure obtained using the high-pressure cryocooling method

Theory of X-ray absorption and emission spectra

International Nuclear Information System (INIS)

Mukoyama, Takeshi

2004-01-01

Theoretical studies on X-ray absorption and emission spectroscopy are discussed. Simple expressions for X-ray emission rate and X-ray absorption cross section are presented in the dipole approximation. Various atomic models to obtain realistic wave functions and theoretical calculations for X-ray absorption cross sections and X-ray emission rates are described. In the case of molecules and solids, molecular orbital methods for electronic structures and molecular wave functions are discussed. The emphasis is on the procedures to obtain the excited-state and continuum wave functions for molecules and to calculate the multi-center dipole matrix elements. The examples of the calculated X-ray absorption and emission spectra are shown and compared with the experimental results

Structure analysis of InN film using extended X-ray absorption fine structure method

Energy Technology Data Exchange (ETDEWEB)

Miyajima, T.; Kobayashi, T.; Hirata, S. [Core Technology Development Center, Core Technology and Network Company, Sony Corporation, 4-14-1 Asahi-cho, Atsugi, Kanagawa 243-0014 (Japan); Kudo, Y.; Liu, K.L. [Technology Solutions Center, Sony Corporation, 4-16-1 Okata, Atsugi, Kanagawa 243-0021 (Japan); Uruga, T.; Honma, T. [Japan Synchrotron Radiation Research Institute, Mikazuki-cho, Hyogo 679-5198 (Japan); Saito, Y.; Hori, M.; Nanishi, Y. [Department of Photonics, Ritsumeikan University, 1-1-1 Noji-Higashi, Kusatsu, Shiga 525-8577 (Japan)

2002-12-01

We investigated the local atomic structure around In atoms of MBE-grown InN which has a direct bandgap energy of 0.8 eV, using extended X-ray absorption fine structure (EXAFS) oscillation of In K-edge. The signals from the first-nearest neighbor atoms (N) and second-nearest atoms (In) from In atoms were clearly observed and the atomic bond length of In-N and In-In was estimated to be d{sub In-N}=0.215 nm and d{sub In-In}=0.353 nm, respectively. The In-N bond length of d{sub In-In}=0.353 nm was closed to the a-axis lattice constant of a=0.3536 nm, which was determined using X-ray diffraction measurements. The obtained local atomic structure agreed with the calculated ideal structure. We conclude, therefore, that the InN film with a bandgap energy of 0.8 eV has a high structural symmetry in the range of a few A around In atoms. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

Structure analysis of InN film using extended X-ray absorption fine structure method

International Nuclear Information System (INIS)

Miyajima, T.; Kobayashi, T.; Hirata, S.; Kudo, Y.; Liu, K.L.; Uruga, T.; Honma, T.; Saito, Y.; Hori, M.; Nanishi, Y.

2002-01-01

We investigated the local atomic structure around In atoms of MBE-grown InN which has a direct bandgap energy of 0.8 eV, using extended X-ray absorption fine structure (EXAFS) oscillation of In K-edge. The signals from the first-nearest neighbor atoms (N) and second-nearest atoms (In) from In atoms were clearly observed and the atomic bond length of In-N and In-In was estimated to be d In-N =0.215 nm and d In-In =0.353 nm, respectively. The In-N bond length of d In-In =0.353 nm was closed to the a-axis lattice constant of a=0.3536 nm, which was determined using X-ray diffraction measurements. The obtained local atomic structure agreed with the calculated ideal structure. We conclude, therefore, that the InN film with a bandgap energy of 0.8 eV has a high structural symmetry in the range of a few A around In atoms. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

Traditional x-ray imaging

International Nuclear Information System (INIS)

Hay, G.A.

1982-01-01

Methods of imaging x-rays, with particular reference to medicine, are reviewed. The history and nature of x-rays, their production and spectra, contrast, shapes and fine structure, image transducers, including fluorescent screens, radiography, fluoroscopy, and image intensifiers, image detection, perception and enhancement and clinical applications are considered. (U.K.)

Development of an x-ray beam line at the NSLS for studies in materials science using x-ray absorption spectroscopy: Annual progress report

International Nuclear Information System (INIS)

Sayers, D.E.

1987-01-01

The research programs reported span virtually the entire range of condensed matter studies involving the fields of solid state physics, chemistry, electrochemistry, materials science and biochemistry. Results are discussed for various groups. Topics reported include work on amorphous chalcogenide semiconductors, particularly photostructural changes, kinetics of structural changes and rapid quenching, bond strengths, force constants and phonons. Also reported are temperature dependent EXAFS studies of bonding in high temperature alloys, amorphous systems, disordered alloys and studies of resolve electronic structure, EXAFS and XANES studies of permanent magnet systems based on Nd 2 Fe 14 B, glancing angle EXAFS study of Nb/Al and Nb/Si interfacial systems, x-ray absorption of krypton-implanted solids and high dose implants into silicon, and x-ray absorption and EXAFS studies of superconducting oxide compounds of Cu and related magnetic systems. Work is also reported on XAFS measurements on the icosahedral phase

Shining X-rays on catalysts at work

DEFF Research Database (Denmark)

Grunwaldt, Jan-Dierk

2009-01-01

excitation spectroscopy). In order to obtain spectroscopic information on the oxidation state inside a microreactor, scanning and full field X-ray microscopy with X-ray absorption spectroscopic contrast were achieved under reaction conditions. If a microbeam is applied, fast scanning techniques like QEXAFS...... are required. In this way, even X-ray absorption spectroscopic tomographic images of a slice of a microreactor were obtained. The studies were recently extended to spatiotemporal studies that give important insight into the dynamics of the catalyst structure in a spatial manner with subsecond time-resolution....

X-ray microscopy study of track membranes and biological objects

International Nuclear Information System (INIS)

Artioukov, I.A.; Levashov, V.E.; Struk, I.I.; Vinogradov, A.V.; Asadchikov, V.E.; Mchedlishvili, B.V.; Postnov, A.A.; Vilensky, A.I.; Zagorsky, D.L.; Gulimova, V.I.; Saveliev, S.V.; Kurohtin, A.N.; Popov, A.V.

2000-01-01

The development of two types of X-ray microscopy applying to the organic objects investigation (biological samples and polymer matrix) is reported. Polymer track membranes were investigated using Schwarzchild X-ray microscope with 20 nm wavelength. Pore diameters down to 0.2 μm were clearly imaged. Contact X-ray microscopy at 0.229 nm wavelength was used to obtain clear images of inner structure of native biological samples. High contrast together with the high resolution (about 2-3 μm) allowed us to use this method for quantitative analysis of demineralization process taking place in the skeleton of amphibious after several weeks of weightlessness on biosputnik board

Small-angle x-ray scattering investigation of the solution structure of troponin C

International Nuclear Information System (INIS)

Hubbard, S.R.; Hodgson, K.O.; Doniach, S.

1988-01-01

X-ray crystallographic studies of troponin C have revealed a novel protein structure consisting of two globular domains, each containing two Ca 2+ -binding sites, connected via a nine-turn alpha-helix, three turns of which are fully exposed to solvent. Since the crystals were grown at pH approximately 5, it is of interest to determine whether this structure is applicable to the protein in solution under physiological conditions. We have used small-angle x-ray scattering to examine the solution structure of troponin C at pH 6.8 and the effect of Ca 2+ on the structure. The scattering data are consistent with an elongated structure in solution with a radius of gyration of approximately 23.0 A, which is quite comparable to that computed for the crystal structure. The experimental scattering profile and the scattering profile computed from the crystal structure coordinates do, however, exhibit differences at the 40-A level. A weak Ca 2+ -facilitated dimerization of troponin C was observed. The data rule out large Ca 2+ -induced structural changes, indicating rather that the molecule with Ca 2+ bound is only slightly more compact than the Ca 2+ -free molecule

Resonant x-ray Raman scattering from atoms and molecules

International Nuclear Information System (INIS)

Cowan, P.L.

1992-01-01

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

X-ray absorption spectroscopy and EPR studies of oriented spinach thylakoid preparations

Energy Technology Data Exchange (ETDEWEB)

Andrews, J.C. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley Lab., CA (United States). Structural Biology Div.

1995-08-01

In this study, oriented Photosystem II (PS II) particles from spinach chloroplasts are studied with electron paramagnetic resonance (EPR) and x-ray absorption spectroscopy (XAS) to determine more details of the structure of the oxygen evolving complex (OEC). The nature of halide binding to Mn is also studied with Cl K-edge and Mn EXAFS (extended x-ray absorption fine structure) of Mn-Cl model compounds, and with Mn EXAFS of oriented PS II in which Br has replaced Cl. Attention is focused on the following: photosynthesis and the oxygen evolving complex; determination of mosaic spread in oriented photosystem II particles from signal II EPR measurement; oriented EXAFS--studies of PS II in the S{sub 2} state; structural changes in PS II as a result of treatment with ammonia: EPR and XAS studies; studies of halide binding to Mn: Cl K-edge and Mn EXAFS of Mn-Cl model compounds and Mn EXAFS of oriented Br-treated photosystem II.

X-ray absorption spectroscopic studies of mononuclear non-heme iron enzymes

Energy Technology Data Exchange (ETDEWEB)

Westre, Tami E. [Stanford Univ., CA (United States)

1996-01-01

Fe-K-edge X-ray absorption spectroscopy (XAS) has been used to investigate the electronic and geometric structure of the iron active site in non-heme iron enzymes. A new theoretical extended X-ray absorption fine structure (EXAFS) analysis approach, called GNXAS, has been tested on data for iron model complexes to evaluate the utility and reliability of this new technique, especially with respect to the effects of multiple-scattering. In addition, a detailed analysis of the 1s→3d pre-edge feature has been developed as a tool for investigating the oxidation state, spin state, and geometry of iron sites. Edge and EXAFS analyses have then been applied to the study of non-heme iron enzyme active sites.

X-ray photoemission electron microscopy for the study of semiconductor materials

International Nuclear Information System (INIS)

Anders, Simone; Stammler, Thomas; Padmore, Howard A.; Terminello, Louis J.; Jankowski, Alan F.; Stoehr, Joachim; Diaz, Javier; Cossy-Favre, Aline; Singh, Sangeet

1998-01-01

Photoemission Electron Microscopy using X-rays (X-PEEM) is a novel combination of two established materials analysis techniques--PEEM using UV light, and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy. This combination allows the study of elemental composition and bonding structure of the sample by NEXAFS spectroscopy with a high spatial resolution given by the microscope. A simple, two lens, 10 kV operation voltage PEEM has been used at the Stanford Synchrotron Radiation Laboratory and at the Advanced Light Source (ALS) in Berkeley to study various problems including materials of interest for the semiconductor industry. In the present paper we give a short overview over the method and the instrument which was used, and describe in detail a number of applications. These applications include the study of the different phases of titanium disilicide, various phases of boron nitride, and the analysis of small particles. A brief outlook is given on possible new fields of application of the PEEM technique, and the development of new PEEM instruments

X-ray studies of irradiation induced dislocation loops in metals

International Nuclear Information System (INIS)

Larson, B.C.

1975-01-01

Theoretical and experimental progress has resulted in the increased use of x-rays for the study of defects and defect clusters in crystals. An outline of the theoretical framework associated with Huang, Stokes-Wilson and integral diffuse scattering from dislocation loops is presented, and an account of recent experiments on radiation induced loops is given. These studies include low temperature, ambient temperature, and elevated temperature irradiations of metals with electrons, neutrons, and accelerated ions, and pertain to the study of the thermal annealing characteristics as well as the as-produced damage structure. The information obtained by x-rays as to the type, size and concentrations of dislocation loops is contrasted with existing electron microscopy, electrical resistivity, and lattice parameter data in order to establish correlations and identify areas of disagreement

X-ray diffraction

International Nuclear Information System (INIS)

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

1982-01-01

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

Cr/B{sub 4}C multilayer mirrors: Study of interfaces and X-ray reflectance

Energy Technology Data Exchange (ETDEWEB)

Burcklen, C.; Meltchakov, E.; Jérome, A.; Rossi, S. de; Delmotte, F. [Laboratoire Charles Fabry, Institut d' Optique Graduate School, CNRS, Université Paris-Saclay, 91127 Palaiseau Cedex (France); Soufli, R. [Laboratoire Charles Fabry, Institut d' Optique Graduate School, CNRS, Université Paris-Saclay, 91127 Palaiseau Cedex (France); Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States); Dennetiere, D.; Polack, F.; Capitanio, B.; Thomasset, M. [Synchrotron SOLEIL, L' Orme des Merisiers, Saint Aubin, BP 48F-91192 Gif sur Yvette Cedex (France); Gullikson, E. [Center for X-ray Optics, Lawrence Berkeley National Laboratory, 1 Cyclotron Rd., Berkeley, California 94720 (United States)

2016-03-28

We present an experimental study of the effect of layer interfaces on the x-ray reflectance in Cr/B{sub 4}C multilayer interference coatings with layer thicknesses ranging from 0.7 nm to 5.4 nm. The multilayers were deposited by magnetron sputtering and by ion beam sputtering. Grazing incidence x-ray reflectometry, soft x-ray reflectometry, and transmission electron microscopy reveal asymmetric multilayer structures with a larger B{sub 4}C-on-Cr interface, which we modeled with a 1–1.5 nm thick interfacial layer. Reflectance measurements in the vicinity of the Cr L{sub 2,3} absorption edge demonstrate fine structure that is not predicted by simulations using the currently tabulated refractive index (optical constants) values for Cr.

5 K extended X-ray absorption fine structure and 40 K 10-s resolved extended X-ray absorption fine structure studies of photolyzed carboxymyoglobin

International Nuclear Information System (INIS)

Teng, T.Y.; Huang, H.W.; Olah, G.A.

1987-01-01

A previous extended X-ray absorption fine structure (EXAFS) study of photolyzed carboxymyoglobin (MbCO) has provoked much discussion on the heme structure of the photoproduct (Mb*CO). The EXAFS interpretation that the Fe-Co distance increases by no more than 0.05 A following photodissociation has been regarded as inconsistent with optical, infrared, and magnetic susceptibility studies. The present experiment was performed with well-characterized dry film samples in which MbCO molecules were embedded in a poly(vinyl alcohol) matrix. The sample had a high protein concentration (12 mM) to yield adequate EXAFS signals but was very thin (40 μm) so that complete photolysis could be easily achieved by a single flash from a xenon lamp. Although the electronic state of Mb*CO resembles that of deoxymyoglobin (deoxy-Mb), direct comparison of EXAFS spectra indicates that structurally Mb*CO is much closer to MbCO than to deoxy-Mb. Our EXAFS analysis shows that photolysis of MbCO at 5 K leads to a stable intermediate state in which CO has moved away from iron by a distance of 0.27-0.45 A, but the 5-coordinate heme structure is strained in a form similar to that of MbCO; the resolution of the CO position depends on the structure parameters of MbCO which we use as a reference for the analysis of Mb*CO. At 40 K, from 1 to 10 s after photolysis, 42% of the photoproduct has relaxed to the ground state, and the EXAFS spectrum of the remaining photoproduct is indistinguishable from that of the 5 K photoproduct

3D visualization of subcellular structures of Schizosaccharomyces pombe by hard X-ray tomography.

Science.gov (United States)

Yang, Y; Li, W; Liu, G; Zhang, X; Chen, J; Wu, W; Guan, Y; Xiong, Y; Tian, Y; Wu, Z

2010-10-01

Cellular structures of the fission yeast, Schizosaccharomyces pombe, were examined by using hard X-ray tomography. Since cells are nearly transparent to hard X-rays, Zernike phase contrast and heavy metal staining were introduced to improve image contrast. Through using such methods, images taken at 8 keV displayed sufficient contrast for observing cellular structures. The cell wall, the intracellular organelles and the entire structural organization of the whole cells were visualized in three-dimensional at a resolution better than 100 nm. Comparison between phase contrast and absorption contrast was also made, indicating the obvious advantage of phase contrast for cellular imaging at this energy. Our results demonstrate that hard X-ray tomography with Zernike phase contrast is suitable for cellular imaging. Its unique abilities make it have potential to become a useful tool for revealing structural information from cells, especially thick eukaryotic cells. © 2010 The Authors Journal compilation © 2010 The Royal Microscopical Society.

Stabilized x-ray generator power supply

International Nuclear Information System (INIS)

Saha, Subimal; Purushotham, K.V.; Bose, S.K.

1986-01-01

X-ray diffraction and X-ray fluorescence analysis are very much adopted in laboratories to determine the type and structure of the constituent compounds in solid materials, chemical composition of materials, stress developed on metals etc. These experiments need X-ray beam of fixed intensity and wave length. This can only be achieved by X-ray generator having highly stabilized tube voltage and tube current. This paper describes how X-ray tube high voltage and electron beam current are stabilized. This paper also highlights generation of X-rays, diffractometry and X-ray fluorescence analysis and their wide applications. Principle of operation for stabilizing the X-ray tube voltage and current, different protection circuits adopted, special features of the mains H.V. transformer and H.T. tank are described in this report. (author)

Structure solution from powder neutron and x-ray diffraction data: getting the best of both worlds

International Nuclear Information System (INIS)

Hunter, B.A.

2000-01-01

Full text: Powder diffraction methods have traditionally been used in three main areas: phase identification and quantification, lattice parameter determination and structure refinement. Until recently structure solution has been the almost exclusive domain of single crystal diffraction methods, predominantly using x-rays. The increasing use of synchrotron and neutron sources, and the unrelenting advances in computing hardware and software means that powder methods are challenging single crystal methods as a practical method for structure solution, especially when single crystal method can not be applied. It is known that structural refinements from a known starting structure using combined X-ray and neutron data sets are capable of providing highly accurate structures. Likewise, using combined x-ray and neutron powder diffraction data in the structure solution process should also be a powerful technique, although to date no one is pursuing this methodology. This paper present examples of solutions to the problem. Namely we are using high resolution powder X-ray and neutron methods to solve the structures of molecular materials and minerals, then refining the structures using both sets of data. In this way we exploit the advantages of both methods while minimising the disadvantages. We present our solution for a small amino acid structure, a metalorganic and a mineral structure

Synchrotron X-ray adaptative monochromator: study and realization of a prototype

International Nuclear Information System (INIS)

Dezoret, D.

1995-01-01

This work presents a study of a prototype of a synchrotron X-ray monochromator. The spectral qualities of this optic are sensitive to the heat loads which are particularly important on third synchrotron generation like ESRF. Indeed, powers generated by synchrotron beams can reach few kilowatts and power densities about a few tens watts per square millimeters. The mechanical deformations of the optical elements of the beamlines issue issue of the heat load can damage their spectral efficiencies. In order to compensate the deformations, wa have been studying the transposition of the adaptive astronomical optics technology to the x-ray field. First, we have considered the modifications of the spectral characteristics of a crystal induced by x-rays. We have established the specifications required to a technological realisation. Then, thermomechanical and technological studies have been required to transpose the astronomical technology to an x-ray technology. After these studies, we have begun the realisation of a prototype. This monochromator is composed by a crystal of silicon (111) bonded on a piezo-electric structure. The mechanical control is a loop system composed by a infrared light, a Shack-Hartmann CDD and wave front analyser. This system has to compensate the deformations of the crystal in the 5 kcV to 60 kcV energy range with a power density of 1 watt per square millimeters. (authors)

Combined optic system based on polycapillary X-ray optics and single-bounce monocapillary optics for focusing X-rays from a conventional laboratory X-ray source

Energy Technology Data Exchange (ETDEWEB)

Sun, Xuepeng; 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); Yi, Longtao; Sun, Weiyuan; Li, Fangzuo; Jiang, Bowen [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)

2015-12-01

Two combined optic systems based on polycapillary X-ray optics and single-bounce monocapillary optics (SBMO) were designed for focusing the X-rays from a conventional laboratory X-ray source. One was based on a polycapillary focusing X-ray lens (PFXRL) and a single-bounce ellipsoidal capillary (SBEC), in which the output focal spot with the size of tens of micrometers of the PFXRL was used as the “virtual” X-ray source for the SBEC. The other system was based on a polycapillary parallel X-ray lens (PPXRL) and a single-bounce parabolic capillary (SBPC), in which the PPXRL transformed the divergent X-ray beam from an X-ray source into a quasi-parallel X-ray beam with the divergence of sever milliradians as the incident illumination of the SBPC. The experiment results showed that the combined optic systems based on PFXRL and SBEC with a Mo rotating anode X-ray generator with the focal spot with a diameter of 300 μm could obtain a focal spot with the total gain of 14,300 and focal spot size of 37.4 μm, and the combined optic systems based on PPXRL and SBPC with the same X-ray source mentioned above could acquire a focal spot with the total gain of 580 and focal spot size of 58.3 μm, respectively. The two combined optic systems have potential applications in micro X-ray diffraction, micro X-ray fluorescence, micro X-ray absorption near edge structure, full field X-ray microscopes and so on.

Soft X-ray excited colour-centre luminescence and XANES studies of calcium oxide

International Nuclear Information System (INIS)

Ko, J.Y.P.; Heigl, F.; Yiu, Y.M.; Zhou, X.-T.; Regier, T.; Blyth, R.I.R.; Sham, T.-K.

2007-01-01

In this study, we show that colour centres can be produced by irradiating calcium oxide with soft X-rays from a synchrotron radiation source. Using the X-ray excited optical Iuminescence (XEOL) technique, two colour centres, F-centre, and F + -centre can be identified. These colour centres emit photons at characteristic wavelengths. In addition, by performing time-resolved XEOL (TRXEOL), we are able to reveal timing and decay characteristics of the colour centres. We also present X-ray absorption near-edge structure (XANES) spectra collected across oxygen K-edge, calcium L 3,2 -edge, and calcium K-edge. Experimental results are compared with density functional theory (DFT) calculations. (author)

A multiple CCD X-ray detector and its first operation with synchrotron radiation X-ray beam

CERN Document Server

Suzuki, M; Kumasaka, T; Sato, K; Toyokawa, H; Aries, I F; Jerram, P A; Ueki, T

1999-01-01

A 4x4 array structure of 16 identical CCD X-ray detector modules, called the multiple CCD X-ray detector system (MCCDX), was submitted to its first synchrotron radiation experiment at the protein crystallography station of the RIKEN beamline (BL45XU) at the SPring-8 facility. An X-ray diffraction pattern of cholesterol powder was specifically taken in order to investigate the overall system performance.

Phase-contrast X-ray CT

Energy Technology Data Exchange (ETDEWEB)

Momose, Atsushi [Hitachi Ltd., Saitama (Japan). Advanced Research Laboratory; Takeda, Tohoru; Itai, Yuji

1995-12-01

Phase-contrast X-ray computed tomography (CT) enabling the observation of biological soft tissues without contrast enhancement has been developed. The X-ray phase shift caused by an object is measured and input to a standard CT reconstruction algorithm. A thousand times increase in the image sensitivity to soft tissues is achieved compared with the conventional CT using absorption contrast. This is because the X-ray phase shift cross section of light elements is about a thousand times larger than the absorption cross section. The phase shift is detected using an X-ray interferometer and computer analyses of interference patterns. Experiments were performed using a synchrotron X-ray source. Excellent image sensitivity is demonstrated in the observation of cancerous rabbit liver. The CT images distinguish cancer lesion from normal liver tissue and, moreover, visualize the pathological condition in the lesion. Although the X-ray energy employed and the present observation area size are not suitable for medical applications as they are, phase-contrast X-ray CT is promising for investigating the internal structure of soft tissue which is almost transparent for X-rays. The high sensitivity also provides the advantage of reducing X-ray doses. (author).

Crystal and electronic structure study of AgAu and AgCu bimetallic alloy thin films by X-ray techniques

Energy Technology Data Exchange (ETDEWEB)

Ozkendir, O. Murat, E-mail: ozkendir@gmail.com [Mersin University, Faculty of Technology, Energy Systems Engineering, Tarsus (Turkey); Mersin University, Institute of Natural Science, Department of Nanotechnology and Advanced Materials, Mersin (Turkey); Cengiz, E. [Karadeniz Technical University, Faculty of Science, Department of Physics, Trabzon (Turkey); Yalaz, E. [Mersin University, Institute of Natural Science, Department of Nanotechnology and Advanced Materials, Mersin (Turkey); Söğüt, Ö.; Ayas, D.H. [Kahramanmaraş Sütçü İmam Üniversitesi, Faculty of Science and Letters, Department of Physics, Kahramanmaraş (Turkey); Thammajak, B. Nirawat [Synchrotron Light Research Institute (Public Organisation), 111 University Avenue, T. Suranaree, A. Muang, Nakhon Ratchasima 30000 (Thailand)

2016-05-15

Highlights: • Crystal and electronic properties of bimetallic AgCu and AgAu alloy thin films were studied. • Both AgCu and AgAu bimetallic samples were determined to have cubic crystal geometry. • Strong influence of Cu and Au atoms on the electronic structure of the Ag atoms were determined. - Abstract: Crystal and electronic structure properties of bimetallic AgAu and AgCu alloy thin films were investigated by X-ray spectroscopic techniques. The aim of this study is to probe the influence of Au or Cu atoms on the electronic behaviors of Ag ions in bimetallic alloy materials that yields different crystal properties. To identify the mechanisms causing crystal phase transitions, study were supported by the collected EXAFS (Extended X-ray Absorption Fine Structure) data. Crystal structures of both Cu and Au doped bimetallic Ag samples were determined mainly in cubic geometry with “Fm3m” space group. Through the Ag–Au and Ag–Cu molecular interactions during bimetallic alloy formations, highly overlapped electronic levels that supports large molecular band formations were observed with different ionization states. Besides, traces of the d–d interactions in Au rich samples were determined as the main interplay in the broad molecular bond formations. The exact atomic locations and types in the samples were determined by EXAFS studies and supported by the performed calculations with FEFF scientific code.

Single crystal X-ray structure of the artists’ pigment zinc yellow

DEFF Research Database (Denmark)

Simonsen, Kim Pilkjær; Christiansen, Marie Bitsch; Vinum, Morten Gotthold

2017-01-01

electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS), attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR), and powder X-ray diffraction (PXRD), showed that the synthesised products and the industrial pigment were identical. Single-crystal X-ray crystallography......The artists’ pigment zinc yellow is in general described as a complex potassium zinc chromate with the empirical formula 4ZnCrO4·K2O·3H2O. Even though the pigment has been in use since the second half of the 19th century also in large-scale industrial applications, the exact structure had hitherto...... been unknown. In this work, zinc yellow was synthesised by precipitation from an aqueous solution of zinc nitrate and potassium chromate under both neutral and basic conditions, and the products were compared with the pigment used in industrial paints. Analyses by Raman microscopy (MRS), scanning...

Extended X-ray absorption fine structure studies of impulsive-type hardening in the heavily Be-doped ZnSe ternaries

Energy Technology Data Exchange (ETDEWEB)

Khan, Shabina; Singh, Pankaja [Barkatullah University, Bhopal (India); Mazher, Javed [Addis Ababa University, Addis Ababa (Ethiopia)

2014-02-15

Inherently soft zinc-selenides have been hardened through beryllium doping. High-quality stoichiometric ternaries of Be{sub x}Zn{sub 1-x}Se have been synthesized by using the Bridgeman technique. State-of-art X-ray absorption spectroscopy is performed by varying the concentration of the cationic dopant, Be, from 6% to 55% in the host ZnSe. Extended X-ray absorption fine structure analyses are carried out to study the next-neighbor and next nearest neighbor atomic positions, nature of the substitutional doping, extent of bond length homogeneity, the presence of involuntary contrast among path distances, and the crossover from a soft to a hard character of the ternary with increasing Be concentration. Our results indicate the presence of a non-regular impulsive hardening in the ternary with a disparity at the lower and the higher Be-doping levels, which are discussed vis-a-vis self-accommodation of substitutional dopants in the host lattice.

From laser-plasma accelerators to femtosecond X-ray sources: study, development and applications

International Nuclear Information System (INIS)

Corde, S.

2012-01-01

During the relativistic interaction between a short and intense laser pulse and an underdense plasma, electrons can be injected and accelerated up to hundreds of MeV in an accelerating structure formed in the wake of the pulse: this is the so-called laser-plasma accelerator. One of the major perspectives for laser-plasma accelerators resides in the realization of compact sources of femtosecond x-ray beams. In this thesis, two x-ray sources was studied and developed. The betatron radiation, intrinsic to laser-plasma accelerators, comes from the transverse oscillations of electrons during their acceleration. Its characterization by photon counting revealed an x-ray beam containing 10"9 photons, with energies extending above 10 keV. We also developed an all-optical Compton source producing photons with energies up to hundreds of keV, based on the collision between a photon beam and an electron beam. The potential of these x-ray sources was highlighted by the realization of single shot phase contrast imaging of a biological sample. Then, we showed that the betatron x-ray radiation can be a powerful tool to study the physics of laser-plasma acceleration. We demonstrated the possibility to map the x-ray emission region, which gives a unique insight into the interaction, permitting us for example to locate the region where electrons are injected. The x-ray angular and spectral properties allow us to gain information on the transverse dynamics of electrons during their acceleration. (author)

Extended x-ray absorption fine structure (EXAFS): a novel probe for local structure of glassy solids

International Nuclear Information System (INIS)

Wong, J.

1979-01-01

The extended x-ray absorption fine structure (EXAFS) is the oscillation in the absorption coefficient extending a few hundred eVs on the high energy side of an x-ray absorption edge. This mode of spectroscopy has recently been realized to be a powerful tool in probing the local atomic structure of all states of matter, particularly with the advent of intense synchrotron radiation. More importantly is the unique ability of EXAFS to probe the structure and dynamics around individual atomic species in a multi-atomic system. In this paper, the physical processes associated with the EXAFS phenomenon will be discussed. Experimental results obtained at the Stanford Synchrotron Radiation Laboratory on some oxide and metallic glasses will be presented. The local structure in these materials are elucidated using a Fourier transform technique

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

International Nuclear Information System (INIS)

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

2011-01-01

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

X-ray imaging with compound refractive lens and microfocus X-ray tube

OpenAIRE

Pina, Ladislav; Dudchik, Yury; Jelinek, Vaclav; Sveda, Libor; Marsik, Jiri; Horvath, Martin; Petr, Ondrej

2008-01-01

Compound refractive lenses (CRL), consisting of a lot number in-line concave microlenses made of low-Z material were studied. Lenses with focal length 109 mm and 41 mm for 8-keV X-rays, microfocus X-ray tube and X-ray CCD camera were used in experiments. Obtained images show intensity distribution of magnified microfocus X-ray source focal spot. Within the experiments, one lens was also used as an objective lens of the X-ray microscope, where the copper anode X-ray microfocus tube served as a...

Small-angle X-ray-scattering investigation and structural-model study of the fatty-acid synthetase from pig liver

International Nuclear Information System (INIS)

Folkhard, W.; Felser, B.; Pilz, I.; Kratky, O.; Dutler, H.; Vogel, H.

1977-01-01

The structure of the fatty acid synthetase from pig liver was studied on models based upon structural and functional properties selected from pertinent results available from numerous investigations carried out with fatty acid synthetase from this and other sources. When comparing small-angle X-ray-scattering curves calculated with these models and curves obtained from small-angle X-ray-scattering experiments carried out with the pig-liver enzyme, we tried to select a model which would lead to an acceptable correlation between the calculated and the experimental curves and at the same time fulfil the known structural and the functional requirements. The comparison of the curves was started with a model of low complexity. The observed discrepancy, together with arguments from the structural and the functional properties, helped decide which is the next most reasonable model to be considered. This procedure was repeated for five models of increasing complexity. In the model which led to the best fit the multienzyme complex is composed of two halves in an asymmetric conformation including hollow spaces. This highly anisotropic model would imply that the two halves change their conformation each time a synthetic cycle is completed and that the growing fatty acid is handed over from one half to the other. (orig.) [de

X-ray image subtracting system

International Nuclear Information System (INIS)

Wesbey, W.H.; Keyes, G.S.; Georges, J.-P.J.

1982-01-01

An X-ray image subtracting system for making low contrast structures in the images more conspicuous is described. An X-ray source projects successive high and low energy X-ray beam pulses through a body and the resultant X-ray images are converted to optical images. Two image pick-up devices such as TV cameras that have synchronously operated shutters receive the alternate images and convert them to corresponding analog video signals. In some embodiments, the analog signals are converted to a matrix of digital pixel signals that are variously processed and subtracted and converted to signals for driving a TV monitor display and analog storage devices. In other embodiments the signals are processed and subtracted in analog form for display. The high and low energy pulses can follow each other immediately so good registration between subtracted images is obtainable even though the anatomy is in motion. The energy levels of the X-ray pulses are chosen to maximize the difference in attenuation between the anatomical structure which is to be subtracted out and that which remains. (author)

Quantitative x-ray structure determination of superlattices and interfaces

International Nuclear Information System (INIS)

Schuller, I.K.; Fullerton, E.E.

1990-01-01

This paper presents a general procedure for quantitative structural refinement of superlattice structures. To analyze a wide range of superlattices, the authors have derived a general kinematical diffraction formula that includes random, continuous and discrete fluctuations from the average structure. By implementing a non-linear fitting algorithm to fit the entire x-ray diffraction profile, refined parameters that describe the average superlattice structure, and deviations from this average are obtained. The structural refinement procedure is applied to a crystalline/crystalline Mo/Ni superlattices and crystalline/amorphous Pb/Ge superlattices. Roughness introduced artificially during growth in Mo/Ni superlattices is shown to be accurately reproduced by the refinement

Structural analysis of radiation damage in zircon and thorite: An X-ray absorption spectroscopic study

International Nuclear Information System (INIS)

Farges, F.; Calas, G.

1991-01-01

Metamictization effects have been investigated in zircon, thorite, uranothorite, and thorogummite using X-ray absorption spectroscopy at Zr-K, Th-L III edges. Extended X-ray absorption fine structure (EXAFS) spectra of metamict samples are characterized by a major contribution due to the O nearest neighbors with some contributions from next-nearest neighbors (Si and Zr in zircon, Si in thorite). In zircon, Zr-O distances decrease by ∼0.1 angstrom while the coordination number of Zr decreases from 8 to 7. In contrast, the eightfold coordination of Th in crystalline thorite is preserved in metamict thorite, Si second neighbors around Zr or Th are generally observed in metamict samples with distances close to those measured in crystalline phases. No other contribution to EXAFS is observed in thorite, but Zr-Zr distances are observed in zircon. They decrease by ca. 0.3 Angstrom as a function of zircon metamictization. Metamictization processes are characterized by a loss of medium range order. There is no evidence for decomposition into crystalline oxides. The structural interpretation of EXAFS data must take into account the creation of O vacancies arising from a displacement or tilting of the SiO 4 tetrahedra during metamictization of zircon-like structures. If the cation can take a lower coordination number (as in the case of Zr), a coordination change allows the local structure to be partly maintained during metamictization. If not, as for Th, the local structure is rapidly destroyed

Structural transformation of compressed solid Ar: An x-ray diffraction study to 114 GPa

International Nuclear Information System (INIS)

Errandonea, D.; Boehler, R.; Japel, S.; Mezouar, M.; Benedetti, L. R.

2006-01-01

Room temperature angle-dispersive x-ray diffraction measurements on solid Ar up to 114 GPa reveal evidence of a structural phase transformation after stress relaxation by laser heating. Beyond 49.6 GPa, Ar exhibits the coexistence of fcc and hcp phases with an increasing hcp/fcc ratio, similar to the observation made recently on krypton and xenon. From the present results, we estimate the fcc-to-hcp transition to be completed at 300 GPa

a Synoptic Study of AN X-Ray Nova in Outburst

Science.gov (United States)

McClintock, Jeffrey

Optical studies of X-ray novae in quiescence have yielded compelling evidence for black holes in binary systems. However, X-ray studies in quiescence are severely constrained by the near absence of high energy emission. Thus, further observational advances in black hole astrophysics require a substantial commitment to observe X-ray novae in outburst in just that spectral range accessible to XTE. We propose an agressive campaign of X-ray observations of the next non-pulsing X-ray nova that rises above 3 Crab at 2-10 keV. We further propose a coordinated and intensive campaign of optical and radio observations covering both hemispheres. The observations will provide a full temporal and spectral view of the outburst cycle.

Electronic structure of molecules of substituted benzenes by x-ray spectroscopy. I. Nitrobenzene

International Nuclear Information System (INIS)

Yumatov, V.D.; Murakhtanov, V.V.; Salakhutdinov, N.F.; Okotrub, A.V.; Mazalov, L.N.; Logunova, L.G.; Koptyug, V.A.; Furin, G.G.

1988-01-01

The electronic structure of the nitrobenzene molecule has been studied by x-ray spectroscopy with the aid of quantum-chemical calculations. The structure of the molecular orbitals of nitrobenzene has been compared with the structure of benzene and nitrogen dioxide. It has been shown in the framework of a fragment-by-fragment analysis that the interaction of the highest occupied π orbitals of the benzene ring and the nitro group is weak

Structural characterization of cellulosic materials using x-ray and neutron scattering

Energy Technology Data Exchange (ETDEWEB)

Penttila, P.

2013-11-01

Cellulosic biomass can be used as a feedstock for sustainable production of biofuels and various other products. A complete utilization of the raw material requires understanding on its structural aspects and their role in the various processes. In this thesis, x-ray and neutron scattering methods were applied to study the structure of various cellulosic materials and how they are affected in different processes. The obtained results were reviewed in the context of a model for the cellulose nanostructure. The dimensions of cellulose crystallites and the crystallinity were determined with wide-angle x-ray scattering (WAXS), whereas the nanoscale fibrillar structure of cellulose was characterized with small-angle x-ray and neutron scattering (SAXS and SANS). The properties determined with the small-angle scattering methods included specific surface areas and distances characteristic of the packing of cellulose microfibrils. Also other physical characterization methods, such as x-ray microtomography, infrared spectroscopy, and solid-state NMR were utilized in this work. In the analysis of the results, a comprehensive understanding of the structural changes throughout a range of length scales was aimed at. Pretreatment of birch sawdust by pressurized hot water extraction was observed to increase the crystal width of cellulose, as determined with WAXS, even though the cellulose crystallinity was slightly decreased. A denser packing of microfibrils caused by the removal of hemicelluloses and lignin in the extraction was evidenced by SAXS. This resulted in the opening of new pores between the microfibril bundles and an increase of the specific surface area. Enzymatic hydrolysis of microcrystalline cellulose (MCC) did not lead to differences in the average crystallinity or crystal size of the hydrolysis residues, which was explained to be caused by limitations due to the large size of the enzymes as compared to the pores inside the fibril aggregates. The SAXS intensities

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...

Monoalkylated barbiturate derivatives: X-ray crystal structure, theoretical studies, and biological activities

Science.gov (United States)

Barakat, Assem; Al-Majid, Abdullah Mohammed; Soliman, Saied M.; Islam, Mohammad Shahidul; Ghawas, Hussain Mansur; Yousuf, Sammer; Choudhary, M. Iqbal; Wadood, Abdul

2017-08-01

Barbiturate derivatives are privileged structures with a broad range of pharmaceutical applications. We prepared a series of 5-monoalkylated barbiturate derivatives (3a-l) and evaluated, in vitro, their antioxidant (DPPH assay), and α-glucosidase inhibitory activities. Compounds 3a-l were synthesized via Michael addition. The structure of compound 3k was determined using X-ray single-crystal diffraction, and geometric parameters were calculated using density functional theory at the B3LYP/6-311G(d,p) level of theory. Further, the structural analysis of 3k were also investigated. Biological studies revealed that compounds 3b (IC50 = 133.1 ± 3.2 μM), 3d (IC50 = 305 ± 7.7 μM), and 3e (IC50 = 184 ± 2.3 μM) have potent α-glucosidase enzyme inhibitors and showed greater activity than the standard drug acarbose (IC50 = 841 ± 1.73 μM). Compounds 3a-3i were found to show weak antioxidant activity against 1,1-diphenyl-2-picryl-hydrazyl (DPPH) radicals (IC50 = 91 ± 0.75 to 122 ± 1.0 μM) when tested against a standard antioxidant, gallic acid (IC50 = 23 ± 0.43 μM).

X-ray filter for x-ray powder diffraction

Science.gov (United States)

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

2018-01-23

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

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

International Nuclear Information System (INIS)

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

1989-04-01

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

Ag on Ge(111): 2D x-ray structure analysis of the #sq root#3 x #sq root#3 superstructure

DEFF Research Database (Denmark)

Dornisch, D.; Moritz, W.; Schulz, H.

1992-01-01

We have studied the Ag/Ge(111) square-root 3 x square-root 3 superstructure by grazing-incidence X-ray diffraction. In our structural analysis we find striking similarities to the geometry of Au on Si(111). The Ag atoms form trimer clusters with an Ag-Ag distance of 2.94 +/- 0.04 angstrom...

Novel X-ray telescopes for wide-field X-ray monitoring

International Nuclear Information System (INIS)

Hudec, R.; Inneman, A.; Pina, L.; Sveda, L.

2005-01-01

We report on fully innovative very wide-field of view X-ray telescopes with high sensitivity as well as large field of view. The prototypes are very promising, allowing the proposals for space projects with very wide-field Lobster-eye X-ray optics to be considered. The novel telescopes will monitor the sky with unprecedented sensitivity and angular resolution of order of 1 arcmin. They are expected to contribute essentially to study and to understand various astrophysical objects such as AGN, SNe, Gamma-ray bursts (GRBs), X-ray flashes (XRFs), galactic binary sources, stars, CVs, X-ray novae, various transient sources, etc. The Lobster optics based X-ray All Sky Monitor is capable to detect around 20 GRBs and 8 XRFs yearly and this will surely significantly contribute to the related science

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

International Nuclear Information System (INIS)

Stangl, J.

2003-01-01

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

X-ray and Neutron Diffraction in the Study of Organic Crystalline Hydrates

Directory of Open Access Journals (Sweden)

Katharina Fucke

2010-07-01

Full Text Available A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the molecular conformation, packing and hydrogen bonding in the crystal structure, while powder X-ray diffraction on bulk material can trace hydration/dehydration processes and phase transitions under non-ambient conditions. Neutron diffraction is a valuable complementary technique to X-ray diffraction and gives highly accurate hydrogen atom positions due to the interaction of the radiation with the atomic nuclei. Although not yet often applied to organic hydrates, neutron single crystal and neutron powder diffraction give precise structural data on hydrogen bonding networks which will help explain why hydrates form in the first place.

X-ray fractographic study on fatigue fracture surface of structural steels

International Nuclear Information System (INIS)

Ogura, Keiji; Miyoshi, Yoshio; Kawaguchi, Masahiro; Kayama, Masahiro.

1985-01-01

An X-ray fractographic study was made on the fatigue fracture surface of the structural steels with various strength levels. An emphasis was put on examining the effect of strength level on the residual stress and half-value breadth on and under the fracture surface. It was found that the residual stress on the fracture surface was controlled by Ksub(max) in a low Ksub(max) or ΔK region (Region I), while it was controlled by ΔK rather than Ksub(max) in a high Ksub(max) or ΔK region (Region III). It was also found that another transitional region (Region II) was observed between these two regions in SNCM 815 steel. An explanation for all these behavior was discussed by a proposed model. The distribution of the residual stress and half-value breadth under the fracture surface was found to be usefull for estimating the value of Ksub(max), although the distribution itself was strongly influenced by strength level, particularly the work-softening behavior, of the materials. (author)

X-ray and γ-ray spectroscopy of solids under pressure

International Nuclear Information System (INIS)

Ingalls, R.L.

1990-01-01

This report briefly describes our studies of various materials at high pressures by means of x-ray and γ-ray absorption spectroscopy. High pressure provides a very effective means of studying materials. Virtually every property is altered from the color and crystal structure to the electrical and magnetic properties. The fundamental reason, of course, is that the quantum levels depend upon the atomic spacing so that both the electronic and vibrational structure is affected

Optical studies of massive X-ray binaries

International Nuclear Information System (INIS)

Zuiderwijk, E.J.

1979-01-01

Photometric and spectroscopic studies of several optical counterparts of massive X-ray binaries are presented. Subjects of study were the binary systems:HD77581/4U0900-40 (Vela X-1), HD153919/4U1700-37, Wray 977/4U1223-62 and Sk160/4U0115-74 (=SMC X-1). (Auth.)

In situ synchrotron X-ray diffraction study on epitaxial-growth dynamics of III–V semiconductors

Science.gov (United States)

Takahasi, Masamitu

2018-05-01

The application of in situ synchrotron X-ray diffraction (XRD) to the molecular-beam epitaxial (MBE) growth of III–V semiconductors is overviewed along with backgrounds of the diffraction theory and instrumentation. X-rays are sensitive not only to the surface of growing films but also to buried interfacial structures because of their large penetration depth. Moreover, a spatial coherence length up to µm order makes X-rays widely applicable to the characterization of low-dimensional structures, such as quantum dots and wires. In situ XRD studies during growth were performed using an X-ray diffractometer, which was combined with an MBE chamber. X-ray reciprocal space mapping at a speed matching a typical growth rate was achieved using intense X-rays available from a synchrotron light source and an area detector. The importance of measuring the three-dimensional distribution of XRD intensity in a reciprocal space map is demonstrated for the MBE growth of two-, one-, and zero-dimensional structures. A large amount of information about the growth process of two-dimensional InGaAs/GaAs(001) epitaxial films has been provided by three-dimensional X-ray reciprocal mappings, including the anisotropic strain relaxation, the compositional inhomogeneity, and the evolution of surface and interfacial roughness. For one-dimensional GaAs nanowires grown in a Au-catalyzed vapor-liquid–solid mode, the relationship between the diameter of the nanowires and the formation of polytypes has been suggested on the basis of in situ XRD measurements. In situ three-dimensional X-ray reciprocal space mapping is also shown to be useful for determining the lateral and vertical sizes of self-assembled InAs/GaAs(001) quantum dots as well as their internal strain distributions during growth.

X-ray fluorescence imaging with polycapillary X-ray optics

International Nuclear Information System (INIS)

Yonehara, Tasuku; Yamaguchi, Makoto; Tsuji, Kouichi

2010-01-01

X-ray fluorescence spectrometry imaging is a powerful tool to provide information about the chemical composition and elemental distribution of a specimen. X-ray fluorescence spectrometry images were conventionally obtained by using a μ-X-ray fluorescence spectrometry spectrometer, which requires scanning a sample. Faster X-ray fluorescence spectrometry imaging would be achieved by eliminating the process of sample scanning. Thus, we developed an X-ray fluorescence spectrometry imaging instrument without sample scanning by using polycapillary X-ray optics, which had energy filter characteristics caused by the energy dependence of the total reflection phenomenon. In the present paper, we show that two independent straight polycapillary X-ray optics could be used as an energy filter of X-rays for X-ray fluorescence. Only low energy X-rays were detected when the angle between the two optical axes was increased slightly. Energy-selective X-ray fluorescence spectrometry images with projection mode were taken by using an X-ray CCD camera equipped with two polycapillary optics. It was shown that Fe Kα (6.40 keV) and Cu Kα (8.04 keV) could be discriminated for Fe and Cu foils.