WorldWideScience

Sample records for nmr x-ray scattering

  1. Small angle X-ray scattering and 31P NMR studies on the phase behavior of phospholipid bilayered mixed micelles

    Science.gov (United States)

    Bolze, Jörg; Fujisawa, Tetsuro; Nagao, Takashi; Norisada, Kazushi; Saitô, Hazime; Naito, Akira

    2000-10-01

    The phase behavior of lipid bilayered micelles (`bicelles') (dimyristoyl-phosphatidylcholine, DMPC/dihexanoyl-phosphatidyl-choline, DHPC 2.6/1) has been studied by small angle X-ray scattering and 31P NMR. Below 3% w/v the bilayers are arranged in tightly packed stacks. At intermediate concentrations single units are observed, whereas at 24% w/v and higher, weak stacking occurs again. The DMPC/DHPC ratio in the bicelles strongly increases at low concentration, which is correlated with an increase in the bicelle size and stacking. The increase of the order parameter in a magnetic field is related to the stack formation. Below 297 K there is no stacking at any concentration and no magnetic alignment.

  2. Quantitative Characterization of Configurational Space Sampled by HIV-1 Nucleocapsid Using Solution NMR, X-ray Scattering and Protein Engineering.

    Science.gov (United States)

    Deshmukh, Lalit; Schwieters, Charles D; Grishaev, Alexander; Clore, G Marius

    2016-06-03

    Nucleic-acid-related events in the HIV-1 replication cycle are mediated by nucleocapsid, a small protein comprising two zinc knuckles connected by a short flexible linker and flanked by disordered termini. Combining experimental NMR residual dipolar couplings, solution X-ray scattering and protein engineering with ensemble simulated annealing, we obtain a quantitative description of the configurational space sampled by the two zinc knuckles, the linker and disordered termini in the absence of nucleic acids. We first compute the conformational ensemble (with an optimal size of three members) of an engineered nucleocapsid construct lacking the N- and C-termini that satisfies the experimental restraints, and then validate this ensemble, as well as characterize the disordered termini, using the experimental data from the full-length nucleocapsid construct. The experimental and computational strategy is generally applicable to multidomain proteins. Differential flexibility within the linker results in asymmetric motion of the zinc knuckles which may explain their functionally distinct roles despite high sequence identity. One of the configurations (populated at a level of ≈40 %) closely resembles that observed in various ligand-bound forms, providing evidence for conformational selection and a mechanistic link between protein dynamics and function.

  3. Structural characterization of a flexible two-domain protein in solution using small angle X-ray scattering and NMR data.

    Science.gov (United States)

    Lemak, Alexander; Wu, Bin; Yee, Adelinda; Houliston, Scott; Lee, Hsiau-Wei; Gutmanas, Aleksandras; Fang, Xianyang; Garcia, Maite; Semesi, Anthony; Wang, Yun-Xing; Prestegard, James H; Arrowsmith, Cheryl H

    2014-12-02

    Multidomain proteins in which individual domains are connected by linkers often possess inherent interdomain flexibility that significantly complicates their structural characterization in solution using either nuclear magnetic resonance (NMR) spectroscopy or small-angle X-ray scattering (SAXS) alone. Here, we report a protocol for joint refinement of flexible multidomain protein structures against NMR distance and angular restraints, residual dipolar couplings, and SAXS data. The protocol is based on the ensemble optimization method principle (Bernadó et al., 2007) and is compared with different refinement strategies for the structural characterization of the flexible two-domain protein sf3636 from Shigella flexneri 2a. The results of our refinement suggest the existence of a dominant population of configurational states in solution possessing an overall elongated shape and restricted relative twisting of the two domains.

  4. Nonlinear X-ray Compton Scattering

    CERN Document Server

    Fuchs, Matthias; Chen, Jian; Ghimire, Shambhu; Shwartz, Sharon; Kozina, Michael; Jiang, Mason; Henighan, Thomas; Bray, Crystal; Ndabashimiye, Georges; Bucksbaum, P H; Feng, Yiping; Herrmann, Sven; Carini, Gabriella; Pines, Jack; Hart, Philip; Kenney, Christopher; Guillet, Serge; Boutet, Sebastien; Williams, Garth; Messerschmidt, Marc; Seibert, Marvin; Moeller, Stefan; Hastings, Jerome B; Reis, David A

    2015-01-01

    X-ray scattering is a weak linear probe of matter. It is primarily sensitive to the position of electrons and their momentum distribution. Elastic X-ray scattering forms the basis of atomic structural determination while inelastic Compton scattering is often used as a spectroscopic probe of both single-particle excitations and collective modes. X-ray free-electron lasers (XFELs) are unique tools for studying matter on its natural time and length scales due to their bright and coherent ultrashort pulses. However, in the focus of an XFEL the assumption of a weak linear probe breaks down, and nonlinear light-matter interactions can become ubiquitous. The field can be sufficiently high that even non-resonant multiphoton interactions at hard X-rays wavelengths become relevant. Here we report the observation of one of the most fundamental nonlinear X-ray-matter interactions, the simultaneous Compton scattering of two identical photons producing a single photon at nearly twice the photon energy. We measure scattered...

  5. X-ray scattering from liquid interfaces

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Synchrotron radiation X-ray scattering is a useful tool for structural characterization of liquid interfaces.Specular refiectivity provides precise measurement of the interfacial widths and of the ordering of surfactants adsorbed to these interfaces. Diffuse scattering gives information on phase transitions and domain formation in surfactant monolayers and on interfacial fluctuations confined by and coupled across fluidic films.

  6. X-ray scattering from dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    McSherry, D.J

    2000-09-01

    Dense plasmas were studied by probing them with kilovolt x-rays and measuring those scattered at various angles. The Laser-Produced x-ray source emitted Ti He alpha 4.75 keV x-rays. Two different plasma types were explored. The first was created by laser driven shocks on either side of a sample foil consisting of 2 micron Al layer, sandwiched between two 1 micron CH layers. We have observed a peak in the x-ray scattering cross section, indicating diffraction from the plasma. However, the experimentally inferred plasma density, broadly speaking, did not always agree with the hydrodynamic simulation MEDX (A modified version of MEDUSA). The second plasma type that we studied was created by soft x-ray heating on either side of a sample foil, this time consisting of 1 micron layer of Al, sandwiched between two 0.2 micron CH layers. Two foil targets, each consisting of a 0.1 micron thick Au foil mounted on 1 micron of CH, where placed 4 mm from the sample foil. The soft x-rays where produced by laser irradiating these two foil targets. We found that, 0.5 ns after the peak of the laser heating pulses, the measured cross sections more closely matched those simulated using the Thomas Fermi model than the Inferno model. Later in time, at 2 ns, the plasma is approaching a weakly coupled state. This is the first time x-ray scattering cross sections have been measured from dense plasmas generated by radiatively heating both sides of the sample. Moreover, these are absolute values typically within a factor of two of expectation for early x-ray probe times. (author)

  7. X-ray scattering from dense plasmas

    Science.gov (United States)

    McSherry, Declan Joseph

    Dense plasmas were studied by probing them with kilovolt x-rays and measuring those scattered at various angles. The laser produced x-ray source emitted Ti He alpha 4.75 keV x-rays. Two different plasma types were explored. The first was created by laser driven shocks on either side of a sample foil consisting of 2 micron thickness of Al, sandwiched between two 1 micron CH layers. We have observed a peak in the x-ray scattering cross section, indicating diffraction from the plasma. However, the experimentally inferred plasma density, did not always agree broadly with the hydrodynamic simulation MEDX (A modified version of MEDUSA). The second plasma type that we studied was created by soft x-ray heating on either side of a sample foil, this time consisting of 1 micron thickness of Al, sandwiched between two 0.2 micron CH layers. Two foil targets, each consisting of a 0.1 micron thick Au foil mounted on 1 micron of CH, were placed 4 mm from the sample foil. The soft x-rays were produced by laser irradiating these two foil targets. We found that, 0.5 ns after the peak of the laser heating pulses, that the measured cross sections more closely matched those simulated using the Thomas Fermi model than the Inferno model. Later in time, at 2 ns, the plasma is approaching a weakly coupled state. This is the first time x-ray scattering cross sections have been measured from dense plasmas generated by radiatively heating both sides of the sample. Moreover, these are absolute values typically within a factor of two of expectation for early x-ray probe times.

  8. Structure of shock compressed model basaltic glass: Insights from O K-edge X-ray Raman scattering and high-resolution 27Al NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sung Keun; Park, Sun Young; Kim, Hyo-Im; Tschauner, Oliver; Asimow, Paul; Bai, Ligang; Xiao, Yuming; Chow, Paul (UNLV); (SNU); (CIT); (CIW)

    2012-05-29

    The detailed atomic structures of shock compressed basaltic glasses are not well understood. Here, we explore the structures of shock compressed silicate glass with a diopside-anorthite eutectic composition (Di{sub 64}An{sub 36}), a common Fe-free model basaltic composition, using oxygen K-edge X-ray Raman scattering and high-resolution {sup 27}Al solid-state NMR spectroscopy and report previously unknown details of shock-induced changes in the atomic configurations. A topologically driven densification of the Di{sub 64}An{sub 36} glass is indicated by the increase in oxygen K-edge energy for the glass upon shock compression. The first experimental evidence of the increase in the fraction of highly coordinated Al in shock compressed glass is found in the {sup 27}Al NMR spectra. This unambiguous evidence of shock-induced changes in Al coordination environments provides atomistic insights into shock compression in basaltic glasses and allows us to microscopically constrain the magnitude of impact events or relevant processes involving natural basalts on Earth and planetary surfaces.

  9. Healing X-ray scattering images

    Directory of Open Access Journals (Sweden)

    Jiliang Liu

    2017-07-01

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

  10. A theoretical study of elastic X-ray scattering

    NARCIS (Netherlands)

    Stewart, Robert F.; Feil, Dirk

    1980-01-01

    Bragg X-ray scattering intensities are defined as scattering by the thermodynamic average electron-charge density. Purely elastic, kinematic X-ray scattering by a target in thermal equilibrium is always larger than Bragg scattering. At low temperatures, the elastic scattering becomes Bragg

  11. 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.

  12. 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.

  13. A physical picture of atomic motions within the Dickerson DNA dodecamer in solution derived from joint ensemble refinement against NMR and large-angle X-ray scattering data.

    Science.gov (United States)

    Schwieters, Charles D; Clore, G Marius

    2007-02-06

    The structure and dynamics of the Dickerson DNA dodecamer [5'd(CGCGAATTCGCG)2] in solution have been investigated by joint simulated annealing refinement against NMR and large-angle X-ray scattering data (extending from 0.25 to 3 A-1). The NMR data comprise an extensive set of hetero- and homonuclear residual dipolar coupling and 31P chemical shift anisotropy restraints in two alignment media, supplemented by NOE and 3J coupling data. The NMR and X-ray scattering data cannot be fully ascribed to a single structure representation, indicating the presence of anisotropic motions that impact the experimental observables in different ways. Refinement with ensemble sizes (Ne) of >or=2 to represent the atomic motions reconciles all the experimental data within measurement error. Cross validation against both the dipolar coupling and X-ray scattering data suggests that the optimal ensemble size required to account for the current data is 4. The resulting ensembles permit one to obtain a detailed view of the conformational space sampled by the dodecamer in solution and permit one to analyze fluctuations in helicoidal parameters, sugar puckers, and BI-BII backbone transitions and to obtain quantitative metrics of atomic motion such as generalized order parameters and thermal B factors. The calculated order parameters are in good agreement with experimental order parameters obtained from 13C relaxation measurements. Although DNA behaves as a relatively rigid rod with a persistence length of approximately 150 bp, dynamic conformational heterogeneity at the base pair level is functionally important since it readily permits optimization of intermolecular protein-DNA interactions.

  14. Incoherent x-ray scattering in single molecule imaging

    CERN Document Server

    Slowik, Jan Malte; Dixit, Gopal; Jurek, Zoltan; Santra, Robin

    2014-01-01

    Imaging of the structure of single proteins or other biomolecules with atomic resolution would be enormously beneficial to structural biology. X-ray free-electron lasers generate highly intense and ultrashort x-ray pulses, providing a route towards imaging of single molecules with atomic resolution. The information on molecular structure is encoded in the coherent x-ray scattering signal. In contrast to crystallography there are no Bragg reflections in single molecule imaging, which means the coherent scattering is not enhanced. Consequently, a background signal from incoherent scattering deteriorates the quality of the coherent scattering signal. This background signal cannot be easily eliminated because the spectrum of incoherently scattered photons cannot be resolved by usual scattering detectors. We present an ab initio study of incoherent x-ray scattering from individual carbon atoms, including the electronic radiation damage caused by a highly intense x-ray pulse. We find that the coherent scattering pa...

  15. Fast sampling model for X-ray Rayleigh scattering

    CERN Document Server

    Grichine, V M

    2013-01-01

    A simple model for X-ray Rayleigh scattering is discussed in terms of the process total cross-section and the angular distribution of scattered X-ray photons. Comparisons with other calculations and experimental data are presented. The model is optimized for the simulation of X-ray tracking inside experimental setups with complex geometry where performance and memory volume are issues to be optimized. (C) 2013 Elsevier B.V. All rights reserved.

  16. X-Ray Absorption and Scattering by Interstellar Grains

    OpenAIRE

    Hoffman, John A.; Draine, Bruce T.

    2015-01-01

    Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. W...

  17. Nanobeam X-ray scattering probing matter at the nanoscale

    CERN Document Server

    Stangl, Julian; Chamard, Virginie; Carbone, Dina

    2013-01-01

    A comprehensive overview of the possibilities and potential of X-ray scattering using nanofocused beams for probing matter at the nanoscale, including guidance on the design of nanobeam experiments. The monograph discusses various sources, including free electron lasers, synchrotron radiation and other portable and non-portable X-ray sources.For scientists using synchrotron radiation or students and scientists with a background in X-ray scattering methods in general.

  18. 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

  19. X-Ray Absorption and Scattering by Interstellar Grains

    CERN Document Server

    Hoffman, John A

    2015-01-01

    Interstellar abundance determinations from fits to X-ray absorption edges often rely on the following false assumptions: (1) the grains are "optically thin" at the observed X-ray wavelengths, and (2) scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. An open...

  20. Magnetic X-Ray Scattering with Synchrotron Radiation

    DEFF Research Database (Denmark)

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

    1986-01-01

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

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

    DEFF Research Database (Denmark)

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

    1992-01-01

    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......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...

  2. Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity

    CERN Document Server

    Abdullah, Malik Muhammad; Son, Sang-Kil; Santra, Robin

    2016-01-01

    We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit we employ a Monte-Carlo (MC)-molecular dynamics (MD)-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units we simulate the diffraction pattern of a crystal larger than the transverse x-ray beam profile, a situation commonly encountered in femtosecond nanocrystallography experiments with focused x-ray free-electron laser radiation. Radiation damage is not spatially uniform and depends on the fluence associated with each specific region inside the crystal. To investigate the effects of uniform and non-uniform fluence distribution we have used two different spatial beam profiles, gaussian and flattop.

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

    DEFF Research Database (Denmark)

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

    1992-01-01

    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......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...

  4. Small Angle X-ray Scattering for Nanoparticle Research.

    Science.gov (United States)

    Li, Tao; Senesi, Andrew J; Lee, Byeongdu

    2016-09-28

    X-ray scattering is a structural characterization tool that has impacted diverse fields of study. It is unique in its ability to examine materials in real time and under realistic sample environments, enabling researchers to understand morphology at nanometer and angstrom length scales using complementary small and wide angle X-ray scattering (SAXS, WAXS), respectively. Herein, we focus on the use of SAXS to examine nanoscale particulate systems. We provide a theoretical foundation for X-ray scattering, considering both form factor and structure factor, as well as the use of correlation functions, which may be used to determine a particle's size, size distribution, shape, and organization into hierarchical structures. The theory is expanded upon with contemporary use cases. Both transmission and reflection (grazing incidence) geometries are addressed, as well as the combination of SAXS with other X-ray and non-X-ray characterization tools. We conclude with an examination of several key areas of research where X-ray scattering has played a pivotal role, including in situ nanoparticle synthesis, nanoparticle assembly, and operando studies of catalysts and energy storage materials. Throughout this review we highlight the unique capabilities of X-ray scattering for structural characterization of materials in their native environment.

  5. Multiple scattering approach to X-ray absorption spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

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

  6. Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity

    OpenAIRE

    Malik Muhammad Abdullah; Zoltan Jurek; Sang-Kil Son; Robin Santra

    2016-01-01

    We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit we employ a Monte-Carlo (MC)-molecular dynamics (MD)-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units we simulate the diffraction pattern of a crystal la...

  7. Coherent methods in X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gorobtsov, Oleg

    2017-05-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-08-11

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

  9. X-ray scattering signatures of β-thalassemia

    Science.gov (United States)

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

    2009-08-01

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

  10. Authentication of vegetable oils by confocal X-ray scattering analysis with coherent/incoherent scattered X-rays.

    Science.gov (United States)

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi

    2016-11-01

    This paper presents an alternative analytical method based on the Rayleigh to Compton scattering intensity ratio and effective atomic number for non-destructive identification of vegetable oils using confocal energy dispersive X-ray fluorescence and scattering spectrometry. A calibration curve for the Rayleigh to Compton scattering intensity ratio and effective atomic number was constructed on the basis of a reliable physical model for X-ray scattering. The content of light elements, which are "invisible" using X-ray fluorescence, can be calculated "by difference" from the calibration curve. In this work, we demonstrated the use of this proposed approach to identify complex organic matrices in different vegetable oils with high precision and accuracy.

  11. Imaging X-ray Thomson Scattering Spectrometer Design and Demonstration

    Energy Technology Data Exchange (ETDEWEB)

    Gamboa, E.J. [University of Michigan; Huntington, C.M. [University of Michigan; Trantham, M.R. [University of Michigan; Keiter, P.A [University of Michigan; Drake, R.P. [University of Michigan; Montgomery, David [Los Alamos National Laboratory; Benage, John F. [Los Alamos National Laboratory; Letzring, Samuel A. [Los Alamos National Laboratory

    2012-05-04

    In many laboratory astrophysics experiments, intense laser irradiation creates novel material conditions with large, one-dimensional gradients in the temperature, density, and ionization state. X-ray Thomson scattering is a powerful technique for measuring these plasma parameters. However, the scattered signal has previously been measured with little or no spatial resolution, which limits the ability to diagnose inhomogeneous plasmas. We report on the development of a new imaging x-ray Thomson spectrometer (IXTS) for the Omega laser facility. The diffraction of x-rays from a toroidally-curved crystal creates high-resolution images that are spatially resolved along a one-dimensional profile while spectrally dispersing the radiation. This focusing geometry allows for high brightness while localizing noise sources and improving the linearity of the dispersion. Preliminary results are presented from a scattering experiment that used the IXTS to measure the temperature profile of a shocked carbon foam.

  12. Warm, Dense Plasma Characterization by X-ray Thomson Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Landen, O L; Glenzer, S H; Cauble, R C; Lee, R W; Edwards, J E; Degroot, J S

    2000-07-18

    We describe how the powerful technique of spectrally resolved Thomson scattering can be extended to the x-ray regime, for direct measurements of the ionization state, density, temperature, and the microscopic behavior of dense cool plasmas. Such a direct measurement of microscopic parameters of solid density plasmas could eventually be used to properly interpret laboratory measurements of material properties such as thermal and electrical conductivity, EUS and opacity. In addition, x-ray Thomson scattering will provide new information on the characteristics of rarely and hitherto difficult to diagnose Fermi degenerate and strongly coupled plasmas.

  13. Electronic Structure of Dense Plasmas by X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gregori, G; Glenzer, S H; Rogers, F J; Pollaine, S M; Froula, D H; Blancard, C; Faussurier, G; Renaudin, P; Kuhlbrodt, S; Redmer, R; Landen, O L

    2003-10-07

    We present an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. We use our theory to interpret x-ray scattering experiments from solid density carbon plasma and to extract accurate measurements of electron temperature, electron density and charge state. We use our experimental results to validate various equation-of-state models for carbon plasmas.

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

    DEFF Research Database (Denmark)

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

    1980-01-01

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

  15. A hard X-ray polarimeter utilizing Compton scattering

    Science.gov (United States)

    Sakurai, H.; Noma, M.; Niizeki, H.

    1991-01-01

    The paper describes a 50-cm-diam prototype of a novel Compton-scattering-type polarimeter for hard X-rays in the energy range 30-100 keV. The characteristics of the prototype polarimeter were investigated for various conditions. It was found that, with polarized X-rays from a simple polarizer, the detection efficiency and the modulation factor of the polarimeter with a 40-mm thick scatterer were 3.2 percent and 0.57 percent, respectively, at about 60 keV.

  16. Time-resolved and in-situ X-ray scattering methods beyond photoactivation: Utilizing high-flux X-ray sources for the study of ubiquitous non-photoactive proteins.

    Science.gov (United States)

    Jain, Rohit; Techert, Simone

    2016-01-01

    X-ray scattering technique, comprising of small-angle/wide-angle X-ray scattering (SAXS/WAXS) techniques is increasingly used to characterize the structure and interactions of biological macromolecules and their complexes in solution. It is a method of choice to characterize the flexible, partially folded and unfolded protein systems. X-ray scattering is the last resort for proteins that cannot be investigated by crystallography or NMR and acts as a complementary technique with different biophysical techniques to answer challenging scientific questions. The marriage of the X-ray scattering technique with the fourth dimension "time" yields structural dynamics and kinetics information for protein motions in hierarchical timescales from picoseconds to days. The arrival of the high-flux X-ray beam at third generation synchrotron sources, exceptional X-ray optics, state-of-the-art detectors, upgradation of X-ray scattering beamlines with microfluidics devices and advanced X-ray scattering data analysis procedures are the important reasons behind the shining years of X-ray scattering technique. The best days of the X-ray scattering technique are on the horizon with the advent of the nanofocus X-ray scattering beamlines and fourth generation X-ray lightsources, i.e., free electron lasers (XFELs). Complementary to the photon-triggered time-resolved X-ray scattering techniques, we will present an overview of the time-resolved and in-situ X-ray scattering techniques for structural dynamics of ubiquitous non-photoactive proteins.

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

    DEFF Research Database (Denmark)

    Brandt van Driel, Tim

    The dissertation describes the use of Time-Resolved X-ray Diffuse Scattering (TR-XDS) to study photo-induced structural changes in molecules in solution. The application of the technique is exemplified with experiments on two bimetallic molecules. The main focus is on the data-flow and process...... of bringing the data from measurement to analysis. Bridging the experimental design and challenges of the experiments from X-ray synchrotrons to the newly available X-ray Free Electron Laser sources (XFEL).LCLS in California is the first XFEL to come online and delivers intense 30fs X-ray pulses, orders...... of magnitude shorter than the 100ps X-ray pulses available from synchroton sources. This increase in time-resolution allows for the use of X-ray techniques in a completely new time-domain, where coherent photo-induced changes in structure can be studied on their intrinsic time-scale. Measurements on Rh2(dimen...

  18. Basic X-ray scattering for soft matter

    CERN Document Server

    De Jeu, Wim H

    2016-01-01

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

  19. X-ray scattering from surfaces of organic crystals

    DEFF Research Database (Denmark)

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

    1997-01-01

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

  20. Resonance magnetic x-ray scattering study of erbium

    DEFF Research Database (Denmark)

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

    1994-01-01

    The magnetic phases of erbium have been studied by resonance x-ray-scattering techniques. When the incident x-ray energy is tuned near the L(III) absorption edge, large resonant enhancements of the magnetic scattering are observed above 18 K. We have measured the energy and polarization dependence...... of this magnetic scattering and analyzed it using a simple model based on electric dipole and quadrupole transitions among atomic orbitals. The line shapes can be fitted to a magnetic structure combining both c-axis-modulated and basal-plane components. Below 18 K, we have observed unusual behavior of the magnetic...... scattering as a function of energy, whose origin is not understood....

  1. 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.

  2. Resonant magnetic scattering of polarized soft x rays

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

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

  3. Inelastic X-Ray Scattering from Shocked Liquid Deuterium

    Science.gov (United States)

    Regan, S. P.; Falk, K.; Gregori, G.; Radha, P. B.; Hu, S. X.; Boehly, T. R.; Crowley, B. J. B.; Glenzer, S. H.; Landen, O. L.; Gericke, D. O.; Döppner, T.; Meyerhofer, D. D.; Murphy, C. D.; Sangster, T. C.; Vorberger, J.

    2012-12-01

    The Fermi-degenerate plasma conditions created in liquid deuterium by a laser-ablation—driven shock wave were probed with noncollective, spectrally resolved, inelastic x-ray Thomson scattering employing Cl Lyα line emission at 2.96 keV. These first x-ray Thomson scattering measurements of the microscopic properties of shocked deuterium show an inferred spatially averaged electron temperature of 8±5eV, an electron density of 2.2(±0.5)×1023cm-3, and an ionization of 0.8 (-0.25, +0.15). Two-dimensional hydrodynamic simulations using equation-of-state models suited for the extreme parameters occurring in inertial confinement fusion research and planetary interiors are consistent with the experimental results.

  4. Mesoscale Characterization of Nanoparticles Distribution Using X-ray Scattering.

    Science.gov (United States)

    Gommes, Cedric J; Prieto, Gonzalo; Zecevic, Jovana; Vanhalle, Maja; Goderis, Bart; de Jong, Krijn P; de Jongh, Petra E

    2015-09-28

    The properties of many functional materials depend critically on the spatial distribution of an active phase within a support. In the case of solid catalysts, controlling the spatial distribution of metal (oxide) nanoparticles at the mesoscopic scale offers new strategies to tune their performance and enhance their lifetimes. However, such advanced control requires suitable characterization methods, which are currently scarce. Here, we show how the background in small-angle X-ray scattering patterns can be analyzed to quantitatively access the mesoscale distribution of nanoparticles within supports displaying hierarchical porosity. This is illustrated for copper catalysts supported on meso- and microporous silica displaying distinctly different metal distributions. Results derived from X-ray scattering are in excellent agreement with electron tomography. Our strategy opens unprecedented prospects for understanding the properties and to guide the synthesis of a wide array of functional nanomaterials.

  5. Advancing x-ray scattering metrology using inverse genetic algorithms

    Science.gov (United States)

    Hannon, Adam F.; Sunday, Daniel F.; Windover, Donald; Joseph Kline, R.

    2016-07-01

    We compare the speed and effectiveness of two genetic optimization algorithms to the results of statistical sampling via a Markov chain Monte Carlo algorithm to find which is the most robust method for determining real-space structure in periodic gratings measured using critical dimension small-angle x-ray scattering. Both a covariance matrix adaptation evolutionary strategy and differential evolution algorithm are implemented and compared using various objective functions. The algorithms and objective functions are used to minimize differences between diffraction simulations and measured diffraction data. These simulations are parameterized with an electron density model known to roughly correspond to the real-space structure of our nanogratings. The study shows that for x-ray scattering data, the covariance matrix adaptation coupled with a mean-absolute error log objective function is the most efficient combination of algorithm and goodness of fit criterion for finding structures with little foreknowledge about the underlying fine scale structure features of the nanograting.

  6. Neutron and Synchrotron X-Ray Scattering Studies of Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Tranquada,J.M.

    2008-09-01

    Superconductors hold the promise for a more stable and efficient electrical grid, but new isotropic, high-temperature superconductors are needed in order to reduce cable manufacturing costs. The effort to understand high-temperature superconductivity, especially in the layered cuprates, provides guidance to the search for new superconductors. Neutron scattering has long provided an important probe of the collective excitations that are involved in the pairing mechanism. For the cuprates, neutron and x-ray diffraction techniques also provide information on competing types of order, such as charge and spin stripes, that appear to be closely connected to the superconductivity. Recently, inelastic x-ray scattering has become competitive for studying phonons and may soon provide valuable information on electronic excitations. Examples of how these techniques contribute to our understanding of superconductivity are presented.

  7. Neutron and synchrotron x-ray scattering studies of superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Tranquada, J.M.

    2008-10-15

    Superconductors hold the promise for a more stable and efficient electrical grid, but new isotropic, high-temperature superconductors are needed in order to reduce cable manufacturing costs. The effort to understand high-temperature superconductivity, especially in the layered cuprates, provides guidance to the search for new superconductors. Neutron scattering has long provided an important probe of the collective excitations that are involved in the pairing mechanism. For the cuprates, neutron and x-ray diffraction techniques also provide information on competing types of order, such as charge and spin stripes that appear to be closely connected to the superconductivity. Recently, inelastic x-ray scattering has become competitive for studying phonons and may soon provide valuable information on electronic excitations. Examples of how these techniques contribute to our understanding of superconductivity are presented. (au)

  8. Total X-Ray Scattering of Spider Dragline Silk

    Science.gov (United States)

    Benmore, C. J.; Izdebski, T.; Yarger, J. L.

    2012-04-01

    Total x-ray scattering measurements of spider dragline silk fibers from Nephila clavipes, Argiope aurantia, and Latrodectus hesperus all yield similar structure factors, with only small variations between the different species. Wide-angle x-ray scattering from fibers orientated perpendicular to the beam shows a high degree of anisotropy, and differential pair distribution functions obtained by integrating over wedges of the equatorial and meridian planes indicate that, on average, the majority (95%) of the atom-atom correlations do not extend beyond 1 nm. Futhermore, the atom-atom correlations between 1 and 3 nm are not associated with the most intense diffraction peaks at Q=1-2Å-1. Disordered molecular orientations along the fiber axis are consistent with proteins in similar structural arrangements to those in the equatorial plane, which may be associated with the silk’s greater flexibility in this direction.

  9. Band structure approach to the resonant x-ray scattering

    OpenAIRE

    Elfimov, I. S.; Skorikov, N. A.; Anisimov, V. I.; Sawatzky, G.A.

    2001-01-01

    We study the resonance behaviour of the forbidden 600 and 222 x-ray Bragg peaks in Ge using LDA band structure methods. These Bragg peaks remain forbidden in the resonant dipole scattering approximation even taking into account the non local nature of the band states. However they become allowed at resonance if the eigenstates of the unoccupied conduction band involve a hybridization of p like and d like atomic states. We show that the energy dependence of the resonant behaviour, including th...

  10. Polarized X-ray Scattering and Birefringence in Magnetars

    Science.gov (United States)

    Barchas, Joseph; Baring, Matthew G.

    2017-01-01

    Interest in radiative processes in the super-strong magnetic regime germane to magnetars has grown over the last two decades. These processes have an inherently anisotropic and polarization-dependent character. Of particular interest is the resonant cyclotron scattering domain, where the Compton cross section is enhanced by orders of magnitude very near the cyclotron frequency -- for electrons in magnetar atmospheres, this is above 10 MeV in energy, and for protons this can be at 1-10 keV. The Compton process is dominant in the highly optically thick environs of magnetar atmospheres, and also in the magnetospheric locales for the production of the hard X-ray bursts. The detailed forms of X-ray spectra will depend intimately on the character of the Compton cross section and the emission zone geometry. The practical determination of the rate of Compton scattering depends on the polarization configuration of incoming photons. This in turn is sensitive to the details of radiation dispersion and transport in hot plasmaspheres near neutron stars. This birefringent dispersion present in strongly-magnetized plasmas can profoundly influence the determination of scattering probabilities. Such polarization transfer is usually addressed by simplifying to the transfer two normal mode intensities. The assumptions involved in this simplification such as orthonormality and "large Faraday depolarization" are valid for a wide range of parameter space, but are known to break down in important cases, such as near a cyclotron resonance. We explore the polarization transfer problem for Compton scattering including the regime where Faraday depolarization is not large. Accordingly, plasma birefringence and the generalized Faraday effect are considered explicitly as part of the transfer problem. Spectra generated from two Monte Carlo models of the transfer problem are presented, one treating isothermal atmospheres in the normal X-ray band, and the other addressing hard X-ray flares in

  11. X-ray and neutron scattering studies of magnetic critical fluctuations in holmium

    Energy Technology Data Exchange (ETDEWEB)

    Thurston, T.R.; Helgesen, G.; Gibbs, D.; Shirane, G. [Brookhaven National Lab., Upton, NY (United States); Hill, J.P. [Brookhaven National Lab., Upton, NY (United States)]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics; Gaulin, B.D. [Brookhaven National Lab., Upton, NY (United States)]|[McMaster Univ., Hamilton, ON (Canada). Dept. of Physics

    1993-04-01

    We describe measurements of the magnetic critical fluctuations of holmium by x-ray scattering techniques. The x-ray results are compared to those obtained in neutron scattering experiments performed on the same sample.

  12. X-ray and neutron scattering studies of magnetic critical fluctuations in holmium

    Energy Technology Data Exchange (ETDEWEB)

    Thurston, T.R.; Helgesen, G.; Gibbs, D.; Shirane, G. (Brookhaven National Lab., Upton, NY (United States)); Hill, J.P. (Brookhaven National Lab., Upton, NY (United States) Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics); Gaulin, B.D. (Brookhaven National Lab., Upton, NY (United States) McMaster Univ., Hamilton, ON (Canada). Dept. of Physics)

    1993-01-01

    We describe measurements of the magnetic critical fluctuations of holmium by x-ray scattering techniques. The x-ray results are compared to those obtained in neutron scattering experiments performed on the same sample.

  13. Quick-Determination of the Average Atomic Number Z by X-Ray Scattering

    DEFF Research Database (Denmark)

    Kunzendorf, Helmar

    1972-01-01

    X-ray scattering ratio measurements are proposed for a quick determination of the average atomic number of rock powders.......X-ray scattering ratio measurements are proposed for a quick determination of the average atomic number of rock powders....

  14. CHEMICAL APPLICATIONS OF INELASTIC X-RAY SCATTERING

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-08-01

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

  15. Dense Matter Characterization by X-ray Thomson Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Landen, O L; Glenzer, S H; Edwards, M J; Lee, R W; Collins, G W; Cauble, R C; Hsing, W W; Hammel, B A

    2000-12-29

    We discuss the extension of the powerful technique of Thomson scattering to the x-ray regime for providing an independent measure of plasma parameters for dense plasmas. By spectrally-resolving the scattering, the coherent (Rayleigh) unshifted scattering component can be separated from the incoherent Thomson component, which is both Compton and Doppler shifted. The free electron density and temperature can then be inferred from the spectral shape of the high frequency Thomson scattering component. In addition, as the plasma temperature is decreased, the electron velocity distribution as measured by incoherent Thomson scattering will make a transition from the traditional Gaussian Boltzmann distribution to a density-dependent parabolic Fermi distribution to. We also present a discussion for a proof-of-principle experiment appropriate for a high energy laser facility.

  16. INELASTIC X-RAY SCATTERING AT ULTRAHIGH PRESSURES.

    Energy Technology Data Exchange (ETDEWEB)

    MAO, H.K.; HEMLEY, J.; KAO, C.C.

    2000-08-28

    Inelastic x-ray scattering (IXS) provides high-pressure research with an arsenal of analytical capabilities for key measurements that were previously unattainable, and high pressure research provides IXS with numerous applications where the technique has unique advantages over other methods. High-pressure investigations can now be conducted using non-resonant IXS, resonant IXS, nuclear resonant IXS, and x-ray emission spectroscopy with energy resolutions of 100 meV to 1 eV for electronic transitions and 1 to 10 meV for phonon studies. By pressure-tuning materials over a wide range, we are able to investigate fundamental physics of electron gases, strongly correlated electron systems, high-energy electronic excitations, and phonons in energy and momentum space. The results will have a profound influence on materials applications as well as providing basic information for understanding the deep interior of the Earth and other planets.

  17. High duty cycle inverse Compton scattering X-ray source

    Science.gov (United States)

    Ovodenko, A.; Agustsson, R.; Babzien, M.; Campese, T.; Fedurin, M.; Murokh, A.; Pogorelsky, I.; Polyanskiy, M.; Rosenzweig, J.; Sakai, Y.; Shaftan, T.; Swinson, C.

    2016-12-01

    Inverse Compton Scattering (ICS) is an emerging compact X-ray source technology, where the small source size and high spectral brightness are of interest for multitude of applications. However, to satisfy the practical flux requirements, a high-repetition-rate ICS system needs to be developed. To this end, this paper reports the experimental demonstration of a high peak brightness ICS source operating in a burst mode at 40 MHz. A pulse train interaction has been achieved by recirculating a picosecond CO2 laser pulse inside an active optical cavity synchronized to the electron beam. The pulse train ICS performance has been characterized at 5- and 15- pulses per train and compared to a single pulse operation under the same operating conditions. With the observed near-linear X-ray photon yield gain due to recirculation, as well as noticeably higher operational reliability, the burst-mode ICS offers a great potential for practical scalability towards high duty cycles.

  18. Nucleic acid structure characterization by small angle X-ray scattering (SAXS)

    Science.gov (United States)

    Burke, Jordan E.; Butcher, Samuel E.

    2013-01-01

    Small angle X-ray scattering (SAXS) is a powerful method for investigating macromolecular structure in solution. SAXS data provide information about the size and shape of a molecule with a resolution of approximately 2–3 nm. SAXS is particularly useful for the investigation of nucleic acids, which scatter X-rays strongly due to the electron-rich phosphate backbone. Therefore, SAXS has become an increasingly popular method for modeling nucleic acid structures, an endeavor made tractable by the highly regular helical nature of nucleic acid secondary structures. Recently, we used SAXS in combination with NMR to filter and refine all-atom models of a U2/U6 small nuclear RNA complex. In this unit we present general protocols for sample preparation, data acquisition, and data analysis and processing. Additionally, examples of correctly and incorrectly processed SAXS data and expected results are provided. PMID:23255205

  19. Low-angle X-ray scattering from spices

    Energy Technology Data Exchange (ETDEWEB)

    Desouky, O.S. E-mail: omardesouky@yahoo.com; Ashour, Ahmed H.; Abdullah, Mohamed I.; Elshemey, Wael M

    2002-07-01

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

  20. Low-angle X-ray scattering from spices

    Science.gov (United States)

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

    2002-07-01

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

  1. Scanning X-ray nanodiffraction: from the experimental approach towards spatially resolved scattering simulations

    OpenAIRE

    Dubslaff, Martin; Hanke, Michael; Patommel, Jens; Hoppe, Robert; Schroer, Christian G.; Schöder, Sebastian; Burghammer, Manfred

    2012-01-01

    An enhancement on the method of X-ray diffraction simulations for applications using nanofocused hard X-ray beams is presented. We combine finite element method, kinematical scattering calculations, and a spot profile of the X-ray beam to simulate the diffraction of definite parts of semiconductor nanostructures. The spot profile could be acquired experimentally by X-ray ptychography. Simulation results are discussed and compared with corresponding X-ray nanodiffraction experiments on single ...

  2. Femtosecond X-ray scattering in condensed matter

    Energy Technology Data Exchange (ETDEWEB)

    Korff Schmising, Clemens von

    2008-11-24

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

  3. X-RAY SCATTERING STUDIES ON NYLON-1010

    Institute of Scientific and Technical Information of China (English)

    MO Zhishen; YANG Baoquan; XUE Xiaofu; ZHANG Lihua

    1992-01-01

    From Wide-Angle X-ray Scattering (WAXS) pattern of uniaxially orientated fibers, the crystal structure of Nylon-1010 was determined. The Nylon-1010 crystallizes in the tricllinic system, with lattice dimensions: a=4.9A, b=5.4A, c=27.8A, α=49 °, β=77 °,γ=63.5 °, the unit cell contains one monomeric unit and the space group is P1. The degree of crystallinity of polymer was determined as about 60%, using Ruland's method.The structures of Nylon-1010 with different draw ratio have been investigated by using Small-Angle X-ray Scattering (SAXS). The results indicate that the draw ratio of samples has a significant effect on microstructure of Nylon-1010. The long period and thickness of amorphous layer obviously increase but the invariant, average lamellar and interphase zone show almost independent of draw ratio, long period increases because amorphous layer increases with draw ratio. The electron density fluctuation values increased with draw ratio, but inner surface Os is drecreased.

  4. Imaging Nonequilibrium Atomic Vibrations with X-ray Diffuse Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Trigo, M.; Chen, J.; Vishwanath, V.H.; /SLAC; Sheu, Y.M.; /Michigan U.; Graber, T.; Henning, R.; /U. Chicago; Reis, D; /SLAC /Stanford U., Appl. Phys. Dept.

    2011-03-03

    We use picosecond x-ray diffuse scattering to image the nonequilibrium vibrations of the lattice following ultrafast laser excitation. We present images of nonequilibrium phonons in InP and InSb throughout the Brillouin-zone which remain out of equilibrium up to nanoseconds. The results are analyzed using a Born model that helps identify the phonon branches contributing to the observed features in the time-resolved diffuse scattering. In InP this analysis shows a delayed increase in the transverse acoustic (TA) phonon population along high-symmetry directions accompanied by a decrease in the longitudinal acoustic (LA) phonons. In InSb the increase in TA phonon population is less directional.

  5. 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.

  6. X-ray scattering: Liquid metal/vapor interfaces

    Science.gov (United States)

    Pershan, P. S.

    2011-05-01

    We will review the principal x-ray scattering measurements that have been carried out on the free surface of liquid metals over the past two decades. For metals such as K, Ga, In Sn, Bi etc the surface induces well-defined layering with atomic spacing `d' that penetrates into the bulk a distance of the order of the bulk liquid correlation length. As a consequence the angular dependence of the surface structure factor observed by x-ray reflectivity displays a broad peak at wavevector transfer ˜ 2π/ d with a half width that is comparable to the width of the bulk liquid structure factor. Quantitative measurement of this surface structure factor requires correction for a singular Debye-Waller like effect arising from thermally excited capillary waves. For liquid metal alloys the layering is accompanied by chemical segregation (i.e. Gibbs absorption) that can be characterized from the energy dependence of the reflectivity. Particularly interesting are the temperature dependence and elasticity of the two-dimensional surface frozen phases that form on the surface of the Au82Si18 liquid eutectic. Surface freezing, although not observed near the eutectic points of alloys such as Au-Ge, Pd-Ge and Pd-Si, has been observed at the free surface of the glass forming alloy Au49Ag5.5Pd2.3Cu26.9Si16.3.

  7. Small angle X-ray scattering beamline at SSRF

    Institute of Scientific and Technical Information of China (English)

    田丰; 李小芸; 缪夏然; 边风刚; 王吉力; 李秀宏; 王玉柱; 杨春明; 周平; 林金友; 曾建荣; 洪春霞; 滑文强

    2015-01-01

    Beamline BL16B1 at Shanghai Synchrotron Radiation Facility (SSRF) is dedicated to studying the mi-crostructure and dynamic processes of polymers, nanomaterials, mesoporous materials, colloids, liquid crystals, metal materials, etc. At present, SAXS, wide angle X-ray scattering (WAXS), simultaneous SAXS/WAXS, grazing incident SAXS, and anomalous SAXS techniques are available for end user to conduct diverse ex-periments at this beamline. The sample-to-detector distance is adjustable from 0.2 m to 5 m. The practicable q-range is 0.03–3.6 nm−1 at incident X-ray of 10 keV for conventional SAXS whilst a continuous q-region of 0.06–33 nm−1 can be achieved in simultaneous SAXS/WAXS mode. Time-resolved SAXS measurements in sub-second level was achieved by the beamline upgrating in 2013. This paper gives detailed descriptions about the status, performance and applications of the SAXS beamline.

  8. Probing warm dense lithium by inelastic X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Saiz, E.; Riley, D. [School of Mathematics and Physics, Queen' s University of Belfast, Belfast (United Kingdom); Gregori, G. [Clarendon Laboratory, University of Oxford, Parks Road, Oxford (United Kingdom); Gregori, G.; Clarke, R.J.; Neely, D.; Notley, M.M.; Spindloe, C. [Central Laser Facility, Rutherford Appleton Laboratory, Chilton, Didcot, OX (United Kingdom); Gericke, D.O.; Vorberger, J.; Wunsch, K. [Centre for Fusion, Space and Astrophysics, Department of Physics, University of Warwick, Coventry (United Kingdom); Barbrel, B.; Koenig, M. [Laboratoire pour l' Utilisation des Laser Intenses, Ecole Polytechnique - Universite Paris-6, 91 - Palaiseau (France); Freeman, R.R.; Weber, R.L.; Van Woerkom, L. [Department of Physics, The Ohio State University, Columbus, Ohio (United States); Glenzer, S.H.; Landen, O.L.; Neumayer, P.; Price, D. [Lawrence Livermore National Laboratory, Livermore, California (United States); Khattak, F.Y. [Department of Physics, Kohat University of Science and Technology, Kohat-26000, NWFP (Pakistan); Pelka, A.; Roth, M.; Schollmeier, M. [Institut fur Kernphysik, Technische Universitat Darmstadt (Germany)

    2008-10-15

    One of the grand challenges of contemporary physics is understanding strongly interacting quantum systems comprising such diverse examples as ultracold atoms in traps, electrons in high-temperature superconductors and nuclear matter. Warm dense matter, defined by temperatures of a few electron volts and densities comparable with solids, is a complex state of such interacting matter. Moreover, the study of warm dense matter states has practical applications for controlled thermonuclear fusion, where it is encountered during the implosion phase, and it also represents laboratory analogues of astrophysical environments found in the core of planets and the crusts of old stars. Here we demonstrate how warm dense matter states can be diagnosed and structural properties can be obtained by inelastic X-ray scattering measurements on a compressed lithium sample. Combining experiments and ab initio simulations enables us to determine its microscopic state and to evaluate more approximate theoretical models for the ionic structure. (authors)

  9. Determination of interfacial roughness using X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Munkholm, Anneli [Stanford Univ., CA (United States)

    1997-05-01

    Crystal truncation rod (CTR) scattering is shown to be a powerful technique for determining interfacial roughness non-destructively. By measuring the decay of scattering away from a Bragg reflection in the surface direction an rms roughness of the surface or interface can be extracted. The authors obtain rms roughness values with an accuracy of ± 0.1 Å. Sensitivity to lateral length scale roughness ranges from the wavelength of the x-rays to between 1,000--10,000 Å depending on the instrument function and the specific truncation rod. The influence of different cleans, as well as the thermal oxidation process, on the Si-SiO2 interface is investigated. A hot water treatment prior to the thermal oxidation is shown to roughen the Si-SiO2 interface. CTR scattering results also show a smoothing of the interface as a result of the oxidation process even for as little as 60 Å of thermal oxidation. Comparison between AFM and CTR scattering gives a consistent picture of the relative roughness of the wafers, although the absolute numbers do not agree. The differences in the absolute values can be explained by the lateral roughness scale that the two techniques measure, indicating that it is at periodicities below ~ 100 Å that the increased roughness observed by the x-ray is found. Crystal truncation rods are shown to be perpendicular to the surface and not along the crystallographic axes of a miscut crystal. It is shown that for a crystal terminated by a regular step array both an atomistic and a continuum description of CTR scattering give identical results. Furthermore, the atomistic approach is used to show that a diamond cubic surface with a miscut is inherently rough. Even for a small miscut the tilt of the CTR with respect to the crystallographic axes results in complications for measuring the rod intensity. The authors present schemes for determining the exact position of the CTR in reciprocal space and for measuring the miscut of a single

  10. X-Ray Scatter Correction on Soft Tissue Images for Portable Cone Beam CT

    OpenAIRE

    Sorapong Aootaphao; Saowapak S. Thongvigitmanee; Jartuwat Rajruangrabin; Chalinee Thanasupsombat; Tanapon Srivongsa; Pairash Thajchayapong

    2016-01-01

    Soft tissue images from portable cone beam computed tomography (CBCT) scanners can be used for diagnosis and detection of tumor, cancer, intracerebral hemorrhage, and so forth. Due to large field of view, X-ray scattering which is the main cause of artifacts degrades image quality, such as cupping artifacts, CT number inaccuracy, and low contrast, especially on soft tissue images. In this work, we propose the X-ray scatter correction method for improving soft tissue images. The X-ray scatter ...

  11. Energy-dispersive small-angle X-ray scattering with cone collimation using X-ray capillary optics

    Science.gov (United States)

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi

    2016-09-01

    Energy-dispersive small-angle X-ray scattering (ED-SAXS) with an innovative design of cone collimation based on an ellipsoidal single-bounce capillary (ESBC) and a polycapillary parallel X-ray lens (PPXRL) had been explored. Using this new cone collimation system, scattering angle 2θ has a theoretical minimum angle related to the mean half-opening angle of the hollow cone beam of 1.42 mrad, and with the usable X-ray energy ranging from 4 to 30 keV, the resulting observable scattering vector q is down to a minimum value of about 0.003 Å-1 (or a Bragg spacing of about 2100 Å). However, the absorption of lower energies by X-ray capillary optics, sample transmission, and detector response function limits the application range to lower energy. Cone collimation ED-SAXS experiments carried out on pure water, Lupolen, and in situ temperature-dependent measurement of diacetylenic acid/melamine micelle solid were presented at three different scattering angles 2θ of 0.18°, 0.70° and 1.18° to illustrate the new opportunities offered by this technique as well as its limitations. Also, a comparison has been made by replacing the PPXRL with a pinhole, and the result shows that cone collimation ED-SAXS based on ESBC with PPXRL was helpful in improving the signal-to-noise ratio (i.e., reducing the parasitic background scattering) than ESBC with a pinhole. The cone collimation instrument based on X-ray capillary optics could be considered as a promising tool to perform SAXS experiments, especially cone collimation ED-SAXS has potential application for the in situ temperature-dependent studying on the kinetics of phase transitions.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-05-01

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

  13. X-ray Scattered Halo around IGR J17544-2619

    CERN Document Server

    Mao, Junjie; Zhang, Shuang-Nan

    2014-01-01

    X-ray photons coming from an X-ray point source not only arrive at the detector directly, but also can be strongly forward-scattered by the interstellar dust along the line of sight (LOS), leading to a detectable diffuse halo around the X-ray point source. The geometry of small angle X-ray scattering is straightforward, namely, the scattered photons travel longer paths and thus arrive later than the unscattered ones; thus the delay time of X-ray scattered halo photons can reveal information of the distances of the interstellar dust and the point source. Here we present a study of the X-ray scattered around IGR J17544-2619, which is one of the so-called supergiant fast X-ray transients. IGR J17544-2619 underwent a striking outburst when observed with Chandra on 2004 July 3, providing a near delta-function lightcurve. We find that the X-ray scattered halo around IGR J17544-2619 is produced by two interstellar dust clouds along the LOS. The one which is closer to the observer gives the X-ray scattered at larger ...

  14. K-alpha conversion efficiency measurments for x-ray scattering in inertial confinement fusion plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Kritcher, A L; Neumayer, P; Urry, M K; Robey, H; Niemann, C; Landen, O L; Morse, E; Glenzer, S H

    2006-11-21

    The conversion efficiency of ultra short-pulse laser radiation to K-{alpha} x-rays has been measured for various chlorine-containing targets to be used as x-ray scattering probes of dense plasmas. The spectral and temporal properties of these sources will allow spectrally-resolved x-ray scattering probing with picosecond temporal resolution required for measuring the plasma conditions in inertial confinement fusion experiments. Simulations of x-ray scattering spectra from these plasmas show that fuel capsule density, capsule ablator density, and shock timing information may be inferred.

  15. The accurate assessment of small-angle X-ray scattering data

    Energy Technology Data Exchange (ETDEWEB)

    Grant, Thomas D. [Hauptman–Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203 (United States); Luft, Joseph R. [Hauptman–Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203 (United States); SUNY Buffalo, 700 Ellicott Street, Buffalo, NY 14203 (United States); Carter, Lester G.; Matsui, Tsutomu; Weiss, Thomas M.; Martel, Anne [Stanford Synchrotron Radiation Lightsource, 2575 Sand Hill Road, MS69, Menlo Park, CA 94025 (United States); Snell, Edward H., E-mail: esnell@hwi.buffalo.edu [Hauptman–Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, NY 14203 (United States); SUNY Buffalo, 700 Ellicott Street, Buffalo, NY 14203 (United States)

    2015-01-01

    A set of quantitative techniques is suggested for assessing SAXS data quality. These are applied in the form of a script, SAXStats, to a test set of 27 proteins, showing that these techniques are more sensitive than manual assessment of data quality. Small-angle X-ray scattering (SAXS) has grown in popularity in recent times with the advent of bright synchrotron X-ray sources, powerful computational resources and algorithms enabling the calculation of increasingly complex models. However, the lack of standardized data-quality metrics presents difficulties for the growing user community in accurately assessing the quality of experimental SAXS data. Here, a series of metrics to quantitatively describe SAXS data in an objective manner using statistical evaluations are defined. These metrics are applied to identify the effects of radiation damage, concentration dependence and interparticle interactions on SAXS data from a set of 27 previously described targets for which high-resolution structures have been determined via X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy. The studies show that these metrics are sufficient to characterize SAXS data quality on a small sample set with statistical rigor and sensitivity similar to or better than manual analysis. The development of data-quality analysis strategies such as these initial efforts is needed to enable the accurate and unbiased assessment of SAXS data quality.

  16. Small-Angle X-ray Scattering (SAXS) Instrument Performance and Validation Using Silver Nanoparticles

    Science.gov (United States)

    2016-12-01

    Using Silver Nanoparticles by Frederick L Beyer Approved for public release; distribution is unlimited. NOTICES...Small-Angle X-ray Scattering (SAXS) Instrument Performance and Validation Using Silver Nanoparticles by Frederick L Beyer Weapons and Materials...2016 4. TITLE AND SUBTITLE Small-Angle X-ray Scattering (SAXS) Instrument Performance and Validation Using Silver Nanoparticles 5a. CONTRACT

  17. Small Angle X ray Scattering (SAXS) Instrument Performance and Validation Using Silver Nanoparticles

    Science.gov (United States)

    2016-12-01

    Using Silver Nanoparticles by Frederick L Beyer Approved for public release; distribution is unlimited. NOTICES...Small-Angle X-ray Scattering (SAXS) Instrument Performance and Validation Using Silver Nanoparticles by Frederick L Beyer Weapons and Materials...2016 4. TITLE AND SUBTITLE Small-Angle X-ray Scattering (SAXS) Instrument Performance and Validation Using Silver Nanoparticles 5a. CONTRACT

  18. High energy x-ray reflectivity and scattering study from spectrum-x-gamma flight mirrors

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; Budtz-Jørgensen, Carl; Frederiksen, P. Kk

    1993-01-01

    Line radiation from Fe K-alpha(1), Cu K-alpha(1), and Ag K-alpha(1) is used to study the high energy X-ray reflectivity and scattering behavior of flight-quality X-ray mirrors having various Al substrates. When both the specular and the scattered radiation are integrated, near theoretical...

  19. High energy x-ray reflectivity and scattering study from spectrum-x-gamma flight mirrors

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; Budtz-Jørgensen, Carl; Frederiksen, P. Kk

    1993-01-01

    Line radiation from Fe K-alpha(1), Cu K-alpha(1), and Ag K-alpha(1) is used to study the high energy X-ray reflectivity and scattering behavior of flight-quality X-ray mirrors having various Al substrates. When both the specular and the scattered radiation are integrated, near theoretical...

  20. Densitometry and temperature measurement of combustion gas by X-ray Compton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Sakurai, Hiroshi, E-mail: sakuraih@gunma-u.ac.jp [Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Kawahara, Nobuyuki [Okayama University, Tsushima-Naka 3, Okayama 700-8530 (Japan); Itou, Masayoshi [Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Tomita, Eiji [Okayama University, Tsushima-Naka 3, Okayama 700-8530 (Japan); Suzuki, Kosuke [Gunma University, 1-5-1 Tenjin-cho, Kiryu, Gunma 376-8515 (Japan); Sakurai, Yoshiharu [Japan Synchrotron Radiation Research Institute (JASRI), 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan)

    2016-02-17

    Measurement of combustion gas by high-energy X-ray Compton scattering is reported. Measurement of combustion gas by high-energy X-ray Compton scattering is reported. The intensity of Compton-scattered X-rays has shown a position dependence across the flame of the combustion gas, allowing us to estimate the temperature distribution of the combustion flame. The energy spectra of Compton-scattered X-rays have revealed a significant difference across the combustion reaction zone, which enables us to detect the combustion reaction. These results demonstrate that high-energy X-ray Compton scattering can be employed as an in situ technique to probe inside a combustion reaction.

  1. X-ray edge singularity in resonant inelastic x-ray scattering (RIXS)

    Science.gov (United States)

    Markiewicz, Robert; Rehr, John; Bansil, Arun

    2013-03-01

    We develop a lattice model based on the theory of Mahan, Noziéres, and de Dominicis for x-ray absorption to explore the effect of the core hole on the RIXS cross section. The dominant part of the spectrum can be described in terms of the dynamic structure function S (q , ω) dressed by matrix element effects, but there is also a weak background associated with multi-electron-hole pair excitations. The model reproduces the decomposition of the RIXS spectrum into well- and poorly-screened components. An edge singularity arises at the threshold of both components. Fairly large lattice sizes are required to describe the continuum limit. Supported by DOE Grant DE-FG02-07ER46352 and facilitated by the DOE CMCSN, under grant number DE-SC0007091.

  2. Demonstration of X-ray Thomson Scattering on Shenguang-Ⅱ Laser Facility

    Institute of Scientific and Technical Information of China (English)

    胡广月; 张小丁; 郑坚; 雷安乐; 沈百飞; 徐至展; 张继彦; 杨家敏; 杨国洪; 韦敏习; 李军; 丁永坤

    2012-01-01

    X-ray Thomson scattering technique for diagnosing dense plasma was demonstrated on Shenguang-Ⅱ laser facility. Laser plasma x-ray source of titanium He-a lines (-4.75 keV), generated by laser beam (1.5 kJ/527 nm/2 ns) heated titanium thin foil, was used as x-ray probe beam. The x-ray probe was then scattered by cold CH foam column of 1 g/cm^3 density. The scattered radiation at 90° was diffracted by polyethylene terephthalate (PET) crystal and recorded on x-ray charge-coupled device. Well-defined scattering spectra were obtained with good signal to noise ratio.

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

    CERN Document Server

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

    2002-01-01

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

  4. Magnetic nanoparticles studied by small angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Cristiano Luis Pinto [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica. Grupo de Fluidos Complexos; Antonel, Soledad; Negri, Martin [Universidad de Buenos Aires (UBA) (Argentina). Facultad de Ciencias Exactas y Naturales. Dept. de Quimica Inorganica, Analitica y Quimica Fisica

    2011-07-01

    nanoparticles are very interesting because they exhibit magnetic (ferromagnetic) and electrical properties in the same material. Then, the nickel nanoparticles could be used for the development of electroelastic materials. In this case, the electrical conductivity of the material can be strongly dependent on the applied magnetic field, for example the case of nickel metal nanoparticles dispersed in a polymer, resulting in an anisotropic material with combined piezomagnetic and piezoelectric properties. In order to investigate the structural characteristics of cobalt-iron oxides and nickel nanoparticles, powder samples of those magnetic materials were studied by Small-Angle X-Ray Scattering. As will be shown, from the analysis and modeling of the scattering data, structural information could be obtained, enabling a detailed description of the structural properties of the studied samples which could be directly correlated to the magnetic properties. (author)

  5. Structural investigation of bistrifluron using x-ray crystallography, NMR spectroscopy, and molecular modeling

    CERN Document Server

    Moon, J K; Rhee, S K; Kim, G B; Yun, H S; Chung, B J; Lee, S S; Lim, Y H

    2002-01-01

    A new insecticide, bistrifluron acts as an inhibitor of insect development and interferes with the cuticle formation of insects. Since it shows low acute oral and dermal toxicities, it can be one of potent insecticides. Based on X-ray crystallography, NMR spectroscopy and molecular modeling, the structural studies of bistrifluron have been carried out.

  6. X-Ray Scattered Halo around IGR J17544-2619

    Science.gov (United States)

    Mao, Junjie; Ling, Zhixing; Zhang, Shuang-Nan

    2014-04-01

    X-ray photons coming from an X-ray point source not only arrive at the detector directly, but also can be strongly forward-scattered by the interstellar dust along the line of sight (LOS), leading to a detectable diffuse halo around the X-ray point source. The geometry of small-angle X-ray scattering is straightforward, namely, the scattered photons travel longer paths and thus arrive later than the unscattered ones; thus, the delay time of X-ray scattered halo photons can reveal information of the distances of the interstellar dust and the point source. Here we present a study of the X-ray scattered halo around IGR J17544-2619, which is one of the so-called supergiant fast X-ray transients. IGR J17544-2619 underwent a striking outburst when observed with Chandra on 2004 July 3, providing a near δ-function light curve. We find that the X-ray scattered halo around IGR J17544-2619 is produced by two interstellar dust clouds along the LOS. The one that is closer to the observer gives the X-ray scattered halo at larger observational angles, whereas the farther one, which is in the vicinity of the point source, explains the halo with a smaller angular size. By comparing the observational angle of the scattered halo photons with that predicted by different dust grain models, we are able to determine the normalized dust distance. With the delay times of the scattered halo photons, we can determine the point source distance, given a dust grain model. Alternatively, we can discriminate between the dust grain models, if the point source distance is known independently.

  7. X-ray scattered halo around IGR J17544–2619

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Junjie; Ling, Zhixing; Zhang, Shuang-Nan, E-mail: zhangsn@ihep.ac.cn [National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China)

    2014-04-10

    X-ray photons coming from an X-ray point source not only arrive at the detector directly, but also can be strongly forward-scattered by the interstellar dust along the line of sight (LOS), leading to a detectable diffuse halo around the X-ray point source. The geometry of small-angle X-ray scattering is straightforward, namely, the scattered photons travel longer paths and thus arrive later than the unscattered ones; thus, the delay time of X-ray scattered halo photons can reveal information of the distances of the interstellar dust and the point source. Here we present a study of the X-ray scattered halo around IGR J17544–2619, which is one of the so-called supergiant fast X-ray transients. IGR J17544–2619 underwent a striking outburst when observed with Chandra on 2004 July 3, providing a near δ-function light curve. We find that the X-ray scattered halo around IGR J17544–2619 is produced by two interstellar dust clouds along the LOS. The one that is closer to the observer gives the X-ray scattered halo at larger observational angles, whereas the farther one, which is in the vicinity of the point source, explains the halo with a smaller angular size. By comparing the observational angle of the scattered halo photons with that predicted by different dust grain models, we are able to determine the normalized dust distance. With the delay times of the scattered halo photons, we can determine the point source distance, given a dust grain model. Alternatively, we can discriminate between the dust grain models, if the point source distance is known independently.

  8. In situ microfluidic dialysis for biological small-angle X-ray scattering

    DEFF Research Database (Denmark)

    Skou, Magda; Skou, Soren; Jensen, Thomas Glasdam;

    2014-01-01

    Owing to the demand for low sample consumption and automated sample changing capabilities at synchrotron small-angle X-ray (solution) scattering (SAXS) beamlines, X-ray microfluidics is receiving continuously increasing attention. Here, a remote-controlled microfluidic device is presented for sim...

  9. Ultrashort hard x-ray pulses generated by 90 degrees Thomson scattering

    Energy Technology Data Exchange (ETDEWEB)

    Chin, A.H. [Univ. of California, Berkeley, CA (United States); Schoenlein, R.W.; Glover, T.E. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    Ultrashort x-ray pulses permit observation of fast structural dynamics in a variety of condensed matter systems. The authors have generated 300 femtosecond, 30 keV x-ray pulses by 90 degrees Thomson scattering between femtosecond laser pulses and relativistic electrons. The x-ray and laser pulses are synchronized on a femtosecond time scale, an important prerequisite for ultrafast pump-probe spectroscopy. Analysis of the x-ray beam properties also allows for electron bunch characterization on a femtosecond time scale.

  10. X-ray scattering studies of lanthanides magnetism

    DEFF Research Database (Denmark)

    McMorrow, D.; Bohr, Jakob; Gibbs, D.

    1999-01-01

    Interest in the applications of X-ray synchrotron radiation has grown rapidly during the last decade. At the present time, intense, ultra-bright synchrotron radiation is available on a routine basis from third-generation sources located in Europe (ESRF), North America (APS) and Japan (Spring8). T...

  11. Scattering-compensated cone beam x-ray luminescence computed tomography

    Science.gov (United States)

    Gao, Peng; Rong, Junyan; Pu, Huangsheng; Liu, Wenlei; Liao, Qimei; Lu, Hongbing

    2016-04-01

    X-ray luminescence computed tomography (XLCT) opens new possibilities to perform molecular imaging with x-ray. It is a dual modality imaging technique based on the principle that some nanophosphors can emit near-infrared (NIR) light when excited by x-rays. The x-ray scattering effect is a great issue in both CT and XLCT reconstruction. It has been shown that if the scattering effect compensated, the reconstruction average relative error can be reduced from 40% to 12% in the in the pencil beam XLCT. However, the scattering effect in the cone beam XLCT has not been proved. To verify and reduce the scattering effect, we proposed scattering-compensated cone beam x-ray luminescence computed tomography using an added leading to prevent the spare x-ray outside the irradiated phantom in order to decrease the scattering effect. Phantom experiments of two tubes filled with Y2O3:Eu3+ indicated that the proposed method could reduce the scattering by a degree of 30% and can reduce the location error from 1.8mm to 1.2mm. Hence, the proposed method was feasible to the general case and actual experiments and it is easy to implement.

  12. Small-Angle X-ray Scattering Screening Complements Conventional Biophysical Analysis

    DEFF Research Database (Denmark)

    Tian, Xinsheng; Langkilde, Annette Eva; Thorolfsson, Matthias;

    2014-01-01

    introduce small-angle X-ray scattering (SAXS) to characterize antibody solution behavior, which strongly complements conventional biophysical analysis. First, we apply a variety of conventional biophysical techniques for the evaluation of structural, conformational, and colloidal stability and report...

  13. Thickness measurement of organic films using Compton scattering of characteristic X-rays

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jong-Yun, E-mail: kjy@kaeri.re.kr [Nuclear Chemistry Research Division, Korea Atomic Energy Research Institute, Daedeok-daero 1045, Dukjin-dong Yuseong-gu, Daejeon 305-353 (Korea, Republic of); Choi, Yong Suk; Park, Yong Joon; Song, Kyuseok [Nuclear Chemistry Research Division, Korea Atomic Energy Research Institute, Daedeok-daero 1045, Dukjin-dong Yuseong-gu, Daejeon 305-353 (Korea, Republic of); Jung, Sung-Hee [Division of Radioisotope R and D, Korea Atomic Energy Research Institute, Daedeok-daero 1045, Dukjin-dong Yuseong-gu, Daejeon 305-353 (Korea, Republic of); Hussein, Esam M.A. [Laboratory for Threat Materials Detection, Department of Mechanical Engineering, University of New Brunswick, Fredericton, New Brunswick, Canada E3B 5A3 (Canada)

    2011-09-15

    An X-ray scattering method is presented for determining the thickness of an organic film placed on a steel substrate. The strong peaks of characteristic X-rays are taken as an advantage to measure the intensity of backscattered photons. It is shown that the intensity of Compton scattering of characteristic X-rays is proportional to film thickness, up to the thickness of 250 {mu}m of acrylic adhesive layers. In addition, the measurement time was 300 ms, providing a simple and convenient method for on-line for thickness monitoring.

  14. Structured x-ray beams from twisted electrons by inverse Compton scattering of laser light

    CERN Document Server

    Seipt, D; Fritzsche, S

    2014-01-01

    The inverse Compton scattering of laser light on high-energetic twisted electrons is investigated with the aim to construct spatially structured x-ray beams. In particular, we analyze how the properties of the twisted electrons, such as the topological charge and aperture angle of the electron Bessel beam, affects the energy and angular distribution of scattered x-rays. We show that with suitably chosen initial twisted electron states one can synthesize tailor-made x-ray beam profiles with a well-defined spatial structure, in a way not possible with ordinary plane-wave electron beams.

  15. X-ray lithography and small-angle X-ray scattering: a combination of techniques merging biology and materials science.

    Science.gov (United States)

    Marmiroli, B; Amenitsch, H

    2012-10-01

    The advent of micro/nanotechnology has blurred the border between biology and materials science. Miniaturization of chemical and biological assays, performed by use of micro/nanofluidics, requires both careful selection of the methods of fabrication and the development of materials designed for specific applications. This, in turn, increases the need for interdisciplinary combination of suitable microfabrication and characterisation techniques. In this review, the advantages of combining X-ray lithography, as fabrication technique, with small-angle X-ray scattering measurements will be discussed. X-ray lithography enables the limitations of small-angle X-ray scattering, specifically time resolution and sample environment, to be overcome. Small-angle X-ray scattering, on the other hand, enables investigation and, consequently, adjustment of the nanostructural morphology of microstructures and materials fabricated by X-ray lithography. Moreover, the effect of X-ray irradiation on novel materials can be determined by use of small-angle X-ray scattering. The combination of top-down and bottom-up methods to develop new functional materials and structures with potential in biology will be reported.

  16. Improving the spatial resolution of a soft X-ray Charge Coupled Device used for Resonant Inelastic X-ray Scattering

    OpenAIRE

    Soman, M. R.; Hall, D. J. (David John); Tutt, J. H.; Murray, N. J.; Holland, A. D.; Schmitt, T.; Raabe, J.; Schmitt, B.

    2011-01-01

    The Super Advanced X-ray Emission Spectrometer (SAXES) at the Advanced Resonant Scattering (ADRESS) beamline of the Swiss Light Source is a high-resolution X-ray spectrometer used as an end station for Resonant Inelastic X-ray Scattering from 400 eV to 1600 eV. Through the dispersion of photons across a CCD, the energy of scattered photons may be determined by their detected spatial position. The limiting factor of the energy resolution is currently the spatial resolution achieved with the CC...

  17. X-ray generation by inverse Compton scattering at the superconducting RF test facility

    Energy Technology Data Exchange (ETDEWEB)

    Shimizu, Hirotaka, E-mail: hirotaka@post.kek.jp [KEK, 1-1 Oho, Tsukuba 305-0801, Ibaraki (Japan); Akemoto, Mitsuo; Arai, Yasuo; Araki, Sakae; Aryshev, Alexander; Fukuda, Masafumi; Fukuda, Shigeki; Haba, Junji; Hara, Kazufumi; Hayano, Hitoshi; Higashi, Yasuo; Honda, Yosuke; Honma, Teruya; Kako, Eiji; Kojima, Yuji; Kondo, Yoshinari; Lekomtsev, Konstantin; Matsumoto, Toshihiro; Michizono, Shinichiro; Miyoshi, Toshinobu [KEK, 1-1 Oho, Tsukuba 305-0801, Ibaraki (Japan); and others

    2015-02-01

    Quasi-monochromatic X-rays with high brightness have a broad range of applications in fields such as life sciences, bio-, medical applications, and microlithography. One method for generating such X-rays is via inverse Compton scattering (ICS). X-ray generation experiments using ICS were carried out at the superconducting RF test facility (STF) accelerator at KEK. A new beam line, newly developed four-mirror optical cavity system, and new X-ray detector system were prepared for experiments downstream section of the STF electron accelerator. Amplified pulsed photons were accumulated into a four-mirror optical cavity and collided with an incoming 40 MeV electron beam. The generated X-rays were detected using a microchannel plate (MCP) detector for X-ray yield measurements and a new silicon-on-insulator (SOI) detector system for energy measurements. The detected X-ray yield by the MCP detector was 1756.8±272.2 photons/(244 electron bunches). To extrapolate this result to 1 ms train length under 5 Hz operations, 4.60×10{sup 5} photons/1%-bandwidth were obtained. The peak X-ray energy, which was confirmed by the SOI detector, was 29 keV, and this is consistent with ICS X-rays.

  18. Small-angle X-ray scattering: a bridge between RNA secondary structures and three-dimensional topological structures

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Xianyang [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., NCI Small Angle X-ray Scattering Core Facility; Stagno, Jason R. [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.; Bhandari, Yuba R. [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.; Zuo, Xiaobing [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Wang, Yun-Xing [National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., NCI Small Angle X-ray Scattering Core Facility; National Inst. of Health (NIH), Bethesda, MD (United States). National Cancer Inst., Protein-Nucleic Acid Interaction Section, Structural Biophysics Lab.

    2015-02-01

    Whereas the structures of small to medium-sized well folded RNA molecules often can be determined by either X-ray crystallography or NMR spectroscopy, obtaining structural information for large RNAs using experimental, computational, or combined approaches remains a major interest and challenge. RNA is very sensitive to small-angle X-ray scattering (SAXS) due to high electron density along phosphate-sugar backbones, whose scattering contribution dominates SAXS intensity. For this reason, SAXS is particularly useful in obtaining global RNA structural information that outlines backbone topologies and, therefore, molecular envelopes. Such information is extremely valuable in bridging the gap between the secondary structures and three-dimensional topological structures of RNAmolecules, particularly those that have proven difficult to study using other structuredetermination methods. Here we review published results of RNA topological structures derived from SAXS data or in combination with other experimental data, as well as details on RNA sample preparation for SAXS experiments.

  19. Low-energy shelf response in thin energy-dispersive X-ray detectors from Compton scattering of hard X-rays

    Science.gov (United States)

    Michel-Hart, N.; Elam, W. T.

    2017-08-01

    Silicon drift detectors have been successfully employed in both soft and hard X-ray spectroscopy. The response function to incident radiation at soft X-ray levels has been well studied and modeled, but less research has been published on response functions for these detectors to hard X-ray input spectra above 20 keV. When used with hard X-ray sources a significant low energy, non-peak response exists which can adversely affect detection limits for lighter elements in, for example, X-ray fluorescence spectroscopy. We present a numerical model that explains the non-peak response function of silicon drift detectors to hard X-rays based on incoherent Compton scattering within the detector volume. Experimental results are presented and numerically compared to model results.

  20. A preliminary study of breast cancer diagnosis using laboratory based small angle x-ray scattering

    Science.gov (United States)

    Round, A. R.; Wilkinson, S. J.; Hall, C. J.; Rogers, K. D.; Glatter, O.; Wess, T.; Ellis, I. O.

    2005-09-01

    Breast tissue collected from tumour samples and normal tissue from bi-lateral mastectomy procedures were examined using small angle x-ray scattering. Previous work has indicated that breast tissue disease diagnosis could be performed using small angle x-ray scattering (SAXS) from a synchrotron radiation source. The technique would be more useful to health services if it could be made to work using a conventional x-ray source. Consistent and reliable differences in x-ray scatter distributions were observed between samples from normal and tumour tissue samples using the laboratory based 'SAXSess' system. Albeit from a small number of samples, a sensitivity of 100% was obtained. This result encourages us to pursue the implementation of SAXS as a laboratory based diagnosis technique.

  1. A preliminary study of breast cancer diagnosis using laboratory based small angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Round, A R [Daresbury Laboratories, Warrington, WA4 4AD (United Kingdom); Wilkinson, S J [Daresbury Laboratories, Warrington, WA4 4AD (United Kingdom); Hall, C J [Daresbury Laboratories, Warrington, WA4 4AD (United Kingdom); Rogers, K D [Department of Materials and Medical Sciences, Cranfield University, Swindon, SN6 8LA (United Kingdom); Glatter, O [Department of Chemistry, University of Graz (Austria); Wess, T [School of Optometry and Vision Sciences, Cardiff University, Cardiff CF10 3NB, Wales (United Kingdom); Ellis, I O [Nottingham City Hospital, Nottingham (United Kingdom)

    2005-09-07

    Breast tissue collected from tumour samples and normal tissue from bi-lateral mastectomy procedures were examined using small angle x-ray scattering. Previous work has indicated that breast tissue disease diagnosis could be performed using small angle x-ray scattering (SAXS) from a synchrotron radiation source. The technique would be more useful to health services if it could be made to work using a conventional x-ray source. Consistent and reliable differences in x-ray scatter distributions were observed between samples from normal and tumour tissue samples using the laboratory based 'SAXSess' system. Albeit from a small number of samples, a sensitivity of 100% was obtained. This result encourages us to pursue the implementation of SAXS as a laboratory based diagnosis technique.

  2. Echo Emission From Dust Scattering and X-Ray Afterglows of Gamma-Ray Bursts

    CERN Document Server

    Shao, L; Mirabal, N

    2007-01-01

    We investigate the effect of X-ray echo emission in gamma-ray bursts (GRBs). We find that the echo emission can provide an alternative way of understanding X-ray shallow decays and jet breaks. In particular, a shallow decay followed by a "normal" decay and a further rapid decay of X-ray afterglows can be together explained as being due to the echo from prompt X-ray emission scattered by dust grains in a massive wind bubble around a GRB progenitor. We also introduce an extra temporal break in the X-ray echo emission. By fitting the afterglow light curves, we can measure the locations of the massive wind bubbles, which will bring us closer to finding the mass loss rate, wind velocity, and the age of the progenitors prior to the GRB explosions.

  3. [Air kerma transmission factors of Scattered X-rays in the maze of a Linac room for lead shield].

    Science.gov (United States)

    Kato, Hideki

    2005-01-20

    Spectra of scattered X-rays in the maze of a Linac (X-ray energies of 4, 6, and 10 MV) room were estimated by means of the Monte Carlo simulation, and air kerma transmission factors of the X-rays scattered through a lead shield were evaluated based on those spectra. Spectra of scattered X-rays showed a maximum in the energy area below 200 keV. The higher the accelerated electron energy, also, the smaller the scattering angle that tended to spread to the higher energy area of the distribution of spectra. The air kerma transmission factor of 120 degrees scattered X-rays of 4 MV X-rays obtained in this study was larger than the transmission factors of 124 degrees scattered photons of (60)Co gamma rays through a lead shield given in ICRP. The air kerma transmission factors of 120 degrees scattered X-rays of 6 MV X-rays were smaller than the transmission factors of 90 degrees scattered photons of (60)Co gamma rays. The air kerma transmission factors of 120 degrees scattered X-rays of 10 MV X-rays was slightly larger than transmission factors of 90 degrees scattered photons of (60)Co gamma rays. Therefore, in the case of a 4 MV X-ray Linac room, the calculation method given in the "Manual of Practical Shield Calculation of Radiation Facilities (2000)" causes underestimation of leakage doses.

  4. Assessment of surface roughness by use of soft x-ray scattering

    Science.gov (United States)

    Meng, Yan-li; Wang, Yong-gang; Chen, Shu-yan; Chen, Bo

    2009-08-01

    A soft x-ray reflectometer with laser produced plasma source has been designed, which can work from wavelength 8nm to 30 nm and has high performance. Using the soft x-ray reflectometer above, the scattering light distribution of silicon and zerodur mirrors which have super-smooth surfaces could be measured at different incidence angle and different wavelength. The measurement when the incidence angle is 2 degree and the wavelength is 11nm has been given in this paper. A surface scattering theory of soft x-ray grazing incidence optics based on linear system theory and an inverse scattering mathematical model is introduced. The vector scattering theory of soft x-ray scattering also is stated in detail. The scattering data are analyzed by both the methods above respectively to give information about the surface profiles. On the other hand, both the two samples are measured by WYKO surface profiler, and the surface roughness of the silicon and zerodur mirror is 1.3 nm and 1.5nm respectively. The calculated results are in quantitative agreement with those measured by WYKO surface profiler, which indicates that soft x-ray scattering is a very useful tool for the evaluation of highly polished surfaces. But there still some difference among the results of different theory and WYKO, and the possible reasons of such difference have been discussed in detail.

  5. Spatial harmonic imaging of X-ray scattering--initial results.

    Science.gov (United States)

    Wen, Han; Bennett, Eric E; Hegedus, Monica M; Carroll, Stefanie C

    2008-08-01

    Coherent X-ray scattering is related to the electron density distribution by a Fourier transform, and therefore a window into the microscopic structures of biological samples. Current techniques of scattering rely on small-angle measurements from highly collimated X-ray beams produced from synchrotron light sources. Imaging of the distribution of scattering provides a new contrast mechanism which is different from absorption radiography, but is a lengthy process of raster or line scans of the beam over the object. Here, we describe an imaging technique in the spatial frequency domain capable of acquiring both the scattering and absorption distributions in a single exposure. We present first results obtained with conventional X-ray equipment. This method interposes a grid between the X-ray source and the imaged object, so that the grid-modulated image contains a primary image and a grid harmonic image. The ratio between the harmonic and primary images is shown to be a pure scattering image. It is the auto-correlation of the electron density distribution at a specific distance. We tested a number of samples at 60-200 nm autocorrelation distance, and found the scattering images to be distinct from the absorption images and reveal new features. This technique is simple to implement, and should help broaden the imaging applications of X-ray scattering.

  6. Free-electron laser based resonant inelastic X-ray scattering on molecules and liquids

    Energy Technology Data Exchange (ETDEWEB)

    Kunnus, Kristjan, E-mail: kkunnus@stanford.edu [Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany); Institut für Physik und Astronomie, Universität Potsdam, Karl-Liebknecht-Str. 24/25, 14476 Potsdam (Germany); Schreck, Simon; Föhlisch, Alexander [Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin GmbH, Albert-Einstein-Str. 15, 12489 Berlin (Germany); Institut für Physik und Astronomie, Universität Potsdam, Karl-Liebknecht-Str. 24/25, 14476 Potsdam (Germany)

    2015-10-15

    Highlights: • Femtosecond time-resolved RIXS can be used to follow charge, spin and structural dynamics of dilute solute molecules in solution. • Ultrashort X-ray pulses allow probing of highly radiation sensitive states of matter. • Nonlinear X-ray probes provide an enhanced selectivity and sensitivity as well as a path to control radiation damage and increase the photon yields in RIXS experiments. - Abstract: The unprecedented beam properties of free-electron laser based X-ray sources enable novel resonant inelastic X-ray scattering (RIXS) experiments. Femtosecond time-resolved RIXS can be used to follow charge, spin and structural dynamics of dilute solute molecules in solution. Ultrashort X-ray pulses allow probing of highly radiation sensitive states of matter such as the metastable phase of supercooled liquid water. Nonlinear X-ray probes like amplified spontaneous emission and stimulated resonant X-ray scattering provide an enhanced selectivity and sensitivity as well as a path to control radiation damage and increase the photon yields in RIXS experiments.

  7. Superhydrophobic surfaces allow probing of exosome self organization using X-ray scattering

    Science.gov (United States)

    Accardo, Angelo; Tirinato, Luca; Altamura, Davide; Sibillano, Teresa; Giannini, Cinzia; Riekel, Christian; di Fabrizio, Enzo

    2013-02-01

    Drops of exosome dispersions from healthy epithelial colon cell line and colorectal cancer cells were dried on a superhydrophobic PMMA substrate. The residues were studied by small- and wide-angle X-ray scattering using both a synchrotron radiation micrometric beam and a high-flux table-top X-ray source. Structural differences between healthy and cancerous cells were detected in the lamellar lattices of the exosome macro-aggregates.Drops of exosome dispersions from healthy epithelial colon cell line and colorectal cancer cells were dried on a superhydrophobic PMMA substrate. The residues were studied by small- and wide-angle X-ray scattering using both a synchrotron radiation micrometric beam and a high-flux table-top X-ray source. Structural differences between healthy and cancerous cells were detected in the lamellar lattices of the exosome macro-aggregates. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr34032e

  8. A simulation study of Tsinghua Thomson scattering X-ray source

    Institute of Scientific and Technical Information of China (English)

    TANG Chuan-Xiang; LI Ren-Kai; HUANG Wen-Hui; CHEN Huai-Bi; DU Ying-Chao; DU Qiang; DU Tai-Bin; HE Xiao-Zhong; HUA Jian-Fei; LIN Yu-Zhen; QIAN Hou-Jun; SHI Jia-Ru; XIANG Dao; YAN Li-Xin; Yu Pei-Cheng

    2009-01-01

    Thomson scattering X-ray sources are compact and afrordable facifities that produce short duration,high brightness X-ray pulses enabling new experimental capacities in ultra-fast science studies,and also medical and industrial applications.Such a facility has been built at the Accelerator Laboratory of Tsinghua University,and upgrade is in progress.In this paper,we present a proposed layout of the upgrade with design parameters by simulation,aiming at high X-ray pulses flux and brightness,and also enabling advanced dynamics studies and applications of the electron beam.Design and construction status of main subsystems are also presented.

  9. LIGHT SOURCE: A simulation study of Tsinghua Thomson scattering X-ray source

    Science.gov (United States)

    Tang, Chuan-Xiang; Li, Ren-Kai; Huang, Wen-Hui; Chen, Huai-Bi; Du, Ying-Chao; Du, Qiang; Du, Tai-Bin; He, Xiao-Zhong; Hua, Jian-Fei; Lin, Yu-Zhen; Qian, Hou-Jun; Shi, Jia-Ru; Xiang, Dao; Yan, Li-Xin; Yu, Pei-Cheng

    2009-06-01

    Thomson scattering X-ray sources are compact and affordable facilities that produce short duration, high brightness X-ray pulses enabling new experimental capacities in ultra-fast science studies, and also medical and industrial applications. Such a facility has been built at the Accelerator Laboratory of Tsinghua University, and upgrade is in progress. In this paper, we present a proposed layout of the upgrade with design parameters by simulation, aiming at high X-ray pulses flux and brightness, and also enabling advanced dynamics studies and applications of the electron beam. Design and construction status of main subsystems are also presented.

  10. The effect of bound states on X-ray Thomson scattering for partially ionized plasmas

    OpenAIRE

    Nilsen, J.; Johnson, W.R.; Cheng, K. T.

    2012-01-01

    X-ray Thomson scattering is being developed as a method to measure the temperature, electron density, and ionization state of high energy density plasmas such as those used in inertial confinement fusion. X-ray laser sources have always been of interest because of the need to have a bright monochromatic x-ray source to overcome plasma emission and eliminate other lines in the background that complicate the analysis. With the advent of the xray free electron laser (X-FEL) at the SLAC Linac Coh...

  11. Superhydrophobic surfaces allow probing of exosome self organization using X-ray scattering

    KAUST Repository

    Accardo, Angelo

    2013-01-01

    Drops of exosome dispersions from healthy epithelial colon cell line and colorectal cancer cells were dried on a superhydrophobic PMMA substrate. The residues were studied by small- and wide-angle X-ray scattering using both a synchrotron radiation micrometric beam and a high-flux table-top X-ray source. Structural differences between healthy and cancerous cells were detected in the lamellar lattices of the exosome macro-aggregates. © 2013 The Royal Society of Chemistry.

  12. Focusing polycapillary to reduce parasitic scattering for inelastic x-ray measurements at high pressure

    Science.gov (United States)

    Chow, P.; Xiao, Y. M.; Rod, E.; Bai, L. G.; Shen, G. Y.; Sinogeikin, S.; Gao, N.; Ding, Y.; Mao, H.-K.

    2015-07-01

    The double-differential scattering cross-section for the inelastic scattering of x-ray photons from electrons is typically orders of magnitude smaller than that of elastic scattering. With samples 10-100 μm size in a diamond anvil cell at high pressure, the inelastic x-ray scattering signals from samples are obscured by scattering from the cell gasket and diamonds. One major experimental challenge is to measure a clean inelastic signal from the sample in a diamond anvil cell. Among the many strategies for doing this, we have used a focusing polycapillary as a post-sample optic, which allows essentially only scattered photons within its input field of view to be refocused and transmitted to the backscattering energy analyzer of the spectrometer. We describe the modified inelastic x-ray spectrometer and its alignment. With a focused incident beam which matches the sample size and the field of view of polycapillary, at relatively large scattering angles, the polycapillary effectively reduces parasitic scattering from the diamond anvil cell gasket and diamonds. Raw data collected from the helium exciton measured by x-ray inelastic scattering at high pressure using the polycapillary method are compared with those using conventional post-sample slit collimation.

  13. The structure of liquid semiconductors, superionic conductors and glasses by neutron scattering, X-ray diffraction and extended X-ray absorption fine structure

    CERN Document Server

    Buchanan, P

    2001-01-01

    NDIS technique alone. The structure of liquid FeTe sub 2 was determined at the total structure factor level using neutron diffraction in order to estimate the effect of chalcogenide ion size on the structure. The results demonstrate the feasibility of the additional structural determination techniques for disordered materials made possible through the development of third generation X-ray synchrotron sources. A study of the applicability of modern X-ray and neutron scattering techniques to the study of the structure of liquid semiconductors and glasses has been made. The results demonstrate how neutron scattering with isotopic substitution (NDIS), anomalous X-ray scattering and Extended X-ray Absorption Fine Structure (EXAFS) can be successfully used to elucidate the structure of materials that cannot be studied by NDIS alone. The local coordination structure of Ag sub 2 Se in its room temperature, superionic and liquid phases has been determined using the EXAFS technique. This EXAFS data have been combined w...

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

    Directory of Open Access Journals (Sweden)

    Changizi V

    2008-01-01

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

  15. Resonant and non-resonant X-ray scattering from GdB{sub 6}

    Energy Technology Data Exchange (ETDEWEB)

    Kuwahara, K. [Department of Physics, Faculty of Science, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 (Japan)]. E-mail: kuwahara@phys.metro-u.ac.jp; Yamamoto, R. [Department of Physics, Faculty of Science, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 (Japan); Kohgi, M. [Department of Physics, Faculty of Science, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397 (Japan); Nakao, H. [Faculty of Science, Tohoku University, Sendai 980-8577 (Japan); Ishii, K. [Synchrotron Radiation Research Center, JAERI, Hyogo 679-5148 (Japan); Iwasa, K. [Faculty of Science, Tohoku University, Sendai 980-8577 (Japan); Murakami, Y. [Faculty of Science, Tohoku University, Sendai 980-8577 (Japan); Kunii, S. [Faculty of Science, Tohoku University, Sendai 980-8577 (Japan); Sagayama, H. [Photon Factory, Institute for Materials Structure Science, KEK, Tsukuba 305-0801 (Japan); Wakabayashi, Y. [Photon Factory, Institute for Materials Structure Science, KEK, Tsukuba 305-0801 (Japan); Sawa, H. [Photon Factory, Institute for Materials Structure Science, KEK, Tsukuba 305-0801 (Japan)

    2005-04-30

    We have performed resonant and non-resonant X-ray scattering on GdB{sub 6} to investigate the two successive phase transitions at T{sub N}={approx}15K and T*={approx}10K. Below T{sub N}, new superlattice reflection at the wave vector [141412], which is the same wave vector determined by the epithermal neutron diffraction, has been observed by X-ray scattering. In the temperature region between T* and T{sub N}, it was confirmed by the polarization analyses that the superlattice reflection is due to magnetic X-ray scattering. On the other hand, interestingly, the superlattice reflection below T* is mainly due to Thomson scattering. Unlike behavior expected from usual magnetoelastic effects, the wave vector of the lattice distortion is identical to that of the magnetic structure below T*.

  16. Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering.

    Science.gov (United States)

    Gao, Xuan; Casa, Diego; Kim, Jungho; Gog, Thomas; Li, Chengyang; Burns, Clement

    2016-08-01

    Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Here we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals.

  17. Tracking the density evolution in counter-propagating shock waves using imaging X-ray scattering

    Science.gov (United States)

    Zastrau, U.; Gamboa, E. J.; Kraus, D.; Benage, J. F.; Drake, R. P.; Efthimion, P.; Falk, K.; Falcone, R. W.; Fletcher, L. B.; Galtier, E.; Gauthier, M.; Granados, E.; Hastings, J. B.; Heimann, P.; Hill, K.; Keiter, P. A.; Lu, J.; MacDonald, M. J.; Montgomery, D. S.; Nagler, B.; Pablant, N.; Schropp, A.; Tobias, B.; Gericke, D. O.; Glenzer, S. H.; Lee, H. J.

    2016-07-01

    We present results from time-resolved X-ray imaging and inelastic scattering on collective excitations. These data are then employed to infer the mass density evolution within laser-driven shock waves. In our experiments, thin carbon foils are first strongly compressed and then driven into a dense state by counter-propagating shock waves. The different measurements agree that the graphite sample is about twofold compressed when the shock waves collide, and a sharp increase in forward scattering indicates disassembly of the sample 1 ns thereafter. We can benchmark hydrodynamics simulations of colliding shock waves by the X-ray scattering methods employed.

  18. Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Xuan [Department of Physics, Western Michigan University, Kalamazoo, Michigan 49008-5252 (United States); Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714 (China); Casa, Diego; Kim, Jungho; Gog, Thomas [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Li, Chengyang [Department of Physics, Western Michigan University, Kalamazoo, Michigan 49008-5252 (United States); Department of Physics, South University of Science and Technology of China, Shenzhen 518055 (China); Burns, Clement [Department of Physics, Western Michigan University, Kalamazoo, Michigan 49008-5252 (United States)

    2016-08-15

    Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Here we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals.

  19. Magnetism in heterogeneous thin film systems: Resonant x-ray scattering studies

    Energy Technology Data Exchange (ETDEWEB)

    Kortright, J.B.; Jiang, J.S.; Bader, S.D.; Hellwig, O.; Marguiles, D.T.; Fullerton, E.E.

    2002-10-28

    Magnetic and chemical heterogeneity are common in a broad range of magnetic thin film systems. Emerging resonant soft x-ray scattering techniques are well suited to resolve such heterogeneity at relevant length scales. Resonant x-ray magneto-optical Kerr effect measurements laterally average over heterogeneity but can provide depth resolution in different ways, as illustrated in measurements resolving reversible and irreversible changes in different layers of exchange-spring heterostructures. Resonant small-angle scattering measures in-plane heterogeneity and can resolve magnetic and chemical scattering sources in different ways, as illustrated in measurements of granular alloy recording media.

  20. 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.

  1. A neutron-X-ray, NMR and calorimetric study of glassy Probucol synthesized using containerless techniques

    Energy Technology Data Exchange (ETDEWEB)

    Weber, J.K.R., E-mail: rweber@anl.gov [Materials Development, Inc., Arlington Heights, IL 60004 (United States); Argonne National Laboratory, Argonne, IL 60439 (United States); Benmore, C.J. [Argonne National Laboratory, Argonne, IL 60439 (United States); Department of Physics, Arizona State University, AZ 85287 (United States); Tailor, A.N.; Tumber, S.K. [Materials Development, Inc., Arlington Heights, IL 60004 (United States); Neuefeind, J. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Cherry, B. [Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Yarger, J.L. [Department of Physics, Arizona State University, AZ 85287 (United States); Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Mou, Q. [Magnetic Resonance Research Center, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Weber, W. [Department of Physics, Arizona State University, AZ 85287 (United States); Department of Chemistry and Biochemistry, Arizona State University, AZ 85287 (United States); Byrn, S.R. [Department of Industrial and Physical Pharmacy, Purdue University, IN 47907 (United States)

    2013-10-16

    Highlights: • Acoustic levitation was used to make phase-pure glassy forms of pharmaceutical compounds. • Neutrons, X-rays and NMR were used to characterize the glasses. • The glass comprised of slightly distorted molecules packed in a random network. • Potential for new drug synthesis routes is discussed. - Abstract: Acoustic levitation was used to trap 1–3 mm diameter drops of Probucol and other pharmaceutical materials in containerless conditions. Samples were studied in situ using X-ray diffraction and ex situ using neutron diffraction, NMR and DSC techniques. The materials were brought into non-equilibrium states by supersaturating solutions or by supercooling melts. The glass transition and crystallization temperatures of glassy Probucol were 29 ± 1 and 71 ± 1 °C respectively. The glassy form was stable with a shelf life of at least 8 months. A neutron/X-ray difference function of the glass showed that while molecular sub-groups remain rigid, many of the hydrogen correlations observed in the crystal become smeared out in the disordered material. The glass is principally comprised of slightly distorted Form I Probucol molecules with disordered packing rather than large changes in the individual molecular structure. Avoiding surface contact-induced nucleation provided access to highly non-equilibrium phases and enabled synthesis of phase-pure glasses.

  2. X-ray scattering as a probe for warm dense mixtures and high-pressure miscibility

    CERN Document Server

    Wünsch, K; Gregori, G; Gericke, D O

    2010-01-01

    We demonstrate the abilities of elastic x-ray scattering to yield information on dense matter with multiple ion species and on the microscopic mixing in dense materials. Based on partial structure factors from ab initio simulations, a novel approach for the elastic scattering feature is applied to dense hydrogen-beryllium and hydrogen-helium mixtures. The scattering signal differs significantly between single species, real microscopic mixtures, and two separate fluids in the scattering volume.

  3. Elastic scattering of gamma rays and X-rays

    Energy Technology Data Exchange (ETDEWEB)

    Kane, P.P. [Physics Department, Indian Institute of Technology, Powai, Mumbai 400076 (India)]. E-mail: ppkane@vsnl.com

    2005-12-15

    Studies of elastic gamma ray scattering were pursued independently by the groups of Prof. Ghose and the author for several decades in spite of somewhat meagre support. Several techniques for such studies developed by the two groups and some of the results obtained in the energy range from tens of keV to about 1.5 MeV are described briefly. The theoretical background necessary for understanding these results is also outlined. The results showed the importance of Modified Relativistic Form Factor (MRFF) approximation in the explanation of atomic Rayleigh scattering cross sections in the small angle regime and the necessity for an inclusion of real Delbrueck scattering amplitudes at large scattering angles. Dispersion corrections to form factor amplitudes or the so-called anomalous scattering factors are shown to be needed at photon energies close to electron binding energy thresholds. A few promising future extensions of such studies are indicated at the end.

  4. Technical Development of Profile Measurement for the Soft X-Ray Via Compton Backward Scattering

    CERN Document Server

    Saito, Taku; Hayano, Hitoshi; Hidume, Kentaro; Kashiwagi, Shigeru; Kuroda, Ryunosuke; Minamiguchi, Shuichi; Oshima, Akihiro; Ueyama, Daisuke; Urakawa, Junji; Washio, Masakazu

    2005-01-01

    A compact X-ray source is called for such various fields as material development, biological science, and medical treatment. At Waseda University, we have already succeeded to generate the soft X-ray of the wavelength within so-called water window region (250-500eV) via Compton backward scattering between 1047nm Nd:YLF laser and 4.2MeV high quality electron beam. Although this method equips some useful characters, e.g. high intensity, short pulse, energy variableness, etc, the X-ray generating system is compact enough to fit in tabletop size. In the next step, there rises two principal tasks, that is, to make the soft X-ray intensity higher, and to progress X-ray profile measurement techniques as preliminary experiments for biomicroscopy. Specifically, we utilize two-pass amp for the former, and irradiate X-ray to a resist film which is previously exposed by UV lamp or get images with X-ray CCD for the latter. In this conference, we will show the experimental results and some future plans.

  5. X-Ray Scatter Correction on Soft Tissue Images for Portable Cone Beam CT

    Directory of Open Access Journals (Sweden)

    Sorapong Aootaphao

    2016-01-01

    Full Text Available Soft tissue images from portable cone beam computed tomography (CBCT scanners can be used for diagnosis and detection of tumor, cancer, intracerebral hemorrhage, and so forth. Due to large field of view, X-ray scattering which is the main cause of artifacts degrades image quality, such as cupping artifacts, CT number inaccuracy, and low contrast, especially on soft tissue images. In this work, we propose the X-ray scatter correction method for improving soft tissue images. The X-ray scatter correction scheme to estimate X-ray scatter signals is based on the deconvolution technique using the maximum likelihood estimation maximization (MLEM method. The scatter kernels are obtained by simulating the PMMA sheet on the Monte Carlo simulation (MCS software. In the experiment, we used the QRM phantom to quantitatively compare with fan-beam CT (FBCT data in terms of CT number values, contrast to noise ratio, cupping artifacts, and low contrast detectability. Moreover, the PH3 angiography phantom was also used to mimic human soft tissues in the brain. The reconstructed images with our proposed scatter correction show significant improvement on image quality. Thus the proposed scatter correction technique has high potential to detect soft tissues in the brain.

  6. Developing advanced X-ray scattering methods combined with crystallography and computation.

    Science.gov (United States)

    Perry, J Jefferson P; Tainer, John A

    2013-03-01

    The extensive use of small angle X-ray scattering (SAXS) over the last few years is rapidly providing new insights into protein interactions, complex formation and conformational states in solution. This SAXS methodology allows for detailed biophysical quantification of samples of interest. Initial analyses provide a judgment of sample quality, revealing the potential presence of aggregation, the overall extent of folding or disorder, the radius of gyration, maximum particle dimensions and oligomerization state. Structural characterizations include ab initio approaches from SAXS data alone, and when combined with previously determined crystal/NMR, atomistic modeling can further enhance structural solutions and assess validity. This combination can provide definitions of architectures, spatial organizations of protein domains within a complex, including those not determined by crystallography or NMR, as well as defining key conformational states of a protein interaction. SAXS is not generally constrained by macromolecule size, and the rapid collection of data in a 96-well plate format provides methods to screen sample conditions. This includes screening for co-factors, substrates, differing protein or nucleotide partners or small molecule inhibitors, to more fully characterize the variations within assembly states and key conformational changes. Such analyses may be useful for screening constructs and conditions to determine those most likely to promote crystal growth of a complex under study. Moreover, these high throughput structural determinations can be leveraged to define how polymorphisms affect assembly formations and activities. This is in addition to potentially providing architectural characterizations of complexes and interactions for systems biology-based research, and distinctions in assemblies and interactions in comparative genomics. Thus, SAXS combined with crystallography/NMR and computation provides a unique set of tools that should be considered

  7. X-ray Scattering Techniques for Characterization of Nanosystems in Lifescience

    Energy Technology Data Exchange (ETDEWEB)

    Saw, C K

    2005-04-11

    The intent of this chapter is to provide the basics of using x-ray diffraction techniques in order to obtain information on the structure and morphology of the nanosystems, and also to point out some of its strengths and weaknesses when compare to other characterization techniques. X-ray scattering examines over a wide range of density domains from a tenth to a thousandth angstrom. Essentially, this covers a whole range of condensed matter, including the structure and morphology of nanosystems, particularly useful for examining nanostructures in lifescience. This range of domain size requires both the wide-angle x-ray scattering (WAXS) and small-angle (SAXS) x-ray scattering techniques. Roughly WAXS covers from 2 nm down, and SAXS covers from .5 nm to 100 nm and possibly 1,000 nm for a finely tuned instrument. Brief theoretical description of both WAXS and SAXS will be given in this chapter. WAXS, by itself is a powerful technique in providing information on the crystallographic structure or lack of structure, atomic positions and sizes in a unit cell, to some extend, chemical compositions and as well as chemical stoichiometry. Examples of such experiments will also be given. In order to be able to describe the technique of x-ray scattering, some historical and theoretical background will be given in the hope of making this subject interesting and simple.

  8. Experimental elucidation: microscopic mechanism of resonant X-ray scattering in manganite films

    CERN Document Server

    Ohsumi, H; Kiyama, T

    2003-01-01

    Resonant X-ray scattering experiments have been performed on perovskite manganite La sub 0 sub . sub 5 Sr sub 0 sub . sub 5 MnO sub 3 thin films, which are grown on three distinct perovskite with a coherent epitaxial strain and have a forced ferro-type orbital ordering of Mn 3d orbitals. Using an interference technique, we have successfully observed the resonant X-ray scattering signal from the system having the ferro-type orbital ordering and also revealed the energy scheme of Mn 4p bands. For the forced ferro-type orbital ordering system, the present results evidence that the resonant X-ray scattering signal originates from the band structure effect due to the Jahn-Teller distortion of a MnO sub 6 octahedron, and not from the Coulomb interaction between 3d and 4p electrons. (author)

  9. Heterodyne-Detected Ultrafast X-Ray Diffraction and Scattering from Nonstationary States

    CERN Document Server

    Bennett, Kochise; Mukamel, Shaul

    2016-01-01

    Free-electron laser hard X-ray light sources can provide high fluence, femtosecond pulses, enabling the time-resolved probing of structural dynamics and elementary relaxation processes in molecules. Traditional X-ray elastic scattering from crystals in the ground state consists of sharp Bragg diffraction peaks that arise from pairs of molecules and reveal the ground state charge density. Scattering of ultrashort X-ray pulses from gases, liquids, and even single molecules is more complex and involves both single- and two- molecule contributions, diffuse (non-Bragg) features, elastic and inelastic components, contributions of electronic coherences in nonstationary states, and interferences between scattering off different states (heterodyne detection). We present a unified description that covers all these processes and discuss their relative magnitudes for gas-phase NaI. Conditions for the observation of holographic (heterodyne) interference, which has been recently discussed [1], are clarified.

  10. X-ray Thomson scattering measurements from hohlraum-driven spheres on the OMEGA laser

    Science.gov (United States)

    Saunders, A. M.; Jenei, A.; Döppner, T.; Falcone, R. W.; Kraus, D.; Kritcher, A.; Landen, O. L.; Nilsen, J.; Swift, D.

    2016-11-01

    X-ray Thomson scattering (XRTS) is a powerful diagnostic for probing warm and hot dense matter. We present the design and results of the first XRTS experiments with hohlraum-driven CH2 targets on the OMEGA laser facility at the Laboratory for Laser Energetics in Rochester, NY. X-rays seen directly from the XRTS x-ray source overshadow the elastic scattering signal from the target capsule but can be controlled in future experiments. From the inelastic scattering signal, an average plasma temperature is inferred that is in reasonable agreement with the temperatures predicted by simulations. Knowledge gained in this experiment shows a promising future for further XRTS measurements on indirectly driven OMEGA targets.

  11. 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.

  12. An indirect method of X-ray spectra measurement by simultaneous attenuations of the scattered beam

    Energy Technology Data Exchange (ETDEWEB)

    Mainardi, Raul T. [Facultad de Matematica, Astronomia y Fisica (FaMAF), Universidad Nacional de Cordoba, Ciudad Universitaria, X5000HUA-Cordoba (Argentina)], E-mail: mainardi@famaf.unc.edu.ar; Bonzi, Edgardo V. [Facultad de Matematica, Astronomia y Fisica (FaMAF), Universidad Nacional de Cordoba, Ciudad Universitaria, X5000HUA-Cordoba (Argentina)

    2008-05-15

    Direct and indirect methods of X-ray spectra determination present obstacles to their practical use since they must position either the collimator-detector assembly or the attenuators-ionization chamber, respectively, along the X-ray beam direction. These arrangements require considerable space and in many instances the detectors promptly saturate. An indirect procedure, which overcomes the aforementioned problems, is developed. It consists of the scattering of the X-ray beam from a carbon disk, which is detected simultaneously by several detectors placed away from the beam. The X-ray flux reaching each of these detectors is attenuated in metal sheets of different thicknesses, thus obtaining simultaneously the attenuation curve values. A set of analytical equations are derived to calculate attenuation curves by taking into account all the absorption and elastic and inelastic scattering processes that a beam of photons undergoes when going from the X-ray tube to the detector. Users, even those who are not well acquainted with computer programming, can easily obtain the X-ray spectrum by a least square fitting of a measured attenuation curve to a previously derived analytical expression. A simulated Monte Carlo program of photon transport from the X-ray tube to the detector provided simulated attenuation curves data. Analytically calculated and simulated attenuation curves for the same input spectrum wholly overlap and furthermore, reconstructed spectra from both sets of curves for different kilovoltages are also in full agreement. Finally, in addition to the importance of having the detectors out of the beam direction, the proposed arrangement features other main advantages, namely, only one X-ray tube shot is needed to obtain the required data, the physical processes involved are very well known, analytical equations are easily interpreted, and the measuring apparatuses can be comparatively simple to assemble and operate.

  13. Small-angle X-ray scattering at the ESRF high-brillance beamline

    Energy Technology Data Exchange (ETDEWEB)

    Boesecke, P.; Diat, O. [European Synchrotron Radiation Facility (ESRF), 38 -Grenoble (France)

    1997-10-01

    The high-brilliance beamline (BL4/ID2) at the European synchrotron radiation facility (ESRF) in Grenoble has been constructed with the emphasis on time-resolved small-angle X-ray scattering and macromolecular crystallography. It has been open to users for two years. The beamline has opened up new areas in small-angle scattering research, facilitating (a) small-angle crystallography on structures with unit cells of several hundredths of nanometres, (b) overlap with the light scattering range for the study of optical systems, (c) high photon flux for time-resolved experiments and (d) a high spatial coherence allowing submicrometre imaging with X-rays. The set-up and the detector system of the small-angle scattering station are presented. A method for obtaining absolute scattering intensities is described. The parasitic background at the station is discussed in terms of absolute scattering intensities. (orig.). 22 refs.

  14. International workshop on resonant X-ray scattering in electrically-ordered systems

    Energy Technology Data Exchange (ETDEWEB)

    Collins, S.P.; Pettifer, R.F.; Laundy, D.; Ishida, K.; Kokubun, J.; Giles, C.; Yokaichiya, F.; Song, C.; Lee, K.B.; Ji, S.; Koo, J.; Park, Y.J.; Kim, J.Y.; Park, J.H.; Shin, H.J.; Rhyee, J.S.; Oh, B.H.; Cho, B.K.; Wilkins Stuart, B.; Paixao, J.A.; Caciuffo, R.; Javorsky, P.; Wastin, F.; Rebizant, J.; Detlefs, C.; Bernheoft, N.; Lander, G.H.; Bombardi, A.; Bergevin, F. de; Matteo, S. di; Paolasini, L.; Rodriguez-Carvajal, J.; Carretta, P.; Millet, P.; Caciuffo, R.; Goff, J.P.; Deen, P.P.; Lee, S.; Stunault, A.; Brown, S.; Mannix, D.; McIntyre, G.J.; Ward, R.C.C.; Wells, M.R.; Lorenzo, J.E.; Joly, Y.; Nazarenko, E.; Staub, U.; Srajer, G.; Haskel, D.; Choi, Y.; Lee, D.R.; Lang, J.C.; Meersschaut, J.; Jiang, J.S.; Bader, S.D.; Bouchenoire, L.; Brown, S.D.; Beesley, A.; Herring, A.; Thomas, M.; Thompson, P.; Langridge, S.; Stirling, W.G.; Mirone, A.; Lander, G.; Wilkins, S.; Ward, R.C.C.; Wells, M.R.; Zochowski, S.W.; Garcia, J.; Subias, G.; Blasco, J.; Sanchez, M.C.; Proietti, M.G.; Lovesey, S.W.; Dmitrienko, V.E.; Ovchinnikova, E.N.; Ishida, K.; Kokubun, J.; Kirfel, A.; Collins, S.P.; Laundy, D.; Oreshko, A.P.; Strange, P.; Horne, M.; Arola, E.; Winter, H.; Szotek, Z.; Temmerman, W.M.; Igarashi, J.; Usuda, M.; Takahashi, M.; Matteo, S. di; Bernhoeft, N.; Hill, J.P.; Lang, J.C.; McWhan, D.; Lee, D.R.; Haskel, D.; Srajer, G.; Hatton Peter, D.; Katsumata, K.; Braithwaite, D

    2004-07-01

    The research field of Resonant X-ray Scattering (RXS) has achieved tremendous progress in the last years. Nowadays RXS is rapidly becoming the crucial technique for investigating the subtleties of microscopic magnetism in systems where the ground state properties reflect a delicate balance between several different correlated processes. The aim of this workshop is to discuss present and future possibilities for RXS investigations of electronic order, including studies of charge, magnetic, and multipolar ordered states. The sessions will cover experimental and theoretical aspects of hard and soft X-ray resonant scattering from single crystals and thin films. This document gathers the summaries of the presentations.

  15. Investigation of the Electronic Structure of Solid Density Plasmas by X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gregori, G; Glenzer, S H; Forest, F J; Kuhlbrodt, S; Redmer, R; Faussurier, G; Blancard, C; Renaudin, P; Landen, O L

    2003-05-19

    We present an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. We use our theory to interpret x-ray scattering experiments from solid density carbon plasma and to extract accurate measurements of electron temperature, electron density and charge state. We use our experimental results to validate various equation-of-state models for carbon plasmas.

  16. Electronic Structure Measurement of Solid Density Plasmas using X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Gregori, G; Glenzer, S H; Rogers, F J; Landen, O L; Blancard, C; Faussurier, G; Renaudin, P; Kuhlbrodt, S; Redmer, R

    2003-08-23

    We present an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. We use our theory to interpret x-ray scattering experiments from solid density carbon plasma and to extract accurate measurements of electron temperature, electron density and charge state. We use our experimental results to validate various equation-of-state models for carbon plasmas.

  17. Determination of hydrodynamic properties of biopolymers from small-angle X-ray scattering data

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, J.J.; Damaschun, H.; Damaschun, G.; Gast, K.; Plietz, P.; Zirwer, D. (Akademie der Wissenschaften der DDR, Berlin. Zentralinstitut fuer Molekularbiologie)

    1984-10-17

    Sedimentation coefficients and translational diffusion coefficients can be determined semi-empirically from small angle X-ray scattering data. In general, the deviations of these coefficients from the experimental ones are less than 10% for proteins and small anisometrical RNA molecules within the range of molar masses from 1.7 x 10/sup 4/ to 3.5 x 10/sup 5/ g mol/sup -1/. The method can be used, furthermore, to test the consistency of experimental hydrodynamic and X-ray scattering data.

  18. Observations of non-collective x-ray scattering in warm dense carbon plasma

    Science.gov (United States)

    Lihua, Bao; Jiyan, Zhang; Xiaoding, Zhang; Yang, Zhao; Yongkun, Ding

    2012-12-01

    An experiment for observing the spectrally resolved non-collective x-ray scattering in warm dense carbon plasma is presented in this paper. The experiment used Ta M-band x-rays to heat a foamed carbon cylinder sample isochorically and measured the scattering spectrum with a HOPG crystal spectrometer. The spectrum was compared with the calculation results using a Born-Mermin-approximation model. The best fitting was found at an electron temperature of Te=34 eV and an electron density of ne=1.6×1023cm-3.

  19. From small angle x-ray scattering to reflectivity: Instrumentation and sample study

    Energy Technology Data Exchange (ETDEWEB)

    Hua, D.W. [Center for Micro-Engineered Ceramics, University of New Mexico, Albuquerque, New Mexico 87131-6041 (United States); Beaucage, G. [Department of Materials Science and Engineering, University of Cincinnati, Cincinnati, Ohio 45221-0012 (United States); Kent, M.S. [Sandia National Laboratory, Albuquerque, New Mexico 87185 (United States)

    1996-02-01

    In this study, we described the first results from an x-ray reflectometer which has been modified from an existing Kratky small angle x-ray scattering (SAXS) camera at the UNM/Sandia scattering center. Typically, seven orders of magnitude of reflectivity can be obtained over a range of 0.02 to 0.5 A{sup {minus}1} in {ital q}. This allows the resolution of surface features of 10 to 1000 A. The conversion to reflectometer is reversible and can be achieved in a short time, allowing for dual use of an existing Kratky camera. {copyright} {ital 1996 Materials Research Society.}

  20. Barbiturate bearing aroylhydrazine derivatives: Synthesis, NMR investigations, single crystal X-ray studies and biological activity

    Science.gov (United States)

    Giziroglu, Emrah; Sarikurkcu, Cengiz; Aygün, Muhittin; Basbulbul, Gamze; Soyleyici, H. Can; Firinci, Erkan; Kirkan, Bulent; Alkis, Ayse; Saylica, Tayfur; Biyik, Halil

    2016-03-01

    A series of barbituric acid aroylhydrazine derivatives have been prepared from their corresponding 1,3-dimethyl-5-acetyl barbituric acid and aroylhydrazines. All compounds have been fully characterized by using FT-IR, multinuclear NMR (1H, 13C) and Mass (MS) spectrometry. We also describe the X-ray crystal structure of 3a, which crystallizes in the monoclinic P21/n space group. The crystal structure is stabilized with infinite linear chains of dimeric units. Furthermore, all compounds were investigated for their tyrosinase inhibition, antioxidative and antimicrobial activies. The results from biological activity assays have shown that all of compounds have excellent antioxidant, significant tyrosinase inhibition and moderate antimicrobial activity.

  1. Demonstration of imaging X-ray Thomson scattering on OMEGA EP

    Science.gov (United States)

    Belancourt, Patrick X.; Theobald, Wolfgang; Keiter, Paul A.; Collins, Tim J. B.; Bonino, Mark J.; Kozlowski, Pawel M.; Regan, Sean P.; Drake, R. Paul

    2016-11-01

    Foams are a common material for high-energy-density physics experiments because of low, tunable densities, and being machinable. Simulating these experiments can be difficult because the equation of state is largely unknown for shocked foams. The focus of this experiment was to develop an x-ray scattering platform for measuring the equation of state of shocked foams on OMEGA EP. The foam used in this experiment is resorcinol formaldehyde with an initial density of 0.34 g/cm3. One long-pulse (10 ns) beam drives a shock into the foam, while the remaining three UV beams with a 2 ns square pulse irradiate a nickel foil to create the x-ray backlighter. The primary diagnostic for this platform, the imaging x-ray Thomson spectrometer, spectrally resolves the scattered x-ray beam while imaging in one spatial dimension. Ray tracing analysis of the density profile gives a compression of 3 ± 1 with a shock speed of 39 ± 6 km/s. Analysis of the scattered x-ray spectra gives an upper bound temperature of 20 eV.

  2. Ultrasmall Angle X-ray Scattering (USAXS) and Wide Angle X-ray Scattering (WAXS) Studies on the Complex Metal Hydride NaAlH4

    Science.gov (United States)

    Dobbins, Tabbetha; Bennett, Christopher; Torres, James; Ilavsky, Jan

    This research seeks to understand the role of ScCl , ZrCl , and VCl catalysts in NaAlH. We have examined these hydrides at multiple length scales using an X-ray scattering instrument which is capable of measuring scattering wave vector, Q, of 0.0001Å to 6.0 Å . The ultrasmall angle X-ray scattering (USAXS) instrument sector 9ID-D of the Advanced Photon Source (APS) simultaneously collects using USAXS, SAXS, and WAXS detectors. Studies were performed during in-situ heating up to 170C (just below the H desorption temperature for uncatalyzed NaAlH). Results showed that NaAlH has a surface fractal (highly porous) morphology. Isothermal studies performed at 30C, 65C, 100C, 135C, and 170C reveals changes at low Q (Q~0.001 Å to 0.01 Å) associated with highly interconnected intraparticle porosity which is suitably described by a power-law slope for a Gaussian polymer chain structure of p~2. At high scattering wave vector, Q~0.03 Å , the presence of a pore population which obeys Porod scattering and appears to have a size at 21nm is present. These fine pores increase in their population density as temperature is elevated. The WAXS data reveals thermal expansion to occur, but no solid state phase transformation to the product phase. Currently at NASA-Goddard.

  3. X-ray scattering study of the interplay between magnetism and structure in CeSb

    DEFF Research Database (Denmark)

    McMorrow, Desmond Francis; Lussier, J.-G.; Lebech, Bente

    1997-01-01

    The chemical and magnetic structures of CeSb have been investigated using high-resolution x-ray scattering techniques. Experiments performed in the non-resonant regime (x-ray energy of E = 9.4 keV) showed that when the sample was cooled below its Neel temperature of T-N approximate to 16.5 K, peaks...... appeared with commensurate wave vectors q. From their polarization and wave-vector dependence, the peaks are deduced to arise mainly from a periodic lattice distortion. In the resonant regime, when the x-ray energy was tuned to the L absorption edges of Ce, weak, resonantly enhanced magnetic scattering...... of the magnetic structure of CeSb....

  4. X-ray and neutron scattering studies of complex confined fluids.

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, S. K.

    1999-08-04

    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.

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

    Science.gov (United States)

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

    2016-01-01

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

  6. Inferring the electron temperature and density of shocked liquid deuterium using inelastic X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Regan, S P; Radha, P B; Boehly, T R; Goncharov, V N; McCrory, R L; Meyerhofer, D D; Sangster, T C; Smalyuk, V A [Laboratory for Laser Energetics, University of Rochester, 250 East River Road, Rochester, NY 14623-1299 (United States); Doeppner, T; Glenzer, S H; Landen, O L; Neumayer, P [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Falk, K; Gregori, G, E-mail: sreg@lle.rochester.ed [Oxford University, Oxford OX1 3PU (United Kingdom)

    2010-08-01

    An experiment designed to launch laser-ablation-driven shock waves (10 to 70 Mbar) in a planar liquid-deuterium target on the OMEGA Laser System and to diagnose the shocked conditions using inelastic x-ray scattering is described. The electron temperature (T{sub e}) is inferred from the Doppler-broadened Compton-downshifted peak of the noncollective ({alpha}{sub s} = 1k{lambda}{sub D} > 1) x-ray scattering for T{sub e} > T{sub Fermi}. The electron density (n{sub e}) is inferred from the downshifted plasmon peak of the collective ({alpha}{sub scatter} > 1) x-ray scattering. A cylindrical layer of liquid deuterium is formed in a cryogenic cell with 8-{mu}m-thick polyimide windows. The polyimide ablator is irradiated with peak intensities in the range of 10{sup 13} to 10{sup 15} W/cm{sup 2} and shock waves are launched. Predictions from a 1-D hydrodynamics code show the shocked deuterium has a thickness of {approx}0.1 mm with spatially uniform conditions. For the drive intensities under consideration, electron density up to {approx}5 x 10{sup 23} cm{sup -3} and electron temperature in the range of 10 to 25 eV are predicted. A laser-irradiated saran foil produces Cl Ly{sub {alpha}e}mission. The spectrally resolved x-ray scattering is recorded at 90{sup 0} for the noncollective scattering and at 40{sup 0} for the collective scattering with a highly oriented pyrolytic graphite (HOPG) crystal spectrometer and an x-ray framing camera.

  7. Molecular bond selective x-ray scattering for nanoscale analysisof soft matter

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, G.E.; Koprinarov, I.; Landes, B.G.; Lyons, J.; Kern,B.J.; Devon, M.J.; Gullikson, E.M.; Kortright, J.B.

    2005-05-26

    We introduce a new technique using resonant soft x-ray scattering for characterizing heterogeneous chemical structure at nanometer length scales in polymers, biological material, and other soft matter. Resonant enhancements bring new contrast mechanisms and increased sensitivity to bridge a gap between bond-specific contrast in chemical sensitive imaging and the higher spatial resolution of traditional small-angle scattering techniques. We illustrate sensitivity to chemical bonding with the resonant scattering near the carbon K edge from latex spheres of differing chemistry and sizes. By tuning to x-ray absorption resonances associated with particular carbon-carbon or carbon-oxygen bonds we can isolate the scattering from different phases in a 2-phase mixture. We then illustrate this increased scattering contrast with a study of the templating process to form nanometer scale pores in 100 nm thick polymer films.

  8. Upgrade of X-band thermionic cathode RF gun for Compton scattering X-ray source

    Science.gov (United States)

    Taniguchi, Yoshihiro; Sakamoto, Fumito; Natsui, Takuya; Yamamoto, Tomohiko; Hashimoto, Eiko; Lee, KiWoo; Uesaka, Mitsuru; Yoshida, Mitsuhiro; Higo, Toshiyasu; Fukuda, Shigeki; Akemoto, Mitsuo

    2009-09-01

    A Compton scattering X-ray source consisting of an X-band (11.424 GHz) electron linear accelerator (linac) and Q-switched Nd: YAG laser is currently under development at the University of Tokyo. Monochromatic X-rays are required for a variety of medical and biological applications. The X-ray source produces monochromatic X-rays via collision between a 35-MeV multi-bunch (104 bunches in a 1 μs RF pulse) electron beam and 1.4 J/10 ns (532 nm) Nd: YAG laser pulse. The linac uses an X-band 3.5-cell thermionic cathode RF gun and an alpha magnet as an injector. Until now, electron beam generation (2 MeV, 1 pC/bunch at the exit of the injector), beam acceleration, and X-ray generation have been verified. In order to increase X-ray energy and intensity, we have completed the design and construction of a new RF gun with relevant modifications in some structures. In this paper, we describe the details of the concepts of designing a new RF gun and discuss future works.

  9. Characterization of x-ray imaging crystal spectrometer for high-resolution spatially-resolved x-ray Thomson scattering measurements in shock-compressed experiments

    Science.gov (United States)

    Lu, J.; Hill, K. W.; Bitter, M.; Pablant, N. A.; Delgado-Aparicio, L. F.; Efthimion, P. C.; Lee, H. J.; Zastrau, U.

    2017-01-01

    We have proposed, designed and built a dual-channel x-ray imaging crystal spectrometer (XICS) for spectrally- and spatially-resolved x-ray Thomson scattering (XRTS) measurements in the Matter in Extreme Conditions (MEC) end station at the Linac Coherent Light Source (LCLS). This spectrometer employs two spherically-bent germanium (Ge) 220 crystals, which are combined to form a large aperture dispersive element with a spectral bandwidth of 300 eV that enables both the elastic and inelastic x-ray scattering peaks to be simultaneously measured. The apparatus and its characterization are described. A resolving power of 1900 was demonstrated and a spatial resolution of 12 μm was achieved in calibration tests. For XRTS measurements, a narrow-bandwidth (ΔE/Ecarbon plasma produced in shock-compressed samples of different forms of carbon. Preliminary results of the scattering experiments from Pyrolytic Graphite samples that illustrate the utility of the instrument are presented.

  10. Building a Unified Computational Model for the Resonant X-Ray Scattering of Strongly Correlated Materials

    Energy Technology Data Exchange (ETDEWEB)

    Bansil, Arun [Northeastern Univ., Boston, MA (United States)

    2016-12-01

    Basic-Energy Sciences of the Department of Energy (BES/DOE) has made large investments in x-ray sources in the U.S. (NSLS-II, LCLS, NGLS, ALS, APS) as powerful enabling tools for opening up unprecedented new opportunities for exploring properties of matter at various length and time scales. The coming online of the pulsed photon source literally allows us to see and follow the dynamics of processes in materials at their natural timescales. There is an urgent need therefore to develop theoretical methodologies and computational models for understanding how x-rays interact with matter and the related spectroscopies of materials. The present project addressed aspects of this grand challenge of X-ray science. In particular, our Collaborative Research Team (CRT) focused on understanding and modeling of elastic and inelastic resonant X-ray scattering processes. We worked to unify the three different computational approaches currently used for modeling X-ray scattering—density functional theory, dynamical mean-field theory, and small-cluster exact diagonalization—to achieve a more realistic material-specific picture of the interaction between X-rays and complex matter. To achieve a convergence in the interpretation and to maximize complementary aspects of different theoretical methods, we concentrated on the cuprates, where most experiments have been performed. Our team included both US and international researchers, and it fostered new collaborations between researchers currently working with different approaches. In addition, we developed close relationships with experimental groups working in the area at various synchrotron facilities in the US. Our CRT thus helped toward enabling the US to assume a leadership role in the theoretical development of the field, and to create a global network and community of scholars dedicated to X-ray scattering research.

  11. Reconstruction of the X-ray tube spectrum from a scattering measurement

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez, Jorge E., E-mail: jorge.fernandez@unibo.it [Laboratory of Montecuccolino, Department of Energy, Nuclear and Environmental Control Engineering (DIENCA), Alma Mater Studiorum University of Bologna, via dei Colli,16, I-40136, Bologna (Italy); Scot, Viviana [Laboratory of Montecuccolino, Department of Energy, Nuclear and Environmental Control Engineering (DIENCA), Alma Mater Studiorum University of Bologna, via dei Colli,16, I-40136, Bologna (Italy); Bare, Jonathan [Laboratory of Montecuccolino, Department of Energy, Nuclear and Environmental Control Engineering (DIENCA), Alma Mater Studiorum University of Bologna, via dei Colli,16, I-40136, Bologna (Italy); Laboratory of Nuclear and Radiological Physics, Institut Superieur Industriel de Bruxelles (ISIB) (Belgium); Tondeur, Francois [Laboratory of Nuclear and Radiological Physics, Institut Superieur Industriel de Bruxelles (ISIB) (Belgium); Gallardo, Sergio; Rodenas, Jose [Department of Chemical and Nuclear Engineering, Polytechnic University of Valencia (Spain); Rossi, Pier Luca [Operational Unit of Health Physics, Alma Mater Studiorum University of Bologna (Italy)

    2012-07-15

    An inverse technique has been designed to unfold the x-ray tube spectrum from the measurement of the photons scattered by a target interposed in the path of the beam. A special strategy is necessary to circumvent the ill-conditioning of the forward transport algebraic problem. The proposed method is based on the calculation of both, the forward and adjoint analytical solutions of the Boltzmann transport equation. After testing the method with numerical simulations, a simple prototype built at the Operational Unit of Health Physics of the University of Bologna was used to test the method experimentally. The reconstructed spectrum was validated by comparison with a straightforward measurement of the X-ray beam. The influence of the detector was corrected in both cases using standard unfolding techniques. The method is capable to accurately characterize the intensity distribution of an X-ray tube spectrum, even at low energies where other methods fail. - Highlights: Black-Right-Pointing-Pointer A complete inverse technique of source unfolding is presented. Black-Right-Pointing-Pointer The X-ray tube spectrum is recovered from a scattering measurement. Black-Right-Pointing-Pointer The ill conditioning of the plain forward transport algebraic problem is avoided. Black-Right-Pointing-Pointer Forward and adjoint solutions of the Boltzmann transport equation are used. Black-Right-Pointing-Pointer The technique characterizes X-ray tube spectra even at low energies.

  12. Protein structural dynamics in solution unveiled via 100-ps time-resolved x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Hyun Sun; Dashdorj, Naranbaatar; Schotte, Friedrich; Graber, Timothy; Henning, Robert; Anfinruda, Philip (NIH); (UC)

    2010-04-21

    We have developed a time-resolved x-ray scattering diffractometer capable of probing structural dynamics of proteins in solution with 100-ps time resolution. This diffractometer, developed on the ID14B BioCARS (Consortium for Advanced Radiation Sources) beamline at the Advanced Photon Source, records x-ray scattering snapshots over a broad range of q spanning 0.02-2.5 {angstrom}{sup -1}, thereby providing simultaneous coverage of the small-angle x-ray scattering (SAXS) and wide-angle x-ray scattering (WAXS) regions. To demonstrate its capabilities, we have tracked structural changes in myoglobin as it undergoes a photolysis-induced transition from its carbon monoxy form (MbCO) to its deoxy form (Mb). Though the differences between the MbCO and Mb crystal structures are small (rmsd < 0.2 {angstrom}), time-resolved x-ray scattering differences recorded over 8 decades of time from 100 ps to 10 ms are rich in structure, illustrating the sensitivity of this technique. A strong, negative-going feature in the SAXS region appears promptly and corresponds to a sudden > 22 {angstrom}{sup 3} volume expansion of the protein. The ensuing conformational relaxation causes the protein to contract to a volume {approx}2 {angstrom}{sup 3} larger than MbCO within {approx}10 ns. On the timescale for CO escape from the primary docking site, another change in the SAXS/WAXS fingerprint appears, demonstrating sensitivity to the location of the dissociated CO. Global analysis of the SAXS/WAXS patterns recovered time-independent scattering fingerprints for four intermediate states of Mb. These SAXS/WAXS fingerprints provide stringent constraints for putative models of conformational states and structural transitions between them.

  13. Elementary scattering theory for X-ray and neutron users

    CERN Document Server

    Sivia, D S

    2011-01-01

    The opportunities for doing scattering experiments at synchrotron and neutron facilities have grown rapidly in recent years and are set to continue to do so into the foreseeable future. This text provides a basic understanding of how these techniques enable the structure and dynamics of materials to be studied at the atomic and molecular level. Although mathematics cannot be avoided in a theoretical discussion, the aim has been to write a book that most scientists will still find approachable. To this end, the first two chapters are devoted to providing a tutorial background in the mathematics and physics that are implicitly assumed in other texts. Thereafter, the philosophy has been one of keeping things as simple as possible.

  14. High resolution X-ray scattering studies of substrates and multilayers

    DEFF Research Database (Denmark)

    Christensen, Finn Erland

    1988-01-01

    High resolution X-ray scattering measurements on multilayer substrates and surfaces are reviewed. It is shown that the usual substrates of float glass and Si-wafers are dominated by large scale figure error, whereas samples of super polished SiC substrates are comparable in flatness and roughness...

  15. Diffuse X-ray scattering and far infrared absorption of barium and lead β" aluminas

    DEFF Research Database (Denmark)

    Hayes, W.; Kjær, Kristian; Pratt, F. L.;

    1985-01-01

    The authors have carried out high-momentum-resolution studies in diffuse X-ray scattering of barium and lead B" aluminas in the temperature range 20-700 degrees C. They have also measured the vibrational spectra of these compounds between 2K and 300K in the energy range 10-100 cm-1. The results a...

  16. Ultra Small-angle X-ray Scattering Study of Flocculation in Silica-filled Rubber

    NARCIS (Netherlands)

    Mihara, S.; Datta, R.N.; Dierkes, W.K.; Noordermeer, J.W.M.; Amino, N.; Ishikawa, Y.; Nishitsuji, S.; Takenaka, M.

    2014-01-01

    The flocculation of silica during vulcanization is monitored using the ultra small-angle X-ray scattering technique for two different types of silica: a highly dispersible silica (HD) and a conventional silica (CV), mixed into a blend of S-SBR and BR rubbers. The cutoff length of the silica aggregat

  17. A multiplexed high-resolution imaging spectrometer for resonant inelastic soft X-ray scattering spectroscopy.

    Science.gov (United States)

    Warwick, Tony; Chuang, Yi De; Voronov, Dmitriy L; Padmore, Howard A

    2014-07-01

    The optical design of a two-dimensional imaging soft X-ray spectrometer is described. A monochromator will produce a dispersed spectrum in a narrow vertical illuminated stripe (∼2 µm wide by ∼2 mm tall) on a sample. The spectrometer will use inelastically scattered X-rays to image the extended field on the sample in the incident photon energy direction (vertical), resolving the incident photon energy. At the same time it will image and disperse the scattered photons in the orthogonal (horizontal) direction, resolving the scattered photon energy. The principal challenge is to design a system that images from the flat-field illumination of the sample to the flat field of the detector and to achieve sufficiently high spectral resolution. This spectrometer provides a completely parallel resonant inelastic X-ray scattering measurement at high spectral resolution (∼30,000) over the energy bandwidth (∼5 eV) of a soft X-ray absorption resonance.

  18. Resonant soft x-ray scattering and charge density waves in correlated systems

    NARCIS (Netherlands)

    Rusydi, Andrivo

    2006-01-01

    Summary This work describes results obtained on the study of charge density waves (CDW) in strongly correlated systems with a new experimental method: resonant soft x-ray scattering (RSXS). The basic motivation is the 1986 discovery by Bednorz and Müler of a new type of superconductor, based on Cu a

  19. Oil classification using X-ray scattering and principal component analysis

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Danielle S.; Souza, Amanda S.; Lopes, Ricardo T., E-mail: dani.almeida84@gmail.com, E-mail: ricardo@lin.ufrj.br, E-mail: amandass@bioqmed.ufrj.br [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil); Oliveira, Davi F.; Anjos, Marcelino J., E-mail: davi.oliveira@uerj.br, E-mail: marcelin@uerj.br [Universidade do Estado do Rio de Janeiro (UERJ), Rio de Janeiro, RJ (Brazil). Inst. de Fisica Armando Dias Tavares

    2015-07-01

    X-ray scattering techniques have been considered promising for the classification and characterization of many types of samples. This study employed this technique combined with chemical analysis and multivariate analysis to characterize 54 vegetable oil samples (being 25 olive oils)with different properties obtained in commercial establishments in Rio de Janeiro city. The samples were chemically analyzed using the following indexes: iodine, acidity, saponification and peroxide. In order to obtain the X-ray scattering spectrum, an X-ray tube with a silver anode operating at 40kV and 50 μA was used. The results showed that oils cab ne divided in tow large groups: olive oils and non-olive oils. Additionally, in a multivariate analysis (Principal Component Analysis - PCA), two components were obtained and accounted for more than 80% of the variance. One component was associated with chemical parameters and the other with scattering profiles of each sample. Results showed that use of X-ray scattering spectra combined with chemical analysis and PCA can be a fast, cheap and efficient method for vegetable oil characterization. (author)

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

    NARCIS (Netherlands)

    Abramova, V.V.; Sinitskii, A.S.; Grigoryeva, N.A.; Grigoriev, S.V.; Belov, D.V.; Petukhov, A.V.; Mistonov, A.A.; Vasilieva, A.V.; Tretyakov, Y.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 disti

  1. On the calculation of x-ray scattering signals from pairwise radial distribution functions

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Biasin, Elisa; Haldrup, Kristoffer;

    2015-01-01

    We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any possi...

  2. Count rates and structure factors in anomalous soft x-ray scattering from cuprate superconductors

    NARCIS (Netherlands)

    Abbamonte, P; Rusydi, A; Logvenov, G; Bozovic, [No Value; Sawatzky, GA; Venema, L.C.; Bozovic,; Pavuna, D

    2002-01-01

    It has recently been shown that x-ray diffraction from the doped holes in cuprates can be enhanced by 3-4 orders of magnitude by exploiting resonance effects in the oxygen K shell. This new type of anomalous scattering is direct way of probing ground state inhomogeneity in the mobile carrier liquid

  3. 4 f excitations in Ce Kondo lattices studied by resonant inelastic x-ray scattering

    Science.gov (United States)

    Amorese, A.; Dellea, G.; Fanciulli, M.; Seiro, S.; Geibel, C.; Krellner, C.; Makarova, I. P.; Braicovich, L.; Ghiringhelli, G.; Vyalikh, D. V.; Brookes, N. B.; Kummer, K.

    2016-04-01

    The potential of resonant inelastic soft x-ray scattering to measure 4 f crystal electric-field excitation spectra in Ce Kondo lattices has been examined. Spectra have been obtained for several Ce systems and show a well-defined structure determined by crystal-field, spin-orbit, and charge-transfer excitations only. The spectral shapes of the excitation spectra can be well understood in the framework of atomic multiplet calculations. For CeCu2Si2 we found notable disagreement between the inelastic x-ray-scattering spectra and theoretical calculations when using the crystal-field scheme proposed from inelastic neutron scattering. Modified sets of crystal-field parameters yield better agreement. Our results also show that, with the very recent improvements of soft x-ray spectrometers in resolution to below 30 meV at the Ce M4 ,5 edges, resonant inelastic x-ray scattering could be an ideal tool to determine the crystal-field scheme in Ce Kondo lattices and other rare-earth compounds.

  4. Resonant soft x-ray scattering and charge density waves in correlated systems

    NARCIS (Netherlands)

    Rusydi, Andrivo

    2006-01-01

    Summary This work describes results obtained on the study of charge density waves (CDW) in strongly correlated systems with a new experimental method: resonant soft x-ray scattering (RSXS). The basic motivation is the 1986 discovery by Bednorz and Müler of a new type of superconductor, based on Cu

  5. A United Effort for Crystal Growth, Neutron Scattering, and X-ray Scattering Studies of Novel Correlated Electron Materials

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young S. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2015-02-12

    The research accomplishments during the award involved experimental studies of correlated electron systems and quantum magnetism. The techniques of crystal growth, neutron scattering, x-ray scattering, and thermodynamic & transport measurements were employed, and graduate students and postdoctoral research associates were trained in these techniques.

  6. Full three-dimensional direction-dependent x-ray scattering tomography

    Science.gov (United States)

    Zhu, Zheyuan; Pang, Shuo

    2017-03-01

    Small-angle X-ray scattering (SAXS) detects the angular-dependent, coherently scattered X-ray photons, which provide improved contrast among different types of tissues or materials in medical diagnosis and material characterizations. By combining SAXS with computed tomography (CT), coherent scattering computed tomography (CSCT) enables the detection of spatially-resolved, material-specific scattering profile inside an extended object. However, conventional CSCT lacks the ability to distinguish direction-dependent coherent scattering signal, because of its assumptions that the materials are amorphous with isotropic scattering profiles. To overcome this issue, we propose a new CSCT imaging strategy, which can resolve the three-dimensional scattering profile for each object pixel, by incorporating detector movement into each CSCT projection measurement. The full reconstruction of the three-dimensional momentum transfer profile of a two-dimensional object has been successfully demonstrated. Our setup only requires a table-top Xray source and a panel detector. The presented method demonstrates the potential to achieve low-cost, high-specificity X-ray tissue imaging and material characterization.

  7. Soft X-Ray Thomson Scattering in Warm Dense Hydrogen at FLASH

    Energy Technology Data Exchange (ETDEWEB)

    Faustlin, R R; Toleikis, S; Bornath, T; Doppner, T; Dusterer, S; Forster, E; Fortmann, C; Glenzer, S H; Gode, S; Gregori, G; Irsig, R; Laarmann, T; Lee, H J; Li, B; Meiwes-Broer, K; Mithen, J; Przystawik, A; Redlin, H; Redmer, R; Reinholz, H; Ropke, G; Tavella, F; Thiele, R; Tiggesbaumker, J; Uschmann, I; Zastrau, U; Tschentscher, T

    2009-07-15

    We present collective Thomson scattering with soft x-ray free electron laser radiation as a method to track the evolution of warm dense matter plasmas with {approx}200 fs time resolution. In a pump-probe scheme an 800 nm laser heats a 20 {micro}m hydrogen droplet to the plasma state. After a variable time delay in the order of ps the plasma is probed by an x-ray ultra violet (XUV) pulse which scatters from the target and is recorded spectrally. Alternatively, in a self-Thomson scattering experiment, a single XUV pulse heats the target while a portion of its photons are being scattered probing the target. From such inelastic x-ray scattering spectra free electron temperature and density can be inferred giving insight on relaxation time scales in plasmas as well as the equation of state. We prove the feasibility of this method in the XUV range utilizing the free electron laser facility in Hamburg, FLASH. We recorded Thomson scattering spectra for hydrogen plasma, both in the self-scattering and in the pump-probe mode using optical laser heating.

  8. Theory of Anomalous X-Ray Scattering in Orbital-Ordered Manganites

    Science.gov (United States)

    Ishihara, Sumio; Maekawa, Sadamichi

    1998-04-01

    We study the theory of the anomalous x-ray scattering in relation to its role as a detector of the orbital orderings and excitations in perovskite manganites. The scattering matrix is given by virtual electron excitations in Mn from the 1s level to the unoccupied 4p level. We find that the orbital dependence of the Coulomb interaction between 3d and 4p electrons is essential to the anisotropy of the scattering factor near the K edge. The calculated results in MnO6 clusters explain the forbidden reflections observed in La0.5Sr1.5MnO4 and LaMnO3. The possibility of observing orbital waves with x-ray scattering is discussed as well.

  9. Small Angle X-Ray Scattering from Lipid-Bound Myelin Basic Protein in Solution

    Science.gov (United States)

    Haas, H.; Oliveira, C. L. P.; Torriani, I. L.; Polverini, E.; Fasano, A.; Carlone, G.; Cavatorta, P.; Riccio, P.

    2004-01-01

    The structure of myelin basic protein (MBP), purified from the myelin sheath in both lipid-free (LF-MBP) and lipid-bound (LB-MBP) forms, was investigated in solution by small angle x-ray scattering. The water-soluble LF-MBP, extracted at pH 7.0. Under all conditions, the scattering from the two protein forms was different, indicating different molecular shapes. For the LB-MBP, well-defined scattering curves were obtained, suggesting that the protein had a unique, compact (but not globular) structure. Furthermore, these data were compatible with earlier results from molecular modeling calculations on the MBP structure which have been refined by us. In contrast, the LF-MBP data were in accordance with the expected open-coil conformation. The results represent the first direct structural information from x-ray scattering measurements on MBP in its native lipidic environment in solution. PMID:14695288

  10. Fast scattering simulation tool for multi-energy x-ray imaging

    Energy Technology Data Exchange (ETDEWEB)

    Sossin, A., E-mail: artur.sossin@cea.fr [CEA-LETI MINATEC Grenoble, F-38054 Grenoble (France); Tabary, J.; Rebuffel, V. [CEA-LETI MINATEC Grenoble, F-38054 Grenoble (France); Létang, J.M.; Freud, N. [Université de Lyon, CREATIS, CNRS UMR5220, Inserm U1044, INSA-Lyon, Université Claude Bernard Lyon 1, Centre Léon Bérard (France); Verger, L. [CEA-LETI MINATEC Grenoble, F-38054 Grenoble (France)

    2015-12-01

    A combination of Monte Carlo (MC) and deterministic approaches was employed as a means of creating a simulation tool capable of providing energy resolved x-ray primary and scatter images within a reasonable time interval. Libraries of Sindbad, a previously developed x-ray simulation software, were used in the development. The scatter simulation capabilities of the tool were validated through simulation with the aid of GATE and through experimentation by using a spectrometric CdTe detector. A simple cylindrical phantom with cavities and an aluminum insert was used. Cross-validation with GATE showed good agreement with a global spatial error of 1.5% and a maximum scatter spectrum error of around 6%. Experimental validation also supported the accuracy of the simulations obtained from the developed software with a global spatial error of 1.8% and a maximum error of around 8.5% in the scatter spectra.

  11. Low-angle polarized neutron and X-ray scattering from magnetic nanolayers and nanostructures

    CERN Document Server

    Paul, Amitesh

    2017-01-01

    This research monograph presents the latest results related to the characterization of low dimensional systems. Low-angle polarized neutron scattering and X-ray scattering at grazing incidence are used as the two main techniques to explore various physical phenomena of these systems. Special focus is put on systems like thin film transition metal and rare-earth layers, oxide heterostructures, hybrid systems, self-assembled nanostructures and self-diffusion.  Readers will gain in-depth knowledge about the usage of specular scattering and off-specular scattering techniques. Investigation of in-plane and out-of-plane structures and magnetism with vector magnetometric information is illustrated comprehensively. The book caters to a wide audience working in the field of nano-dimensional magnetic systems and the neutron and X-ray reflectometry community in particular.

  12. Propagation and scattering of high-intensity X-ray pulses in dense atomic gases and plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Weninger, Clemens

    2015-10-15

    Nonlinear spectroscopy in the X-ray domain is a promising technique to explore the dynamics of elementary excitations in matter. X-rays provide an element specificity that allows them to target individual chemical elements, making them a great tool to study complex molecules. The recent advancement of X-ray free electron lasers (XFELs) allows to investigate non-linear processes in the X-ray domain for the first time. XFELs provide short femtosecond X-ray pulses with peak powers that exceed previous generation synchrotron X-ray sources by more than nine orders of magnitude. This thesis focuses on the theoretical description of stimulated emission processes in the X-ray regime in atomic gases. These processes form the basis for more complex schemes in molecules and provide a proof of principle for nonlinear X-ray spectroscopy. The thesis also includes results from two experimental campaigns at the Linac Coherent Light Source and presents the first experimental demonstration of stimulated X-ray Raman scattering. Focusing an X-ray free electron laser beam into an elongated neon gas target generates an intense stimulated X-ray emission beam in forward direction. If the incoming X-rays have a photon energy above the neon K edge, they can efficiently photo-ionize 1s electrons and generate short-lived core excited states. The core-excited states decay mostly via Auger decay but have a small probability to emit a spontaneous X-ray photon. The spontaneous emission emitted in forward direction can stimulate X-ray emission along the medium and generate a highly directional and intense X-ray laser pulse. If the photon energy of the incoming X-rays however is below the ionization edge in the region of the pre-edge resonance the incoming X-rays can be inelastically scattered. This spontaneous X-ray Raman scattering process has a very low probability, but the spontaneously scattered photons in the beginning of the medium can stimulate Raman scattering along the medium. The

  13. Cryogenic system for X-ray Compton scattering measurements of superfluid helium below 2 K

    Science.gov (United States)

    Tanaka, Hiroyuki; Yamaguchi, Akira; Koizumi, Akihisa; Kawasaki, Ikuto; Sumiyama, Akihiko; Itou, Masayoshi; Sakurai, Yoshiharu

    2017-07-01

    A cryostat was constructed for high-resolution X-ray Compton scattering measurements at temperature down to 1.7 K, in order to investigate superfluid helium-4. Compton profiles of helium were measured using synchrotron X-rays for gas and liquid phases, respectively. In the measurement of the liquid phase, we succeeded in measuring the Compton profile of the superfluid helium at 1.7 K. Comparison of the results with theoretical calculation reveals importance of many-body effects beyond the mean-field treatment of electron systems.

  14. An explosives detection system for airline security using coherent x-ray scattering technology

    Science.gov (United States)

    Madden, Robert W.; Mahdavieh, Jacob; Smith, Richard C.; Subramanian, Ravi

    2008-08-01

    L-3 Communications Security and Detection Systems (SDS) has developed a new system for automated alarm resolution in airline baggage Explosive Detection Systems (EDS) based on coherent x-ray scattering spectroscopy. The capabilities of the system were demonstrated in tests with concealed explosives at the Transportation Security Laboratory and airline passenger baggage at Orlando International Airport. The system uses x-ray image information to identify suspicious objects and performs targeted diffraction measurements to classify them. This extra layer of detection capability affords a significant reduction in the rate of false alarm objects that must presently be resolved by opening passenger bags for hand inspection.

  15. Neutron and X-ray scattering on Li-doped BPO 4

    Science.gov (United States)

    Jak, M. J. G.; Verhoeven, V. W. J.; de Schepper, I. M.; Mulder, F. M.; Kelder, E. M.; Schoonman, J.

    1999-05-01

    The structure of pure BPO 4 and Li-doped BPO 4 has been studied by neutron and X-ray scattering. Rietveld refinement of the neutron and X-ray spectra of the doped material did not show additional phases or a lithium superstructure. It appears that the interstitial Li +-ions as well as the charge compensating boron vacancies and substitutionally incorporated Li +-ions on boron sites are randomly distributed over the lattice resulting only in a slight change in peak intensities. The relevance of QENS for ceramic Li-ion batteries is discussed.

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

    Science.gov (United States)

    Shintake, Tsumoru

    2008-10-01

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

  17. Probing near-solid density plasmas using soft x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Toleikis, S; Duesterer, S; Faeustlin, R R; Laarmann, T; Redlin, H [Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg (Germany); Bornath, T; Goede, S; Irsig, R; Meiwes-Broer, K-H; Przystawik, A [Institut fuer Physik, Universitaet Rostock, Universitaetsplatz 3, 18051 Rostock (Germany); Doeppner, T; Glenzer, S H [Lawrence Livermore National Laboratory, 7000 East Av., Livermore, CA 94550 (United States); Foerster, E [Institut fuer Optik und Quantenelektronik, Friedrich-Schiller-Universitaet Jena, Max-Wien-Platz 1, 07743 Jena (Germany); Fortmann, C [Department of Physics and Astronomy, University of California, Los Angeles, CA 90095 (United States); Gregori, G; Mithen, J [Department of Physics, Clarendon Laboratory, University of Oxford, Parks Road, Oxford, OX1 3PU (United Kingdom); Lee, H J; Nagler, B [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Li, B [Central Laser Facility, Rutherford Appleton Laboratory, Didcot, OX11 0QX (United Kingdom); Radcliffe, P, E-mail: sven.toleikis@desy.d [European XFEL GmbH, Albert-Einstein-Ring 19, 22671 Hamburg (Germany)

    2010-10-14

    X-ray scattering using highly brilliant x-ray free-electron laser (FEL) radiation provides new access to probe free-electron density, temperature and ionization in near-solid density plasmas. First experiments at the soft x-ray FEL FLASH at DESY, Hamburg, show the capabilities of this technique. The ultrashort FEL pulses in particular can probe equilibration phenomena occurring after excitation of the plasma using ultrashort optical laser pumping. We have investigated liquid hydrogen and find that the interaction of very intense soft x-ray FEL radiation alone heats the sample volume. As the plasma establishes, photons from the same pulse undergo scattering, thus probing the transient, warm dense matter state. We find a free-electron density of (2.6 {+-} 0.2) x 10{sup 20} cm{sup -3} and an electron temperature of 14 {+-} 3.5 eV. In pump-probe experiments, using intense optical laser pulses to generate more extreme states of matter, this interaction of the probe pulse has to be considered in the interpretation of scattering data. In this paper, we present details of the experimental setup at FLASH and the diagnostic methods used to quantitatively analyse the data.

  18. An x ray scatter approach for non-destructive chemical analysis of low atomic numbered elements

    Science.gov (United States)

    Ross, H. Richard

    1993-01-01

    A non-destructive x-ray scatter (XRS) approach has been developed, along with a rapid atomic scatter algorithm for the detection and analysis of low atomic-numbered elements in solids, powders, and liquids. The present method of energy dispersive x-ray fluorescence spectroscopy (EDXRF) makes the analysis of light elements (i.e., less than sodium; less than 11) extremely difficult. Detection and measurement become progressively worse as atomic numbers become smaller, due to a competing process called 'Auger Emission', which reduces fluorescent intensity, coupled with the high mass absorption coefficients exhibited by low energy x-rays, the detection and determination of low atomic-numbered elements by x-ray spectrometry is limited. However, an indirect approach based on the intensity ratio of Compton and Rayleigh scattered has been used to define light element components in alloys, plastics and other materials. This XRS technique provides qualitative and quantitative information about the overall constituents of a variety of samples.

  19. Development and characterization of a tunable ultrafast X-ray source via inverse-Compton-scattering

    Energy Technology Data Exchange (ETDEWEB)

    Jochmann, Axel

    2014-07-01

    will serve as a milestone and starting point for the scaling of the X-ray flux based on available interaction parameters of an ultrashort bright X-ray source at the ELBE center for high power radiation sources. The knowledge of the spatial and spectral distribution of photons from an inverse Compton scattering source is essential in designing future experiments as well as for tailoring the X-ray spectral properties to an experimental need.

  20. Analysis of microroughness evolution in X-ray astronomical multilayer mirrors by surface topography with the MPES program and by X-ray scattering

    CERN Document Server

    Canestrari, R; Pareschi, G

    2015-01-01

    Future hard X-ray telescopes (e.g. SIMBOL-X and Constellation-X) will make use of hard X-ray optics with multilayer coatings, with angular resolutions comparable to the achieved ones in the soft X-rays. One of the crucial points in X-ray optics, indeed, is multilayer interfacial microroughness that causes effective area reduction and X-Ray Scattering (XRS). The latter, in particular, is responsible for image quality degradation. Interfacial smoothness deterioration in multilayer deposition processes is commonly observed as a result of substrate profile replication and intrinsic random deposition noise. For this reason, roughness growth should be carefully investigated by surface topographic analysis, X-ray reflectivity and XRS measurements. It is convenient to express the roughness evolution in terms of interface Power Spectral Densities (PSD), that are directly related to XRS and, in turn, in affecting the optic HEW (Half Energy Width). In order to interpret roughness amplification and to help us to predict ...

  1. Theme Article - Time-Resolved X-Ray Scattering from Coherent Excitations in Solids

    Energy Technology Data Exchange (ETDEWEB)

    Trigo, Mariano; Reis, David (SLAC)

    2010-10-22

    Recent advances in pulsed x-ray sources have opened up new opportunities to study the dynamics of matter directly in the time domain with picosecond to femtosecond resolution. In this article, we present recent results from a variety of ultrafast sources on time-resolved x-ray scattering from elementary excitations in periodic solids. A few representative examples are given on folded acoustic phonons, coherent optical phonons, squeezed phonons, and polaritons excited by femtosecond lasers. Next-generation light sources, such as the x-ray-free electron laser, will lead to improvements in coherence, flux, and pulse duration. These experiments demonstrate potential opportunities for studying matter far from equilibrium on the fastest time scales and shortest distances that will be available in the coming years.

  2. Inelastic X-ray scattering experiments at extreme conditions: high temperatures and high pressures

    Directory of Open Access Journals (Sweden)

    S.Hosokawa

    2008-03-01

    Full Text Available In this article, we review the present status of experimental techniques under extreme conditions of high temperature and high pressure used for inelastic X-ray scattering (IXS experiments of liquid metals, semiconductors, molten salts, molecular liquids, and supercritical water and methanol. For high temperature experiments, some types of single-crystal sapphire cells were designed depending on the temperature of interest and the sample thickness for the X-ray transmission. Single-crystal diamond X-ray windows attached to the externally heated high-pressure vessel were used for the IXS experiment of supercritical water and methanol. Some typical experimental results are also given, and the perspective of IXS technique under extreme conditions is discussed.

  3. The X-Ray Polarization Signature of Quiescent Magnetars: Effect of Magnetospheric Scattering and Vacuum Polarization

    CERN Document Server

    Fernández, Rodrigo

    2011-01-01

    In the magnetar model, the quiescent non-thermal soft X-ray emission from Anomalous X-ray Pulsars and Soft-Gamma Repeaters is thought to arise from resonant comptonization of thermal photons by charges moving in a twisted magnetosphere. Robust inference of physical quantities from observations is difficult, because the process depends strongly on geometry and current understanding of the magnetosphere is not very deep. The polarization of soft X-ray photons is an independent source of information, and its magnetospheric imprint remains only partially explored. In this paper we calculate how resonant cyclotron scattering would modify the observed polarization signal relative to the surface emission, using a multidimensional Monte Carlo radiative transfer code that accounts for the gradual coupling of polarization eigenmodes as photons leave the magnetosphere. We employ a globally-twisted, self-similar, force-free magnetosphere with a power-law momentum distribution, assume a blackbody spectrum for the seed pho...

  4. Imaging of Biological Materials and Cells by X-ray Scattering and Diffraction.

    Science.gov (United States)

    Hémonnot, Clément Y J; Köster, Sarah

    2017-09-26

    Cells and biological materials are large objects in comparison to the size of internal components such as organelles and proteins. An understanding of the functions of these nanoscale elements is key to elucidating cellular function. In this review, we describe the advances in X-ray scattering and diffraction techniques for imaging biological systems at the nanoscale. We present a number of principal technological advances in X-ray optics and development of sample environments. We identify radiation damage as one of the most severe challenges in the field, thus rendering the dose an important parameter when putting different X-ray methods in perspective. Furthermore, we describe different successful approaches, including scanning and full-field techniques, along with prominent examples. Finally, we present a few recent studies that combined several techniques in one experiment in order to collect highly complementary data for a multidimensional sample characterization.

  5. X-ray diffuse scattering investigation of defects in ion implanted and annealed silicon

    Energy Technology Data Exchange (ETDEWEB)

    Chang, C.H.; Patel, J.R. [Stanford Univ., CA (United States)]|[Lawrence Berkeley National Lab., CA (United States); Beck, U.; Metzger, T.H. [Univ. Muenchen (Germany). Sektion Physik

    1998-12-31

    To characterize the point defects and point defect clusters introduced by ion implantation and annealing, the authors have used grazing incidence x-rays to measure the diffuse scattering in the tails of Bragg peaks (Huang Scattering). An analysis of the diffuse scattered intensity will allow the authors to characterize the nature of point defects or defect clusters introduced by ion implantation. They have also observed unexpected satellite peaks in the diffuse scattering tails. Possible causes for the occurrence of the peaks will be discussed.

  6. 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.

  7. Soft x-ray scattering using FEL radiation for probing near-solid density plasmas at few electronvolt temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Toleikis, S; Faustlin, R R; Cao, L; Doppner, T; Dusterer, S; Forster, E; Fortmann, C; Glenzer, S H; Gode, S; Gregori, G; Irsig, R; Laarmann, T; Lee, H J; Li, B; Meiwes-Broer, K; Przystawik, A; Radcliffe, P; Redmer, R; Tavella, F; Thiele, R; Tiggesbaumker, J; Truong, N X; Uschmann, I; Zastrau, U; Tschentscher, T

    2009-03-03

    We report on soft x-ray scattering experiments on cryogenic hydrogen and simple metal targets. As a source of intense and ultrashort soft x-ray pulses we have used free-electron laser radiation at 92 eV photon energy from FLASH at DESY, Hamburg. X-ray pulses with energies up to 100 {micro}J and durations below 50 fs provide interaction with the target leading simultaneously to plasma formation and scattering. Experiments exploiting both of these interactions have been carried out, using the same experimental setup. Firstly, recording of soft x-ray inelastic scattering from near-solid density hydrogen plasmas at few electronvolt temperatures confirms the feasibility of this diagnostics technique. Secondly, the soft x-ray excitation of few electronvolt solid-density plasmas in simple metals could be studied by recording soft x-ray line and continuum emission integrated over emission times from fs to ns.

  8. ALICE: A diffractometer/reflectometer for soft X-ray resonant magnetic scattering at BESSY II

    Directory of Open Access Journals (Sweden)

    Radu-Marius Abrudan

    2016-05-01

    Full Text Available Although the chamber named ALICE was designed for the analysis of magnetic hetero- and nanostructures via resonant magnetic x-ray scattering, the instrument is not limited to this technique. Static measurements involve the possibility to use scattering and spectroscopy synchrotron based techniques (photon-in photon-out, photon-in electron-out, and coherent scattering. Dynamic experiments require either laser or magnetic field pulses to excite the spin system followed by x-ray probe in the time domain from nano- to femtosecond delay times. In this temporal range, the demagnetization/remagnetization dynamics and magnetization precession in a number of magnetic materials (metals, alloys, and magnetic multilayers can be probed in an element specific manner. The versatility of the instrument was tested by a series of pilot experiments, pointing out ALICE as one of the most demanded instruments at the Helmholtz-Zentrum in Berlin.

  9. Comparison between x-ray scattering and velocity-interferometry measurements from shocked liquid deuterium

    Science.gov (United States)

    Falk, K.; Regan, S. P.; Vorberger, J.; Crowley, B. J. B.; Glenzer, S. H.; Hu, S. X.; Murphy, C. D.; Radha, P. B.; Jephcoat, A. P.; Wark, J. S.; Gericke, D. O.; Gregori, G.

    2013-04-01

    The equation of state of light elements is essential to understand the structure of Jovian planets and inertial confinement fusion research. The Omega laser was used to drive a planar shock wave in the cryogenically cooled deuterium, creating warm dense matter conditions. X-ray scattering was used to determine the spectrum near the boundary of the collective and noncollective scattering regimes using a narrow band x-ray source in backscattering geometry. Our scattering spectra are thus sensitive to the individual electron motion as well as the collective plasma behavior and provide a measurement of the electron density, temperature, and ionization state. Our data are consistent with velocity-interferometry measurements previously taken on the same shocked deuterium conditions and presented by K. Falk [High Energy Density Phys.10.1016/j.hedp.2011.11.006 8, 76 (2012)]. This work presents a comparison of the two diagnostic systems and offers a detailed discussion of challenges encountered.

  10. Comparison between x-ray scattering and velocity-interferometry measurements from shocked liquid deuterium.

    Science.gov (United States)

    Falk, K; Regan, S P; Vorberger, J; Crowley, B J B; Glenzer, S H; Hu, S X; Murphy, C D; Radha, P B; Jephcoat, A P; Wark, J S; Gericke, D O; Gregori, G

    2013-04-01

    The equation of state of light elements is essential to understand the structure of Jovian planets and inertial confinement fusion research. The Omega laser was used to drive a planar shock wave in the cryogenically cooled deuterium, creating warm dense matter conditions. X-ray scattering was used to determine the spectrum near the boundary of the collective and noncollective scattering regimes using a narrow band x-ray source in backscattering geometry. Our scattering spectra are thus sensitive to the individual electron motion as well as the collective plasma behavior and provide a measurement of the electron density, temperature, and ionization state. Our data are consistent with velocity-interferometry measurements previously taken on the same shocked deuterium conditions and presented by K. Falk et al. [High Energy Density Phys. 8, 76 (2012)]. This work presents a comparison of the two diagnostic systems and offers a detailed discussion of challenges encountered.

  11. Nanopores in track-etched polymer membranes characterized by small-angle x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Cornelius, T W; Schiedt, B; Severin, D; Trautmann, C [GSI Helmholtz Centre for Heavy Ion Research, Planckstrasse 1, 64291 Darmstadt (Germany); Pepy, G [Institute for Solid State Physics, SzFKI, POB 49, H-1525 Budapest (Hungary); Toulemonde, M [Center of Research on Ions Materials and Photonics (CIMAP), CEA, CNRS, ENSICAEN, University of Caen, BP 5133, Bd H Becquerel, 14070 Caen Cedex 5 (France); Apel, P Yu [Joint Institute for Nuclear Research, Joliot-Curie Street 6, Dubna (Russian Federation); Boesecke, P, E-mail: thomas.cornelius@esrf.fr [European Synchrotron Radiation Facility (ESRF), BP 220, 38043 Grenoble Cedex (France)

    2010-04-16

    Nanochannels and nanowires with diameters ranging from 30 to 400 nm were produced by etching ion tracks in thin polyarylate and polycarbonate foils. The shape and the size distribution of dry and wet nanochannels, as well as of nanowires grown therein, were examined by small-angle x-ray scattering. The x-ray intensity as a function of the scattering vector exhibits pronounced oscillations showing that both the channels and the wires have a highly cylindrical geometry and a very narrow size distribution. UV exposure before chemical etching significantly improves the monodispersity of the nanopores. For fixed etching conditions, the scattering patterns provide evidence that the diameter of dry and water-filled channels as well as for embedded nanowires are identical, demonstrating that the pores in the polymer are completely filled.

  12. Double-confocal resonator for X-ray generation via intracavity Thomson scattering

    Energy Technology Data Exchange (ETDEWEB)

    Xie, M. [Lawrence Berkeley Lab., CA (United States)

    1995-12-31

    There has been a growing interest in developing compact X-ray sources through Thomson scattering of a laser beam by a relativistic electron beam. For higher X-ray flux it is desirable to have the scattering to occur inside an optical resonator where the laser power is higher. In this paper I propose a double-confocal resonator design optimized for head-on Thomson scattering inside an FEL oscillator and analyze its performance taking into account the diffraction and FEL gain. A double confocal resonator is equivalent to two confocal resonators in series. Such a resonator has several advantages: it couples electron beam through and X-ray out of the cavity with holes on cavity mirrors, thus allowing the system to be compact; it supports the FEL mode with minimal diffraction loss through the holes; it provides a laser focus in the forward direction for a better mode overlap with the electron beam; and it provides a focus at the same location in the backward direction for higher Thomson scattering efficiency; in addition, the mode size at the focal point and hence the Rayleigh range can be adjusted simply through intracavity apertures; furthermore, it gives a large mode size at the mirrors to reduce power loading. Simulations as well as analytical results will be presented. Also other configurations of intracavity Thomson scattering where the double-confocal resonator could be useful will be discussed.

  13. Protein NMR structures refined with Rosetta have higher accuracy relative to corresponding X-ray crystal structures.

    Science.gov (United States)

    Mao, Binchen; Tejero, Roberto; Baker, David; Montelione, Gaetano T

    2014-02-05

    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.

  14. X-ray diffraction and NMR data for the study of the location of idebenone and idebenol in model membranes

    Directory of Open Access Journals (Sweden)

    Victoria Gómez-Murcia

    2016-06-01

    Full Text Available Here we present some of our data about the interaction of idebenone and idebenol with dipalmitoyl-phosphatidylcholine (DPPC. In particular, we include data of small angle X-ray diffraction (SAXD and wide angle X-ray diffraction experiments, obtention of electronic profiles of the membranes, 2H-NMR and 31P-NMR, as part of the research article: “Both idebenone and idebenol are localized near the lipid-water interface of the membrane and increase its fluidity” (Gomez-Murcia et al., 2016 [1]. These data were obtained from model membranes that included different proportions of idebenone and idebenol, at temperatures both above and below of the gel to fluid phase. The X-ray experiments were carried out by using a modified Kratky compact camera (MBraun-Graz-Optical Systems, Graz Austria, incorporating two coupled linear position sensitive detectors. The NMR data were collected from a a Bruker Avance 600 instrument.

  15. Large-scale Nanostructure Simulations from X-ray Scattering Data On Graphics Processor Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Sarje, Abhinav; Pien, Jack; Li, Xiaoye; Chan, Elaine; Chourou, Slim; Hexemer, Alexander; Scholz, Arthur; Kramer, Edward

    2012-01-15

    X-ray scattering is a valuable tool for measuring the structural properties of materialsused in the design and fabrication of energy-relevant nanodevices (e.g., photovoltaic, energy storage, battery, fuel, and carbon capture andsequestration devices) that are key to the reduction of carbon emissions. Although today's ultra-fast X-ray scattering detectors can provide tremendousinformation on the structural properties of materials, a primary challenge remains in the analyses of the resulting data. We are developing novelhigh-performance computing algorithms, codes, and software tools for the analyses of X-ray scattering data. In this paper we describe two such HPCalgorithm advances. Firstly, we have implemented a flexible and highly efficient Grazing Incidence Small Angle Scattering (GISAXS) simulation code based on theDistorted Wave Born Approximation (DWBA) theory with C++/CUDA/MPI on a cluster of GPUs. Our code can compute the scattered light intensity from any givensample in all directions of space; thus allowing full construction of the GISAXS pattern. Preliminary tests on a single GPU show speedups over 125x compared tothe sequential code, and almost linear speedup when executing across a GPU cluster with 42 nodes, resulting in an additional 40x speedup compared to usingone GPU node. Secondly, for the structural fitting problems in inverse modeling, we have implemented a Reverse Monte Carlo simulation algorithm with C++/CUDAusing one GPU. Since there are large numbers of parameters for fitting in the in X-ray scattering simulation model, the earlier single CPU code required weeks ofruntime. Deploying the AccelerEyes Jacket/Matlab wrapper to use GPU gave around 100x speedup over the pure CPU code. Our further C++/CUDA optimization deliveredan additional 9x speedup.

  16. Characterizing the behavior of scattered radiation in multi-energy x-ray imaging

    Science.gov (United States)

    Sossin, Artur; Rebuffel, V.; Tabary, J.; Létang, J. M.; Freud, N.; Verger, L.

    2017-04-01

    Scattered radiation results in various undesirable effects in medical diagnostics, non-destructive testing (NDT) and security x-ray imaging. Despite numerous studies characterizing this phenomenon and its effects, the knowledge of its behavior in the energy domain remains limited. The present study aims at summarizing some key insights on scattered radiation originating from the inspected object. In addition, various simulations and experiments with limited collimation on both simplified and realistic phantoms were conducted in order to study scatter behavior in multi-energy x-ray imaging. Results showed that the spectrum shape of the scatter component can be considered preserved in the first approximation across the image plane for various acquisition geometries and phantoms. The variations exhibited by the scatter spectrum were below 10% for most examined cases. Furthermore, the corresponding spectrum shape proved to be also relatively invariant for different experimental angular projections of one of the examined phantoms. The observed property of scattered radiation can potentially lead to the decoupling of spatial and energy scatter components, which can in turn enable speed ups in scatter simulations and reduce the complexity of scatter correction.

  17. Anisotropic x-ray scattering and orientation fields in cardiac tissue cells

    Science.gov (United States)

    Bernhardt, M.; Nicolas, J.-D.; Eckermann, M.; Eltzner, B.; Rehfeldt, F.; Salditt, T.

    2017-01-01

    X-ray diffraction from biomolecular assemblies is a powerful technique which can provide structural information about complex architectures such as the locomotor systems underlying muscle contraction. However, in its conventional form, macromolecular diffraction averages over large ensembles. Progress in x-ray optics has now enabled to probe structures on sub-cellular scales, with the beam confined to a distinct organelle. Here, we use scanning small angle x-ray scattering (scanning SAXS) to probe the diffraction from cytoskeleton networks in cardiac tissue cells. In particular, we focus on actin-myosin composites, which we identify as the dominating contribution to the anisotropic diffraction patterns, by correlation with optical fluorescence microscopy. To this end, we use a principal component analysis approach to quantify direction, degree of orientation, nematic order, and the second moment of the scattering distribution in each scan point. We compare the fiber orientation from micrographs of fluorescently labeled actin fibers to the structure orientation of the x-ray dataset and thus correlate signals of two different measurements: the native electron density distribution of the local probing area versus specifically labeled constituents of the sample. Further, we develop a robust and automated fitting approach based on a power law expansion, in order to describe the local structure factor in each scan point over a broad range of the momentum transfer {q}{{r}}. Finally, we demonstrate how the methodology shown for freeze dried cells in the first part of the paper can be translated to alive cell recordings.

  18. Demonstration of combined radiography and x-ray scattering measurements of shocked foam

    Science.gov (United States)

    Belancourt, Patrick; Theobald, Wolfgang; Keiter, Paul; Collins, Timothy; Bonino, Mark; Regan, Sean; Kozlowski, Pawel; Drake, Paul

    2016-10-01

    High-energy-density physics experiments often use foams due to their low, tunable densities and being machinable. Simulating these experiments can be difficult due to the equation of state being largely unknown for shocked foams. This talk will focus on an experiments dedicated to measuring the temperature, ionization and density of shocked foams from simultaneous x-ray Thomson scattering and radiography measurements. The foam used in this experiment is carbonized resorcinol formaldehyde foam with an initial density of 0.1 g/cc. One OMEGA EP beam drives a shock into the foam, while the remaining three beams irradiate a nickel foil coated with titanium to create the x-ray backlighter.. The primary diagnostic for this platform, the imaging x-ray Thomson spectrometer (IXTS), spectrally resolves the scattered x-ray beam while imaging in one spatial dimension. The IXTS is ideally suited to measure plasma conditions upstream, downstream and at the shock front in the foam. Preliminary results from this experiment will be shown. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944, the University of Rochester, and the New York State Energy Research and Development Authority.

  19. Tissue Equivalent Phantom Design for Characterization of a Coherent Scatter X-ray Imaging System

    Science.gov (United States)

    Albanese, Kathryn Elizabeth

    Scatter in medical imaging is typically cast off as image-related noise that detracts from meaningful diagnosis. It is therefore typically rejected or removed from medical images. However, it has been found that every material, including cancerous tissue, has a unique X-ray coherent scatter signature that can be used to identify the material or tissue. Such scatter-based tissue-identification provides the advantage of locating and identifying particular materials over conventional anatomical imaging through X-ray radiography. A coded aperture X-ray coherent scatter spectral imaging system has been developed in our group to classify different tissue types based on their unique scatter signatures. Previous experiments using our prototype have demonstrated that the depth-resolved coherent scatter spectral imaging system (CACSSI) can discriminate healthy and cancerous tissue present in the path of a non-destructive x-ray beam. A key to the successful optimization of CACSSI as a clinical imaging method is to obtain anatomically accurate phantoms of the human body. This thesis describes the development and fabrication of 3D printed anatomical scatter phantoms of the breast and lung. The purpose of this work is to accurately model different breast geometries using a tissue equivalent phantom, and to classify these tissues in a coherent x-ray scatter imaging system. Tissue-equivalent anatomical phantoms were designed to assess the capability of the CACSSI system to classify different types of breast tissue (adipose, fibroglandular, malignant). These phantoms were 3D printed based on DICOM data obtained from CT scans of prone breasts. The phantoms were tested through comparison of measured scatter signatures with those of adipose and fibroglandular tissue from literature. Tumors in the phantom were modeled using a variety of biological tissue including actual surgically excised benign and malignant tissue specimens. Lung based phantoms have also been printed for future

  20. Calcination products of gibbsite studied by X-ray diffraction, XPS and solid-state NMR

    Energy Technology Data Exchange (ETDEWEB)

    Malki, A. [Laboratoire des structures, propriétés et interactions inter atomiques (LASPI2A), Faculté des sciences et technologies, Université Abbes Laghrour, Khenchela 40000 (Algeria); Mekhalif, Z.; Detriche, S.; Fonder, G. [Laboratoire de Chimie et Electrochimie des Surfaces, Facultés Universitaires Notre-Dame de la Paix, Rue de Bruxelles 61, B-5000 Namur (Belgium); Boumaza, A., E-mail: charif_boumaza@yahoo.com [Laboratoire des structures, propriétés et interactions inter atomiques (LASPI2A), Faculté des sciences et technologies, Université Abbes Laghrour, Khenchela 40000 (Algeria); Djelloul, A. [Laboratoire des structures, propriétés et interactions inter atomiques (LASPI2A), Faculté des sciences et technologies, Université Abbes Laghrour, Khenchela 40000 (Algeria)

    2014-07-01

    The changes caused by heat treatment of gibbsite powder at 300–1473 K were studied using the X-ray diffraction (XRD), X-ray photoemission (XPS) spectra and {sup 27}Al magic angle spinning nuclear magnetic resonance spectroscopy ({sup 27}Al MAS NMR). XRD analysis indicates that the transformation sequence involves the formation of κ-Al{sub 2}O{sub 3} as an intermediate phase between χ- and α-Al{sub 2}O{sub 3}. The crystallite size of χ-Al{sub 2}O{sub 3} is as small as 10 nm. XPS analysis indicates that the ratio of aluminium atoms to oxygen atoms in χ-Al{sub 2}O{sub 3} and κ-Al{sub 2}O{sub 3} increases, whereas the expected ratio is observed in α-Al{sub 2}O{sub 3}. The percentage of AlO{sub 4} units in the transition aluminas follows the same behaviour as the ratio of Al/O. - Graphical abstract: The percentage of AlO{sub 4} units in transition aluminas follows the same behaviour as the ratio of Al/O. - Highlights: • Calcination products of gibbsite studied by XRD, XPS and solid-state NMR. • The crystallite size of χ-Al{sub 2}O{sub 3} is as small as 10 nm. • The Al/O atomic ratio determined by XPS is larger than 2/3 in χ-Al{sub 2}O{sub 3} and κ-Al{sub 2}O{sub 3}. • The percentage of AlO{sub 4} in the aluminas follows the same behaviour as the Al/O atomic ratio.

  1. Experimental validation of a multi-energy x-ray adapted scatter separation method

    Science.gov (United States)

    Sossin, A.; Rebuffel, V.; Tabary, J.; Létang, J. M.; Freud, N.; Verger, L.

    2016-12-01

    Both in radiography and computed tomography (CT), recently emerged energy-resolved x-ray photon counting detectors enable the identification and quantification of individual materials comprising the inspected object. However, the approaches used for these operations require highly accurate x-ray images. The accuracy of the images is severely compromised by the presence of scattered radiation, which leads to a loss of spatial contrast and, more importantly, a bias in radiographic material imaging and artefacts in CT. The aim of the present study was to experimentally evaluate a recently introduced partial attenuation spectral scatter separation approach (PASSSA) adapted for multi-energy imaging. For this purpose, a prototype x-ray system was used. Several radiographic acquisitions of an anthropomorphic thorax phantom were performed. Reference primary images were obtained via the beam-stop (BS) approach. The attenuation images acquired from PASSSA-corrected data showed a substantial increase in local contrast and internal structure contour visibility when compared to uncorrected images. A substantial reduction of scatter induced bias was also achieved. Quantitatively, the developed method proved to be in relatively good agreement with the BS data. The application of the proposed scatter correction technique lowered the initial normalized root-mean-square error (NRMSE) of 45% between the uncorrected total and the reference primary spectral images by a factor of 9, thus reducing it to around 5%.

  2. Domain and range decomposition methods for coded aperture x-ray coherent scatter imaging

    Science.gov (United States)

    Odinaka, Ikenna; Kaganovsky, Yan; O'Sullivan, Joseph A.; Politte, David G.; Holmgren, Andrew D.; Greenberg, Joel A.; Carin, Lawrence; Brady, David J.

    2016-05-01

    Coded aperture X-ray coherent scatter imaging is a novel modality for ascertaining the molecular structure of an object. Measurements from different spatial locations and spectral channels in the object are multiplexed through a radiopaque material (coded aperture) onto the detectors. Iterative algorithms such as penalized expectation maximization (EM) and fully separable spectrally-grouped edge-preserving reconstruction have been proposed to recover the spatially-dependent coherent scatter spectral image from the multiplexed measurements. Such image recovery methods fall into the category of domain decomposition methods since they recover independent pieces of the image at a time. Ordered subsets has also been utilized in conjunction with penalized EM to accelerate its convergence. Ordered subsets is a range decomposition method because it uses parts of the measurements at a time to recover the image. In this paper, we analyze domain and range decomposition methods as they apply to coded aperture X-ray coherent scatter imaging using a spectrally-grouped edge-preserving regularizer and discuss the implications of the increased availability of parallel computational architecture on the choice of decomposition methods. We present results of applying the decomposition methods on experimental coded aperture X-ray coherent scatter measurements. Based on the results, an underlying observation is that updating different parts of the image or using different parts of the measurements in parallel, decreases the rate of convergence, whereas using the parts sequentially can accelerate the rate of convergence.

  3. X-ray resonant scattering study of the quadrupolar order in UPd3

    DEFF Research Database (Denmark)

    McMorrow, D.F.; McEwen, K.A.; Steigenberger, U.

    2001-01-01

    Quadrupolar ordering in a 5f electron system has been observed directly for the first time, using x-ray scattering techniques. In UPd(3) at low temperatures satellite peaks appear at (1, 0, l) (orthorhombic notation) with I odd and even. Both sets of peaks show a resonant enhancement...... of the scattering at the M(IV) edge of U. At resonance, the dominant scattering of the 1 odd peaks occurs in the unrotated polarization channel, whereas for I even a significant rotated component is found. These results are discussed in terms of possible structures of the antiferroquadrupolar phases....

  4. Protein structural dynamics revealed by time-resolved X-ray solution scattering.

    Science.gov (United States)

    Kim, Jong Goo; Kim, Tae Wu; Kim, Jeongho; Ihee, Hyotcherl

    2015-08-18

    One of the most important questions in biological science is how a protein functions. When a protein performs its function, it undergoes regulated structural transitions. In this regard, to better understand the underlying principle of a protein function, it is desirable to monitor the dynamic evolution of the protein structure in real time. To probe fast and subtle motions of a protein in physiological conditions demands an experimental tool that is not only equipped with superb spatiotemporal resolution but also applicable to samples in solution phase. Time-resolved X-ray solution scattering (TRXSS), discussed in this Account, fits all of those requirements needed for probing the movements of proteins in aqueous solution. The technique utilizes a pump-probe scheme employing an optical pump pulse to initiate photoreactions of proteins and an X-ray probe pulse to monitor ensuing structural changes. The technical advances in ultrafast lasers and X-ray sources allow us to achieve superb temporal resolution down to femtoseconds. Because X-rays scatter off all atomic pairs in a protein, an X-ray scattering pattern provides information on the global structure of the protein with subangstrom spatial resolution. Importantly, TRXSS is readily applicable to aqueous solution samples of proteins with the aid of theoretical models and therefore is well suited for investigating structural dynamics of protein transitions in physiological conditions. In this Account, we demonstrate that TRXSS can be used to probe real-time structural dynamics of proteins in solution ranging from subtle helix movement to global conformational change. Specifically, we discuss the photoreactions of photoactive yellow protein (PYP) and homodimeric hemoglobin (HbI). For PYP, we revealed the kinetics of structural transitions among four transient intermediates comprising a photocycle and, by applying structural analysis based on ab initio shape reconstruction, showed that the signaling of PYP involves

  5. Improving the spatial resolution of a soft X-ray Charge Coupled Device used for Resonant Inelastic X-ray Scattering

    Science.gov (United States)

    Soman, M. R.; Hall, D. J.; Tutt, J. H.; Murray, N. J.; Holland, A. D.; Schmitt, T.; Raabe, J.; Schmitt, B.

    2011-11-01

    The Super Advanced X-ray Emission Spectrometer (SAXES) at the Advanced Resonant Scattering (ADRESS) beamline of the Swiss Light Source is a high-resolution X-ray spectrometer used as an end station for Resonant Inelastic X-ray Scattering from 400 eV to 1600 eV. Through the dispersion of photons across a CCD, the energy of scattered photons may be determined by their detected spatial position. The limiting factor of the energy resolution is currently the spatial resolution achieved with the CCD, reported at 24 μm FWHM. For this energy range the electron clouds are formed by interactions in the `field free' region of the back-illuminated CCD. These clouds diffuse in all directions whilst being attracted to the electrodes, leading to events that are made up of signals in multiple pixels. The spreading of the charge allows centroiding techniques to be used to improve the CCD spatial resolution and therefore improve the energy resolution of SAXES. The PolLux microscopy beamline at the SLS produces an X-ray beam with a diameter of 20 nm. The images produced from scanning the narrow beam across CCD pixels (13.5 × 13.5 μm2) can aid in the production of event recognition algorithms, allowing the matching of event profiles to photon interactions in a specific region of a pixel. Through the use of this information software analysis can be refined with the aim of improving the energy resolution.

  6. An upgraded experiment of X-ray photon-photon elastic scattering with a Laue-case beam collider

    CERN Document Server

    Yamaji, T; Yamazaki, T; Namba, T; Asai, S; Kobayashi, T; Tamasaku, K; Tanaka, Y; Inubushi, Y; Sawada, K; Yabashi, M; Ishikawa, T

    2016-01-01

    The new result of a photon-photon scattering experiment in the X-ray region is reported. An X-ray beam collider is used to divide and collide X-ray beams from an X-ray Free Electron Laser, SACLA. The sensitivity of the experiment is enhanced by an upgraded X-ray beam collider and improvement of the SACLA beam quality. The intensity of the colliding photon beams increased significantly, giving an integrated luminosity of (1.24 \\pm 0.08) \\times 10^{28} m^{-2}. No signal of scattered X rays was observed. The obtained 95% C.L. limit on the QED cross section is 1.9 \\times 10^{-27} m^2 at \\omega_{cms}=6.5 keV, which is more stringent by around three orders of magnitude than our previous result.

  7. On the calculation of x-ray scattering signals from pairwise radial distribution functions

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Biasin, Elisa; Haldrup, Kristoffer;

    2015-01-01

    We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any possi...... possible ambiguities, and the result includes a modification to the atom-type formulation which to our knowledge is previously unaccounted for. The formulation is numerically implemented and validated.......We derive a formulation for evaluating (time-resolved) x-ray scattering signals of solvated chemical systems, based on pairwise radial distribution functions, with the aim of this formulation to accompany molecular dynamics simulations. The derivation is described in detail to eliminate any...

  8. Inelastic x-ray scattering studies on dynamic structure factor of polymeric liquid Se under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Inui, Masanori; Kajihara, Yukio [Graduate School of Integrated Arts and Sciences, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8521 (Japan); Kimura, Koji; Matsuda, Kazuhiro [Department of Physics, Kyoto University, Sakyoku, Kyoto 606-8502 (Japan); Ohara, Koji; Tsutsui, Satoshi; Ishikawa, Daisuke [Japan Synchrotron Radiation Research Institute/SPring-8, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Baron, Alfred Q. [RIKEN HARIMA BRANCH, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Japan Synchrotron Radiation Research Institute/SPring-8, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan)

    2015-08-17

    Inelastic X-ray scattering measurements at 25 MPa using synchrotron radiation were carried out for semiconducting liquid Se at high temperatures up to 1673 K. The excitation energy of the acoustic mode disperses approximately 10-50 % faster than the ultrasonic sound velocity in the observed temperature range while the ultrasonic sound rapidly slows down with increasing temperature. We carried out X-ray scattering measurements and found that the average coordination number at 1673 K is 1.3, indicating that the high temperature liquid consists of short chain molecules. These results suggest that weakening of the interatomic interaction is correlated with breaking of polymeric chain molecules.

  9. Structure of liposome encapsulating proteins characterized by X-ray scattering and shell-modeling

    Energy Technology Data Exchange (ETDEWEB)

    Hirai, Mitsuhiro, E-mail: mhirai@gunma-u.ac.jp; Kimura, Ryota; Takeuchi, Kazuki; Hagiwara, Yoshihiko [Gunma University, 4-2 Aramaki, Maebashi, Gunma 371-8510 (Japan); Kawai-Hirai, Rika [Gunma University, 3-39-15 Shouwa, Maebashi 371-8512 (Japan); Ohta, Noboru [JASRI, 1-1-1 Kuoto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Igarashi, Noriyuki; Shimuzu, Nobutaka [KEK-PF, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan)

    2013-11-01

    Wide-angle X-ray scattering data using a third-generation synchrotron radiation source are presented. Lipid liposomes are promising drug delivery systems because they have superior curative effects owing to their high adaptability to a living body. Lipid liposomes encapsulating proteins were constructed and the structures examined using synchrotron radiation small- and wide-angle X-ray scattering (SR-SWAXS). The liposomes were prepared by a sequential combination of natural swelling, ultrasonic dispersion, freeze-throw, extrusion and spin-filtration. The liposomes were composed of acidic glycosphingolipid (ganglioside), cholesterol and phospholipids. By using shell-modeling methods, the asymmetric bilayer structure of the liposome and the encapsulation efficiency of proteins were determined. As well as other analytical techniques, SR-SWAXS and shell-modeling methods are shown to be a powerful tool for characterizing in situ structures of lipid liposomes as an important candidate of drug delivery systems.

  10. High-Resolution X-Ray Scattering Topography Using Synchrotron Radiation Microbeam

    Science.gov (United States)

    Chikaura, Yoshinori; Suzuki, Yoshifumi; Kii, Hideki

    1994-02-01

    Although spatial resolution is the most essential factor determining the function of X-ray topography, it has not been improved in 30 years in spite of increasing requirements for highly-resolvable topography in materials science. X-ray scattering topography using a microbeam is a method capable of overcoming this resolution problem. Because the maximum resolution of an apparatus using a sealed-off tube is limited to 20 µ m, we designed and constructed scattering topography equipment using a synchrotron radiation microbeam. In the experiment, the slit system forms the microbeam 7 µ m in diameter. We observed a cellulose distribution in bamboo as a testing material. When the scanning step was 2 µ m, we attained spatial resolution less than 5 µ m.

  11. High-resolution x-ray scatter and reflectivity study of sputtered IR surfaces

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; Abdali, S.; Hornstrup, Allan

    1993-01-01

    In recent years there has been an increased interest in the possible use of Ir as the reflecting surface in X-ray telescope programs. An X-ray study of such surfaces produced by sputtering of Ir on highly polished Zerodur flats is presented here. The study was performed using Fe K(alpha) 1 (6.......404 Kev) and Cu K(alpha) 1 (8.048 keV) and includes measurement of total external reflection and scattering. The scattering measurement was made with three different instruments arrangements; one employed a 1D position sensitive detector for low resolution studies giving approximately 30 arcsec resolution...... (FWHM), and the other two arrangements employed channel cut crystals providing resolutions (FWHM) of 5 arcsec and 1 arcsec, respectively at Cu K(alpha) 1. The reflectivity study revealed a very close correspondence with a theoretical model based on recently published optical constants. This important...

  12. Classification of fracture and non-fracture groups by analysis of coherent X-ray scatter

    Science.gov (United States)

    Dicken, A. J.; Evans, J. P. O.; Rogers, K. D.; Stone, N.; Greenwood, C.; Godber, S. X.; Clement, J. G.; Lyburn, I. D.; Martin, R. M.; Zioupos, P.

    2016-07-01

    Osteoporotic fractures present a significant social and economic burden, which is set to rise commensurately with the aging population. Greater understanding of the physicochemical differences between osteoporotic and normal conditions will facilitate the development of diagnostic technologies with increased performance and treatments with increased efficacy. Using coherent X-ray scattering we have evaluated a population of 108 ex vivo human bone samples comprised of non-fracture and fracture groups. Principal component fed linear discriminant analysis was used to develop a classification model to discern each condition resulting in a sensitivity and specificity of 93% and 91%, respectively. Evaluating the coherent X-ray scatter differences from each condition supports the hypothesis that a causal physicochemical change has occurred in the fracture group. This work is a critical step along the path towards developing an in vivo diagnostic tool for fracture risk prediction.

  13. High-resolution x-ray scatter and reflectivity study of sputtered IR surfaces

    DEFF Research Database (Denmark)

    Christensen, Finn Erland; Abdali, S.; Hornstrup, Allan

    1993-01-01

    In recent years there has been an increased interest in the possible use of Ir as the reflecting surface in X-ray telescope programs. An X-ray study of such surfaces produced by sputtering of Ir on highly polished Zerodur flats is presented here. The study was performed using Fe K(alpha) 1 (6.......404 Kev) and Cu K(alpha) 1 (8.048 keV) and includes measurement of total external reflection and scattering. The scattering measurement was made with three different instruments arrangements; one employed a 1D position sensitive detector for low resolution studies giving approximately 30 arcsec resolution...... (FWHM), and the other two arrangements employed channel cut crystals providing resolutions (FWHM) of 5 arcsec and 1 arcsec, respectively at Cu K(alpha) 1. The reflectivity study revealed a very close correspondence with a theoretical model based on recently published optical constants. This important...

  14. The dust-scattering X-ray rings of the anomalous X-ray pulsar 1E 1547.0-5408

    CERN Document Server

    Tiengo, A; Esposito, P; Mereghetti, S; Giuliani, A; Costantini, E; Israel, G L; Stella, L; Turolla, R; Zane, S; Rea, N; Götz, D; Bernardini, F; Moretti, A; Romano, P; Ehle, M; Gehrels, N

    2009-01-01

    On 2009 January 22 numerous strong bursts were detected from the anomalous X-ray pulsar 1E 1547.0-5408. Swift/XRT and XMM-Newton/EPIC observations carried out in the following two weeks led to the discovery of three X-ray rings centered on this source. The ring radii increased with time following the expansion law expected for a short impulse of X-rays scattered by three dust clouds. Assuming different models for the dust composition and grain size distribution, we fit the intensity decay of each ring as a function of time at different energies, obtaining tight constrains on the distance of the X-ray source. Although the distance strongly depends on the adopted dust model, we find that some models are incompatible with our X-ray data, restricting to 4-8 kpc the range of possible distances for 1E 1547.0-5408. The best-fitting dust model provides a source distance of 3.91 +/- 0.07 kpc, which is compatible with the proposed association with the supernova remnant G 327.24-0.13, and implies distances of 2.2 kpc, 2...

  15. Evolution of Elastic X-ray Scattering in Laser-Shocked Warm Dense Li

    Energy Technology Data Exchange (ETDEWEB)

    Kugland, N L; Gregori, G; Bandyopadhyay, S; Brenner, C; Brown, C; Constantin, C; Glenzer, S H; Khattak, F; Kritcher, A L; Niemann, C; Otten, A; Pasley, J; Pelka, A; Roth, M; Spindloe, C; Riley, D

    2009-06-02

    We have studied the dynamics of warm dense Li with near-elastic x-ray scattering. Li foils were heated and compressed using shock waves driven by 4 ns long laser pulses. Separate 1 ns long laser pulses were used to generate a bright source of 2.96 keV Cl Ly-{alpha} photons for x-ray scattering, and the spectrum of scattered photons was recorded at a scattering angle of 120{sup o} using a HOPG crystal operated in the von Hamos geometry. A variable delay between the heater and backlighter laser beams measured the scattering time evolution. Comparison with radiation hydrodynamics simulations shows that the plasma is highly coupled during the first several nanoseconds, then relaxes to a moderate coupling state at later times. Near-elastic scattering amplitudes have been successfully simulated using the screened one-component plasma model. Our main finding is that the near-elastic scattering amplitudes are quite sensitive to the mean ionization state {bar Z}, and by extension to the choice of ionization model in the radiation-hydrodynamics simulations used to predict plasma properties within the shocked Li.

  16. Small angle X-ray and neutron scattering from solutions of biological macromolecules

    CERN Document Server

    Svergun, Dmitri I; May, Roland P; Timmins, Peter A

    2013-01-01

    In this book, following the presentation of the basics of scattering from isotropic macromolecular solutions, modern instrumentation, experimental practice and advanced analysis techniques are explained. Advantages of X-rays (rapid data collection, small sample volumes) and of neutrons (contrast variation by hydrogen/deuterium exchange) are specifically highlighted. Examples of applications of the technique to different macromolecular systems are considered with specific emphasis on the synergistic use of SAXS/SANS with other structural, biophysical and computational techniques.

  17. Final Report LDRD 02-ERD-013 Dense Plasma Characterization by X-ray Thomson Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Landen, O L; Glenzer, S H; Gregori, G; Pollaine, S M; Hammer, J H; Rogers, F; Meezan, N B; Chung, H; Lee, R W

    2005-02-11

    We have successfully demonstrated spectrally-resolved x-ray scattering in a variety of dense plasmas as a powerful new technique for providing microscopic dense plasma parameters unattainable by other means. The results have also been used to distinguish between ionization balance models. This has led to 10 published or to be published papers, 8 invited talks and significant interest from both internal and external experimental plasma physicists and the international statistical plasma physics theory community.

  18. Small-Angle X-Ray Scattering Study on Nanostructures of Polyimide Films

    Institute of Scientific and Technical Information of China (English)

    LIU Xiao-Xu; YIN Jing-Hua; SUN Dao-Bin; BU Wen-Bin; CHENG Wei-Dong; WU Zhong-Hua

    2010-01-01

    @@ Inorganic nanohybrid polyimide(PI)is widely applied in electrical and electronic devices for its outstanding insulating properties.Samples 100CR and 100NH are made in Dupont.Among them,100NH is a kind of pure PI films; however,100CR is a kind of inorganic nanohybrid PI/films with excellent corona-resistance.The nanostructure of PI films is investigated with small-angle x-ray scattering technique and transmission electron microscopy(TEM).

  19. A combined X-ray scattering and simulation study of halothane in membranes at raised pressures

    Science.gov (United States)

    McCarthy, N. L. C.; Brooks, N. J.; Tyler, A. I. I.; ElGamacy, Mohammad; Welche, P. R. L.; Payne, M. C.; Chau, P.-L.

    2017-03-01

    Using a combination of high pressure wide angle X-ray scattering experiments and molecular dynamics simulations, we probe the effect of the archetypal general anaesthetic halothane on the lipid hydrocarbon chain packing and ordering in model bilayers and the variation in these parameters with pressure. Incorporation of halothane into the membrane causes an expansion of the lipid hydrocarbon chain packing at all pressures. The effect of halothane incorporation on the hydrocarbon chain order parameter is significantly reduced at elevated pressure.

  20. An extended anomalous fine structure of X-ray quasi-Bragg diffuse scattering from multilayers

    CERN Document Server

    Chernov, V A; Mytnichenko, S V

    2001-01-01

    An X-ray quasi-Bragg diffuse scattering anomalous fine structure technique was probed near the absorption Ni K-edge to study the interfacial structure of the Ni/C multilayer deposited by the laser ablation. Like other combinations of the EXAFS and diffraction techniques, this method has a spatial selectivity and was shown qualitatively to provide atomic structural information from the mixed interfacial layers. The possibilities and advantages of this technique are discussed.

  1. Correlative Light and Scanning X-Ray Scattering Microscopy of Healthy and Pathologic Human Bone Sections

    OpenAIRE

    Giannini, C.; D. Siliqi; Bunk, O.; Beraudi, A.; Ladisa, M.; Altamura, D.; Stea, S.; Baruffaldi, F.

    2012-01-01

    Scanning small and wide angle X-ray scattering (scanning SWAXS) experiments were performed on healthy and pathologic human bone sections. Via crystallographic tools the data were transformed into quantitative images and as such compared with circularly polarized light (CPL) microscopy images. SWAXS and CPL images allowed extracting information of the mineral nanocrystalline phase embedded, with and without preferred orientation, in the collagen fibrils, mapping local changes at sub-osteon res...

  2. X-ray scattering from freestanding polymer films with geometrically curved surfaces

    OpenAIRE

    D.J. Lee; K. Shin; Seeck, O; Kim, H.; Seo, Y.-S.; Tolan, M.; Rafailovich, M. H.; Sokolov, J.; Sinha, S.K.

    2003-01-01

    We show that the x-ray surface scattering from a freestanding polymer film exhibits features that cannot be explained by the usual stochastic formalism for surfaces with random height fluctuations. Instead, a geometric description of the film morphology assuming two curved surfaces characterized by a radius of curvature and a lateral cutoff length successfully accounts for the phase difference between the Kiessig fringes of the nominal "specular" and "off-specular" components of the scatterin...

  3. Functional materials analysis using in situ and in operando X-ray and neutron scattering.

    Science.gov (United States)

    Peterson, Vanessa K; Papadakis, Christine M

    2015-03-01

    In situ and in operando studies are commonplace and necessary in functional materials research. This review highlights recent developments in the analysis of functional materials using state-of-the-art in situ and in operando X-ray and neutron scattering and analysis. Examples are given covering a number of important materials areas, alongside a description of the types of information that can be obtained and the experimental setups used to acquire them.

  4. Functional materials analysis using in situ and in operando X-ray and neutron scattering

    Directory of Open Access Journals (Sweden)

    Vanessa K. Peterson

    2015-03-01

    Full Text Available In situ and in operando studies are commonplace and necessary in functional materials research. This review highlights recent developments in the analysis of functional materials using state-of-the-art in situ and in operando X-ray and neutron scattering and analysis. Examples are given covering a number of important materials areas, alongside a description of the types of information that can be obtained and the experimental setups used to acquire them.

  5. Collagen packing and mineralization. An x-ray scattering investigation of turkey leg tendon.

    OpenAIRE

    Fratzl, P.; Fratzl-Zelman, N.; Klaushofer, K

    1993-01-01

    Several recent results are suggesting that the collagen packing in mineralized tissues is much less regular than in the case of other nonmineralizing collagen, e.g., rat tail tendon. To clarify this question we have investigated the molecular arrangement in mineralized and unmineralized turkey leg tendon as a model for the collagen of mineralized tissues. Using a combination of diffuse x-ray scattering and computer simulation, it could be shown quantitatively that, although the collagen fibri...

  6. Small angle x-ray scattering and electron microscopy of nanoparticles formed in an electrical arc

    OpenAIRE

    Carvou, E; J. L. Le Garrec; Pérez, J.(University Autonoma Madrid, Department of Theoretical Physics, Madrid, Spain); J. Praquin; M. Djeddi; Mitchell, J.B.A.

    2013-01-01

    Small Angle X-ray Scattering has been used to characterize nanoparticles generated by electrical arcing between metallic (AgSnO2) electrodes. The particles are found to have diameters between 30 and 40 nm and display smooth surfaces suggesting that they are either in liquid form or have solidified from the liquid state. Particles collected around the electrodes were analyzed by Transmission Electron Microscopy and were seen to be much larger than those seen in the SAXS measurement, to be sphe...

  7. Maximum-likelihood estimation of scatter components algorithm for x-ray coherent scatter computed tomography of the breast.

    Science.gov (United States)

    Ghammraoui, Bahaa; Badal, Andreu; Popescu, Lucretiu M

    2016-04-21

    Coherent scatter computed tomography (CSCT) is a reconstructive x-ray imaging technique that yields the spatially resolved coherent-scatter cross section of the investigated object revealing structural information of tissue under investigation. In the original CSCT proposals the reconstruction of images from coherently scattered x-rays is done at each scattering angle separately using analytic reconstruction. In this work we develop a maximum likelihood estimation of scatter components algorithm (ML-ESCA) that iteratively reconstructs images using a few material component basis functions from coherent scatter projection data. The proposed algorithm combines the measured scatter data at different angles into one reconstruction equation with only a few component images. Also, it accounts for data acquisition statistics and physics, modeling effects such as polychromatic energy spectrum and detector response function. We test the algorithm with simulated projection data obtained with a pencil beam setup using a new version of MC-GPU code, a Graphical Processing Unit version of PENELOPE Monte Carlo particle transport simulation code, that incorporates an improved model of x-ray coherent scattering using experimentally measured molecular interference functions. The results obtained for breast imaging phantoms using adipose and glandular tissue cross sections show that the new algorithm can separate imaging data into basic adipose and water components at radiation doses comparable with Breast Computed Tomography. Simulation results also show the potential for imaging microcalcifications. Overall, the component images obtained with ML-ESCA algorithm have a less noisy appearance than the images obtained with the conventional filtered back projection algorithm for each individual scattering angle. An optimization study for x-ray energy range selection for breast CSCT is also presented.

  8. Maximum-likelihood estimation of scatter components algorithm for x-ray coherent scatter computed tomography of the breast

    Science.gov (United States)

    Ghammraoui, Bahaa; Badal, Andreu; Popescu, Lucretiu M.

    2016-04-01

    Coherent scatter computed tomography (CSCT) is a reconstructive x-ray imaging technique that yields the spatially resolved coherent-scatter cross section of the investigated object revealing structural information of tissue under investigation. In the original CSCT proposals the reconstruction of images from coherently scattered x-rays is done at each scattering angle separately using analytic reconstruction. In this work we develop a maximum likelihood estimation of scatter components algorithm (ML-ESCA) that iteratively reconstructs images using a few material component basis functions from coherent scatter projection data. The proposed algorithm combines the measured scatter data at different angles into one reconstruction equation with only a few component images. Also, it accounts for data acquisition statistics and physics, modeling effects such as polychromatic energy spectrum and detector response function. We test the algorithm with simulated projection data obtained with a pencil beam setup using a new version of MC-GPU code, a Graphical Processing Unit version of PENELOPE Monte Carlo particle transport simulation code, that incorporates an improved model of x-ray coherent scattering using experimentally measured molecular interference functions. The results obtained for breast imaging phantoms using adipose and glandular tissue cross sections show that the new algorithm can separate imaging data into basic adipose and water components at radiation doses comparable with Breast Computed Tomography. Simulation results also show the potential for imaging microcalcifications. Overall, the component images obtained with ML-ESCA algorithm have a less noisy appearance than the images obtained with the conventional filtered back projection algorithm for each individual scattering angle. An optimization study for x-ray energy range selection for breast CSCT is also presented.

  9. 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

  10. Diagnosing Pulsed Power Produced Plasmas with X-ray Thomson Scattering at the Nevada Terawatt Facility

    Science.gov (United States)

    Valenzuela, J. C.; Krauland, C.; Mariscal, D.; Krasheninnikov, I.; Beg, F. N.; Wiewior, P.; Covington, A.; Presura, R.; Ma, T.; Niemann, C.; Mabey, P.; Gregori, G.

    2015-11-01

    We present experimental results on X-ray Thomson scattering (XRTS) at the Nevada Terawatt Facility (NTF) to study current driven plasmas. Using the Leopard laser, ~ 30 J and pulse width of 0.8 ns, we generated He- α emission (4.75 keV) from a thin Ti foil. Initial parameter scans showed that the optimum intensity is ~ 1015W/cm2 with a foil thickness of 2 μm for forward X-ray production. Bandwidth measurements of the source, using a HAPG crystal in the Von Hamos configuration, were found to be ΔE/E ~ 0.01. Giving the scattering angle of our experimental setup of 129 degrees and X-ray probing energy, the non-collective regime was accessed. The ZEBRA load was a 3 mm wide, 500 μm thick, and 10 mm long graphite foil, placed at one of the six current return posts. Estimates of the plasma temperature, density and ionization state were made by fitting the scattering spectra with dynamic structure factor calculations based on the random phase approximation for the treatment of charged particle coupling. The work was partially funded by the Department of Energy grant number DE-NA0001995.

  11. Computer simulation tools for X-ray analysis scattering and diffraction methods

    CERN Document Server

    Morelhão, Sérgio Luiz

    2016-01-01

    The main goal of this book is to break down the huge barrier of difficulties faced by beginners from many fields (Engineering, Physics, Chemistry, Biology, Medicine, Material Science, etc.) in using X-rays as an analytical tool in their research. Besides fundamental concepts, MatLab routines are provided, showing how to test and implement the concepts. The major difficult in analyzing materials by X-ray techniques is that it strongly depends on simulation software. This book teaches the users on how to construct a library of routines to simulate scattering and diffraction by almost any kind of samples. It provides to a young student the knowledge that would take more than 20 years to acquire by working on X-rays and relying on the available textbooks. In this book, fundamental concepts in applied X-ray physics are demonstrated through available computer simulation tools. Using MatLab, more than eighty routines are developed for solving the proposed exercises, most of which can be directly used in experimental...

  12. Non-resonant magnetic X-ray scattering on NdCu 2

    Science.gov (United States)

    Schneidewind, A.; Loewenhaupt, M.; Hiess, A.; Kramp, S.; Reif, T.; Neubeck, W.; Vettier, C.

    2001-07-01

    The zero-field magnetic phases of NdCu 2 have been investigated using non-resonant X-ray scattering and the results are compared to those from neutron scattering. The reduced scattering volume of X-ray scattering as opposed to the bulk average measured by neutron scattering allowed us to investigate the magnetic properties in the near-surface region. As in the neutron scattering experiment, three magnetic phases AF1, AF2 and AF3 have been observed, and they exist in the same degree of order as the crystal lattice. In the near-surface region, the large magnetic unit cell present in AF2 is slightly different as compared to the bulk. Our results validate the first order of the phase transitions between the magnetic phases and allow us to localize the stabilization of the magnetic phase AF2 in real space. The modulation of the low-temperature structures AF1 and AF2 are squared up. In addition, we find a magnetically induced modulation of the electronic distribution in the low-temperature phase AF1 which is consistent with a lattice distortion (magneto-elastic coupling).

  13. Non-resonant magnetic X-ray scattering on NdCu{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Schneidewind, A.; Loewenhaupt, M. E-mail: loewenhaupt@physik.tu-dresden.de; Hiess, A.; Kramp, S.; Reif, T.; Neubeck, W.; Vettier, C

    2001-07-01

    The zero-field magnetic phases of NdCu{sub 2} have been investigated using non-resonant X-ray scattering and the results are compared to those from neutron scattering. The reduced scattering volume of X-ray scattering as opposed to the bulk average measured by neutron scattering allowed us to investigate the magnetic properties in the near-surface region. As in the neutron scattering experiment, three magnetic phases AF1, AF2 and AF3 have been observed, and they exist in the same degree of order as the crystal lattice. In the near-surface region, the large magnetic unit cell present in AF2 is slightly different as compared to the bulk. Our results validate the first order of the phase transitions between the magnetic phases and allow us to localize the stabilization of the magnetic phase AF2 in real space. The modulation of the low-temperature structures AF1 and AF2 are squared up. In addition, we find a magnetically induced modulation of the electronic distribution in the low-temperature phase AF1 which is consistent with a lattice distortion (magneto-elastic coupling)

  14. X-ray scattering for the characterization of lyophilized breast tissue samples

    Science.gov (United States)

    Elshemey, Wael M.; Mohamed, Fayrouz S.; Khater, Ibrahim M.

    2013-09-01

    This work investigates the possibility of characterizing breast cancer by measuring the X-ray scattering profiles of lyophilized excised breast tissue samples. Since X-ray scattering from water-rich tissue is dominated by scattering from water, the removal of water by lyophilization would enhance the characterization process. In the present study, X-ray scattering profiles of 22 normal, 22 malignant and 10 benign breast tissue samples are measured. The cut-offs of scatter diagrams, sensitivity, specificity and diagnostic accuracy of three characterization parameters (full width at half maximum (FWHM) for the peak at 1.1 nm-1, area under curve (AUC), and ratio of 1st to 2nd scattering peak intensities (I1/I2%)) are calculated and compared to the data from non-lyophilized samples. Results show increased sensitivity (up to 100%) of the present data on lyophilized breast tissue samples compared to previously reported data for non-lyophilized samples while the specificity (up to 95.4%), diagnostic accuracy (up to 95.4%) and receiver operating characteristic (ROC) curve values (up to 0.9979) for both sets of data are comparable. The present study shows significant differences between normal samples and each of malignant and benign samples. Only subtle differences exist between malignant and benign lyophilized breast tissue samples where FWHM=0.7±0.1 and 0.8±0.3, AUC=1.3±0.2 and 1.4±0.2 and I1/I2%=44.9±11.0 and 52.4±7.6 for malignant and benign samples respectively.

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

    DEFF Research Database (Denmark)

    Langkilde, Annette Eva; Morris, Kyle L; Serpell, Louise C;

    2015-01-01

    of the GNNQQNY peptide fragment of a yeast prion protein. Data from small-angle X-ray solution scattering, fibre diffraction and electron microscopy are combined with existing high-resolution X-ray crystallographic structures to investigate the fibrillation process and the hierarchical fibril structure...

  16. Ultrafast laser-induced melting and ablation studied by time-resolved diffuse X-ray scattering

    Directory of Open Access Journals (Sweden)

    Meyer zu Heringdorf F.

    2013-03-01

    Full Text Available Time-resolved diffuse X-ray scattering with 50 fs, 9.5 keV X-ray pulses from the Linear Coherent Light Source was used to study the structural dynamics in materials undergoing rapid melting and ablation after fs laser excitation.

  17. High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Tang Ming; Sperling, Lindsay J.; Berthold, Deborah A. [University of Illinois at Urbana-Champaign, Department of Chemistry (United States); Schwieters, Charles D. [National Institutes of Health, Division of Computational Bioscience, Center for Information Technology (United States); Nesbitt, Anna E.; Nieuwkoop, Andrew J.; Gennis, Robert B.; Rienstra, Chad M., E-mail: rienstra@scs.illinois.edu [University of Illinois at Urbana-Champaign, Department of Chemistry (United States)

    2011-11-15

    X-ray diffraction and nuclear magnetic resonance spectroscopy (NMR) are the staple methods for revealing atomic structures of proteins. Since crystals of biomolecular assemblies and membrane proteins often diffract weakly and such large systems encroach upon the molecular tumbling limit of solution NMR, new methods are essential to extend structures of such systems to high resolution. Here we present a method that incorporates solid-state NMR restraints alongside of X-ray reflections to the conventional model building and refinement steps of structure calculations. Using the 3.7 A crystal structure of the integral membrane protein complex DsbB-DsbA as a test case yielded a significantly improved backbone precision of 0.92 A in the transmembrane region, a 58% enhancement from using X-ray reflections alone. Furthermore, addition of solid-state NMR restraints greatly improved the overall quality of the structure by promoting 22% of DsbB transmembrane residues into the most favored regions of Ramachandran space in comparison to the crystal structure. This method is widely applicable to any protein system where X-ray data are available, and is particularly useful for the study of weakly diffracting crystals.

  18. Structural analysis of a melaminium polyphosphate from X-ray powder diffraction and solid-state NMR data

    NARCIS (Netherlands)

    Brodski, V.; Peschar, R.; Schenk, H.; Brinkmann, A.; Bloemberg, T.G.; Eck, E.R.H. van; Kentgens, A.P.M.

    2005-01-01

    The crystal structure of the environmentally friendly flame retardant melaminium polyphosphate (MPoly) (2,4,6-triamino-1,3,5-triazinium-PO3)(n) was determined by a direct-space global optimization technique from X-ray powder diffraction data. Solid-state NMR was used to corroborate the proposed

  19. Performance of a micro-strip gas chamber in solution X-ray scattering

    CERN Document Server

    Toyokawa, H; Inoko, Y; Nagayoshi, T; Nishi, Y; Nishikawa, Y; Ochi, A; Suzuki, M; Tanimori, T

    2001-01-01

    The performance of a Micro-Strip Gas Chamber in solution X-ray scattering was studied at the RIKEN structural biology beamline I of the SPring-8 facility. The practical dynamic range was confirmed to be approx 1,000,000 : 1 by measuring S sup - sup 4 decay from a polystyrene latex solution. Steep troughs of scattering profile from an apoferritin solution were clearly obtained without smearing. An unfolding process of a pH jump of cytochrome c was measured. A time resolution of 500 mu s was achieved.

  20. Employing a Cerenkov detector for the thickness measurement of X-rays in a scattering background

    Institute of Scientific and Technical Information of China (English)

    LI Shu-Wei; KANG Ke-Jun; WANG Yi; LI Jin; LI Yuan-Jing; ZHANG Qing-Jun

    2010-01-01

    The variation in environmental scattering background is a major source of systematic errors in X-ray inspection and measurement systems.As the energy of these photons consisting of environmental scattering background is much lower generally,the Cerenkov detectors having the detection threshold are likely insensitive to them and able to exclude their influence.A thickness measurement experiment is designed to verify the idea by employing a Cerenkov detector and an ionizing chamber for comparison.Furthermore,it is also found that the application of the Cerenkov detectors is helpful to exclude another systematic error from the variation of low energy components in the spectrum incident on the detector volume.

  1. X-ray diffuse scattering measurements of nucleation dynamics at femtosecond resolution.

    Science.gov (United States)

    Lindenberg, A M; Engemann, S; Gaffney, K J; Sokolowski-Tinten, K; Larsson, J; Hillyard, P B; Reis, D A; Fritz, D M; Arthur, J; Akre, R A; George, M J; Deb, A; Bucksbaum, P H; Hajdu, J; Meyer, D A; Nicoul, M; Blome, C; Tschentscher, Th; Cavalieri, A L; Falcone, R W; Lee, S H; Pahl, R; Rudati, J; Fuoss, P H; Nelson, A J; Krejcik, P; Siddons, D P; Lorazo, P; Hastings, J B

    2008-04-01

    Femtosecond time-resolved small and wide angle x-ray diffuse scattering techniques are applied to investigate the ultrafast nucleation processes that occur during the ablation process in semiconducting materials. Following intense optical excitation, a transient liquid state of high compressibility characterized by large-amplitude density fluctuations is observed and the buildup of these fluctuations is measured in real time. Small-angle scattering measurements reveal snapshots of the spontaneous nucleation of nanoscale voids within a metastable liquid and support theoretical predictions of the ablation process.

  2. Persistence of Covalent Bonding in Liquid Silicon Probed by Inelastic X-Ray Scattering

    Science.gov (United States)

    Okada, J. T.; Sit, P. H.-L.; Watanabe, Y.; Wang, Y. J.; Barbiellini, B.; Ishikawa, T.; Itou, M.; Sakurai, Y.; Bansil, A.; Ishikawa, R.; Hamaishi, M.; Masaki, T.; Paradis, P.-F.; Kimura, K.; Ishikawa, T.; Nanao, S.

    2012-02-01

    Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.

  3. X-ray diffuse scattering measurements of nucleation dynamics at femtosecond resolution.

    Energy Technology Data Exchange (ETDEWEB)

    Lindenberg, A. M.; Engemann, S.; Gaffney, K. J.; Sokolowski-Tinten, K.; Larsson, J.; Rudati, J.; Fuoss, P. H. (Advanced Photon Source); ( MSD); (Stanford Linear Acelerator Center); (Stanford Univ.); (Stanford Synchrotron Radiation Lab.); (Univ. Duisberg-Essen); (Lund Inst. of Tech.); (Univ. of Michigan); (Deutsches Elektronen-Synchrotron DESY); (Max-Planck Inst. Quantum Optics); (Univ. of California at Berkeley); (Korea Research Inst. Standards and Science); (Univ. of Chicago); (LLNL); (BNL); (Ecole Polytechnique de Montreal)

    2008-03-01

    Femtosecond time-resolved small and wide angle x-ray diffuse scattering techniques are applied to investigate the ultrafast nucleation processes that occur during the ablation process in semiconducting materials. Following intense optical excitation, a transient liquid state of high compressibility characterized by large-amplitude density fluctuations is observed and the buildup of these fluctuations is measured in real time. Small-angle scattering measurements reveal snapshots of the spontaneous nucleation of nanoscale voids within a metastable liquid and support theoretical predictions of the ablation process.

  4. Rayleigh x-ray scattering from many-electron atoms and ions

    Science.gov (United States)

    Surzhykov, A.; Yerokhin, V. A.; Stöhlker, Th; Fritzsche, S.

    2015-07-01

    A theoretical analysis is presented for the elastic Rayleigh scattering of x-rays by many-electron atoms and ions. Special emphasis is placed on the angular distribution and linear polarization of the scattered photons for the case when the incident light is completely (linearly) polarized. Based on second-order perturbation theory and the independent particle approximation, we found that the Rayleigh angular distribution is strongly affected by the charge state and shell structure of the target ions or atoms. This effect can be observed experimentally at modern synchrotron facilities and might provide further insight into the structure of heavy atomic systems.

  5. LIGHT SOURCE: TW Laser system for Thomson scattering X-ray light source at Tsinghua University

    Science.gov (United States)

    Yan, Li-Xm; Du, Ying-Chao; Du, Qiang; Li, Ren-Kai; Hua, Jian-Fei; Huang, Wen-Hui; Tang, Chuan-Xiang

    2009-06-01

    A TW (Tera Watt) laser system based on Ti:sapphire mainly for the Tsinghua Thomson scattering X-ray light source (TTX) is being built. Both UV (ultraviolet) laser pulse for driving the photocathode radio-frequency (RF) gun and the IR (infrared) laser pulse as the electron-beam-scattered-light are provided by the system. Efforts have also been made in laser pulse shaping and laser beam transport to optimize the high-brightness electron beam production by the photocathode RF gun.

  6. TW Laser system for Thomson scattering X-ray light source at Tsinghua University

    Institute of Scientific and Technical Information of China (English)

    YAN Li-Xin; DU Ying-Chao; DU Qiang; LI Ren-Kai; HUA Jian-Fei; HUANG Wen-Hui; TANG Chuan-Xiang

    2009-01-01

    A TW(Tera Watt)laser system based on Ti:sapphire mainly for the Tsinghua Thomson scattering X-ray light source(TTX)is being built.Both UV(ultraviolet)laser pulse for driving the photocathode radiofrequency(RF)gun and the IR(infrared)laser pulse as the electron-beam-scattered-light are provided by the system.Efforts have also been made in laser pulse shaping and laser beam transport to optimize the high-brightness electron beam production by the photocathode RF gun.

  7. Comparative study of different scattering geometries for the proposed Indian X-ray polarization measurement experiment using Geant4

    Energy Technology Data Exchange (ETDEWEB)

    Vadawale, S.V., E-mail: santoshv@prl.res.i [Physical Research Laboratory, Navarangpura, Ahmedabad 380 009 (India); Paul, B. [Raman Research Institute, Sadashivnagar, Bangalore 560 080 (India); Pendharkar, J.; Naik, Sachindra [Physical Research Laboratory, Navarangpura, Ahmedabad 380 009 (India)

    2010-06-21

    Polarization is a very important property of radiation from astrophysical sources. It carries unique information regarding the emission mechanism, physical conditions as well as emission geometry at the origin. Polarization measurements in X-rays can provide unique opportunity to study the behavior of matter and radiation under extreme magnetic fields and extreme gravitational fields. Unfortunately, over past two decades, when X-ray astronomy witnessed multiple order of magnitude improvement in temporal, spatial and spectral sensitivities, there is no (or very little) progress in the field of polarization measurements of astrophysical X-rays. Recently, a proposal has been submitted to Indian Space Research Organization (ISRO) for a dedicated small satellite based experiment to carry out X-ray polarization measurement, which aims to provide the first X-ray polarization measurements since 1976. This experiment will be based on the well known principle of polarization measurement by Thomson scattering and employs the baseline design of a central low Z scatterer (typically Lithium, Lithium Hydride or Beryllium) surrounded by X-ray detectors to measure the angular intensity distribution of the scattered X-rays. The sensitivity of such experiment is determined by the collecting area, scattering and detection efficiency, X-ray detector background, and the modulation factor. Therefore, it is necessary to carefully select the scattering geometry which can provide the highest modulation factor and thus highest sensitivity within the specified experimental constraints. The effective way to determine optimum scattering geometry is by studying various possible scattering geometries by means of Monte Carlo simulations. Here we present results of our detailed comparative study based on Geant4 simulations of five different scattering geometries which can be considered within the weight and size constraints of the proposed small satellite based X-ray polarization measurement

  8. Computational time-resolved and resonant x-ray scattering of strongly correlated materials

    Energy Technology Data Exchange (ETDEWEB)

    Bansil, Arun [Northeastern Univ., Boston, MA (United States)

    2016-11-09

    Basic-Energy Sciences of the Department of Energy (BES/DOE) has made large investments in x-ray sources in the U.S. (NSLS-II, LCLS, NGLS, ALS, APS) as powerful enabling tools for opening up unprecedented new opportunities for exploring properties of matter at various length and time scales. The coming online of the pulsed photon source, literally allows us to see and follow the dynamics of processes in materials at their natural timescales. There is an urgent need therefore to develop theoretical methodologies and computational models for understanding how x-rays interact with matter and the related spectroscopies of materials. The present project addressed aspects of this grand challenge of x-ray science. In particular, our Collaborative Research Team (CRT) focused on developing viable computational schemes for modeling x-ray scattering and photoemission spectra of strongly correlated materials in the time-domain. The vast arsenal of formal/numerical techniques and approaches encompassed by the members of our CRT were brought to bear through appropriate generalizations and extensions to model the pumped state and the dynamics of this non-equilibrium state, and how it can be probed via x-ray absorption (XAS), emission (XES), resonant and non-resonant x-ray scattering, and photoemission processes. We explored the conceptual connections between the time-domain problems and other second-order spectroscopies, such as resonant inelastic x-ray scattering (RIXS) because RIXS may be effectively thought of as a pump-probe experiment in which the incoming photon acts as the pump, and the fluorescent decay is the probe. Alternatively, when the core-valence interactions are strong, one can view K-edge RIXS for example, as the dynamic response of the material to the transient presence of a strong core-hole potential. Unlike an actual pump-probe experiment, here there is no mechanism for adjusting the time-delay between the pump and the probe. However, the core hole

  9. A von Hamos x-ray spectrometer based on a segmented-type diffraction crystal for single-shot x-ray emission spectroscopy and time-resolved resonant inelastic x-ray scattering studies.

    Science.gov (United States)

    Szlachetko, J; Nachtegaal, M; de Boni, E; Willimann, M; Safonova, O; Sa, J; Smolentsev, G; Szlachetko, M; van Bokhoven, J A; Dousse, J-Cl; Hoszowska, J; Kayser, Y; Jagodzinski, P; Bergamaschi, A; Schmitt, B; David, C; Lücke, A

    2012-10-01

    We report on the design and performance of a wavelength-dispersive type spectrometer based on the von Hamos geometry. The spectrometer is equipped with a segmented-type crystal for x-ray diffraction and provides an energy resolution in the order of 0.25 eV and 1 eV over an energy range of 8000 eV-9600 eV. The use of a segmented crystal results in a simple and straightforward crystal preparation that allows to preserve the spectrometer resolution and spectrometer efficiency. Application of the spectrometer for time-resolved resonant inelastic x-ray scattering and single-shot x-ray emission spectroscopy is demonstrated.

  10. Modeling RNA topological structures using small angle X-ray scattering.

    Science.gov (United States)

    Bhandari, Yuba R; Jiang, Wei; Stahlberg, Eric A; Stagno, Jason R; Wang, Yun-Xing

    2016-07-01

    Detailed understanding of the structure and function relationship of RNA requires knowledge about RNA three-dimensional (3D) topological folding. However, there are very few unique RNA entries in structure databases. This is due to challenges in determining 3D structures of RNA using conventional methods, such as X-ray crystallography and NMR spectroscopy, despite significant advances in both of these technologies. Computational methods have come a long way in accurately predicting the 3D structures of small (topological structures, including a new method that combines secondary structural information and SAXS data to sample conformations generated through hierarchical moves of commonly observed RNA motifs.

  11. Erratum: Creation of X-Ray Transparency of Matter by Stimulated Elastic Forward Scattering [Phys. Rev. Lett. 115 , 107402 (2015)

    Energy Technology Data Exchange (ETDEWEB)

    Stöhr, J.; Scherz, A.

    2016-01-06

    X-ray absorption by matter has long been described by the famous Beer-Lambert law. Here we show how this fundamental law needs to be modified for high-intensity coherent x-ray pulses, now available at x-ray free electron lasers, due to the onset of stimulated elastic forward scattering. We present an analytical expression for the modified polarization-dependent Beer-Lambert law for the case of resonant core-to-valence electronic transitions and incident transform limited x-ray pulses. Upon transmission through a solid, the absorption and dichroic contrasts are found to vanish with increasing x-ray intensity, with the stimulation threshold lowered by orders of magnitude through a super-radiative coherent effect. Our results have broad implications for the study of matter with x-ray lasers.

  12. X-ray Dust Scattering at Small Angles: The Complete Halo around GX13+1

    CERN Document Server

    Smith, Randall K

    2008-01-01

    The exquisite angular resolution available with Chandra should allow precision measurements of faint diffuse emission surrounding bright sources, such as the X-ray scattering halos created by interstellar dust. However, the ACIS CCDs suffer from pileup when observing bright sources, and this creates difficulties when trying to extract the scattered halo near the source. The initial study of the X-ray halo around GX13+1 using only the ACIS-I detector done by Smith, Edgar & Shafer (2002) suffered from a lack of sensitivity within 50'' of the source, limiting what conclusions could be drawn. To address this problem, observations of GX13+1 were obtained with the Chandra HRC-I and simultaneously with the RXTE PCA. Combined with the existing ACIS-I data, this allowed measurements of the X-ray halo between 2-1000''. After considering a range of dust models, each assumed to be smoothly distributed with or without a dense cloud along the line of sight, the results show that there is no evidence in this data for a ...

  13. X-Ray Dust Scattering At Small Angles: The Complete Halo Around GX13+1

    Science.gov (United States)

    Smith, Randall K.

    2007-01-01

    The exquisite angular resolution available with Chandra should allow precision measurements of faint diffuse emission surrounding bright sources, such as the X-ray scattering halos created by interstellar dust. However, the ACIS CCDs suffer from pileup when observing bright sources, and this creates difficulties when trying to extract the scattered halo near the source. The initial study of the X-ray halo around GX13+1 using only the ACIS-I detector done by Smith, Edgar & Shafer (2002) suffered from a lack of sensitivity within 50" of the source, limiting what conclusions could be drawn. To address this problem, observations of GX13+1 were obtained with the Chandra HRC-I and simultaneously with the RXTE PCA. Combined with the existing ACIS-I data, this allowed measurements of the X-ray halo between 2-1000". After considering a range of dust models, each assumed to be smoothly distributed with or without a dense cloud along the line of sight, the results show that there is no evidence in this data for a dense cloud near the source, as suggested by Xiang et al. (2005). In addition, although no model leads to formally acceptable results, the Weingartner & Draine (2001) and all but one of the composite grain models from Zubko, Dwek & Arendt (2004) give particularly poor fits.

  14. The effects of dust scattering on high-resolution X-ray absorption edge structure

    Science.gov (United States)

    Corrales, L.; García, J.; Wilms, J.; Baganoff, F.

    2016-06-01

    High energy studies of astrophysical dust complement observations of dusty interstellar gas at other wavelengths. With high resolution X-ray spectroscopy, dust scattering significantly enhances the total extinction optical depth and alters the shape of photoelectric absorption edges. This effect is modulated by the dust grain size distribution, spatial location along the line of sight, and the imaging resolution of the X-ray telescope. At soft energies, the spectrum of scattered light is likely to have significant features at the 0.3 keV (C-K), 0.5 keV (O-K), and 0.7 keV (Fe-L) photoelectric absorption edges. This direct probe of ISM dust grain elements will be important for (i) understanding the relative abundances of graphitic grains or PAHs versus silicates, and (ii) measuring the depletion of gas phase elements into solid form. We focus in particular on the Fe-L edge, fitting a template for the total extinction to the high resolution spectrum of three X-ray binaries from the Chandra archive: GX 9+9, XTE J1817-330, and Cyg X-1. We discuss ways in which spectroscopy with XMM can yield insight into dust obscured objects such as stars, binaries, AGN, and foreground quasar absorption line systems.

  15. A high-field pulsed magnet system for x-ray scattering studies in Voigt geometry

    CERN Document Server

    Islam, Zahirul; Ruff, Jacob P C; Das, Ritesh K; Trakhtenberg, Emil; Nojiri, Hiroyuki; Narumi, Yasuo; Canfield, Paul C

    2011-01-01

    We present a new pulsed-magnet system that enables x-ray single-crystal diffraction in addition to powder and spectroscopic studies in Voigt geometry. The apparatus consists of a large-bore solenoid, cooled by liquid nitrogen. A second independent closed-cycle cryostat is used for cooling samples near liquid helium temperatures. Pulsed magnetic fields up to ~30 T with a minimum of ~6 ms in total duration are generated by discharging a 40 kJ capacitor bank into the magnet coil. The unique characteristic of this instrument is the preservation of maximum scattering angle (~23.6 deg.) through the magnet bore by virtue of a novel double-funnel insert. This instrument would facilitate x-ray diffraction and spectroscopic studies that are impractical, if not impossible, to perform using conventional split-pair magnets and offers a practical solution for preserving optical access in future higher-field pulsed magnets.

  16. Selective gating to vibrational modes through resonant X-ray scattering

    Science.gov (United States)

    Couto, Rafael C.; Cruz, Vinícius V.; Ertan, Emelie; Eckert, Sebastian; Fondell, Mattis; Dantz, Marcus; Kennedy, Brian; Schmitt, Thorsten; Pietzsch, Annette; Guimarães, Freddy F.; Ågren, Hans; Gel'Mukhanov, Faris; Odelius, Michael; Kimberg, Victor; Föhlisch, Alexander

    2017-01-01

    The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.

  17. Intense X-ray sources based on compton scattering in laser electron storage rings

    CERN Document Server

    Gladkikh, P I; Karnaukhov, I M

    2002-01-01

    The main problem of the designing of intense X-ray sources based on Compton scattering in laser-electron storage ring is associated with large steady-state electron beam energy spread. In paper the principles of the development of compact storage ring lattice with large RF-acceptance and negligible chromatic effects at interaction point are considered. The storage ring with electron beam energy over the range 100-400 MeV that allows generating intense VUV from bending magnets, X-ray up to 280 keV with rate up to 10 sup 1 sup 4 photons/s and gamma-beam up to 2.8 MeV for neutron generation on beryllium target is proposed.

  18. Ultra-high-resolution inelastic X-ray scattering at high-repetition-rate self-seeded X-ray free-electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Chubar, Oleg [Brookhaven National Laboratory, Upton, NY 11973 (United States); Geloni, Gianluca [European X-ray Free-Electron Laser, Albert-Einstein-Ring 19, 22761 Hamburg (Germany); Kocharyan, Vitali [Deutsches Elektronen-Synchrotron, 22761 Hamburg (Germany); Madsen, Anders [European X-ray Free-Electron Laser, Albert-Einstein-Ring 19, 22761 Hamburg (Germany); Saldin, Evgeni; Serkez, Svitozar [Deutsches Elektronen-Synchrotron, 22761 Hamburg (Germany); Shvyd’ko, Yuri, E-mail: shvydko@aps.anl.gov [Argonne National Laboratory, Argonne, IL 60439 (United States); Sutter, John [Diamond Light Source Ltd, Didcot OX11 0DE (United Kingdom)

    2016-02-12

    This article explores novel opportunities for ultra-high-resolution inelastic X-ray scattering (IXS) at high-repetition-rate self-seeded XFELs. These next-generation light sources are promising a more than three orders of magnitude increase in average spectral flux compared with what is possible with storage-ring-based radiation sources. In combination with the advanced IXS spectrometer described here, this may become a real game-changer for ultra-high-resolution X-ray spectroscopies, and hence for the studies of dynamics in condensed matter systems. Inelastic X-ray scattering (IXS) is an important tool for studies of equilibrium dynamics in condensed matter. A new spectrometer recently proposed for ultra-high-resolution IXS (UHRIX) has achieved 0.6 meV and 0.25 nm{sup −1} spectral and momentum-transfer resolutions, respectively. However, further improvements down to 0.1 meV and 0.02 nm{sup −1} are required to close the gap in energy–momentum space between high- and low-frequency probes. It is shown that this goal can be achieved by further optimizing the X-ray optics and by increasing the spectral flux of the incident X-ray pulses. UHRIX performs best at energies from 5 to 10 keV, where a combination of self-seeding and undulator tapering at the SASE-2 beamline of the European XFEL promises up to a 100-fold increase in average spectral flux compared with nominal SASE pulses at saturation, or three orders of magnitude more than what is possible with storage-ring-based radiation sources. Wave-optics calculations show that about 7 × 10{sup 12} photons s{sup −1} in a 90 µeV bandwidth can be achieved on the sample. This will provide unique new possibilities for dynamics studies by IXS.

  19. ORNL 10-m small-angle X-ray scattering camera

    Energy Technology Data Exchange (ETDEWEB)

    Hendricks, R.W.

    1979-12-01

    A new small-angle x-ray scattering camera utilizing a rotating anode x-ray source, crystal monochromatization of the incident beam, pinhole collimation, and a two-dimensional position-sensitive proportional counter was developed. The sample, and the resolution element of the detector are each approximately 1 x 1 mm/sup 2/, the camera was designed so that the focal spot-to-sample and sample-to-detector distances may each be varied in 0.5-m increments up to 5 m to provide a system resolution in the range 0.5 to 4.0 mrad. A large, general-purpose specimen chamber has been provided into which a wide variety of special-purpose specimen holders can be mounted. The detector has an active area of 200 x 200 mm and has up to 200 x 200 resolution elements. The data are recorded in the memory of a minicomputer by a high-speed interface which uses a microprocessor to map the position of an incident photon into an absolute minicomputer memory address. The data recorded in the computer memory can be processed on-line by a variety of programs designed to enhance the user's interaction with the experiment. At the highest angular resolution (0.4 mrad), the flux incident on the specimen is 1.0 x 10/sup 6/ photons/s with the x-ray source operating at 45 kV and 100 mA. SAX and its associated programs OVF and MOT are high-priority, pre-queued, nonresident foreground tasks which run under the ModComp II MAX III operating system to provide complete user control of the ORNL 10-m small-angle x-ray scattering camera.

  20. 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...... 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...

  1. Rayleigh scattering of two x-ray photons by an atom

    Science.gov (United States)

    Hopersky, Alexey N.; Nadolinsky, Alexey M.; Novikov, Sergey A.

    2016-05-01

    The process of elastic (Rayleigh) scattering of two x-ray free-electron laser (XFEL) photons by a free He atom is theoretically investigated. We obtain the absolute values and the forms of the triple differential scattering cross section. The main theoretical result is the highest probability of creation of scattered photons with energy ℏ ω±≅ℏ ω ±I1 s (ℏ ω is the energy of the incident XFEL photon, I1 s is the energy of the ionization threshold of the 1 s2 atomic shell). The probability of creation cooled (ω+ ) photons is smaller by many orders of magnitude, and is identically zero when the formal (nonphysical) energy of one of the scattered photons is 2 ℏ ω .

  2. Characterization of Nanocomposite filler Morphology using Ultra Small-Angle X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Justice, Ryan S.; Schaefer, Dale W. (UCIN); (AFRL)

    2010-10-22

    Loading polymer matrices with nanoscale fillers is widely believed to have the potential to push polymer properties to extreme values. Realization of anticipated properties, however, has proven elusive. Recent nanocomposite research suggests better characterization of the large-scale morphology will provide insight explaining these shortfalls. This work will present ultra-small angle X-ray scattering as a viable tool for elucidating the hierarchical filler morphology that exists within polymer nanocomposites. Scattering analysis tools developed by our group will be applied to scattering data from nanocomposites filled with carbon nanotubes, layered silicates, and colloidal silica. The relationship between imaging data and scattering data will be discussed in the context of filler dispersion. Finally, the impact of large-scale filler morphology on mechanical and electrical properties will be discussed.

  3. Investigations of Silk Fibers Using X-Ray Scattering and Atomic Force Microscopy

    Science.gov (United States)

    Miller, Lance D.; Putthanarat, Sirina; Eby, Ronald K.; Adams, W. W.; Liu, G. F.

    1998-03-01

    Silk fibers from the cocoon of Bombyx mori and the dragline of Nephila clavipes have been investigated by small angle x-ray scattering (SAXS) and atomic force microscopy (AFM). The large scale morphology of these silks have minimum scattering dimensions, and correlation length on the order of 150-300 nm. Several types of AFM measurements on peeled and abraided silk samples have revealed dimensions in agreement with SAXS results. Further agreemeent has been found through the incorporation of discrete Fourier transform theory on AFM topographic information as compared to SAXS patterns. This incorporation allows the materials scientist a way of visualizing the relationship between a material and its resulting scattering function. All of these studies yield a more complete view of the silk morphology and give a new method of model building from scattering experiments.

  4. X-Ray Polarization Optics and Coherent Nuclear Resonance Scattering Using Synchrotron Radiation.

    Science.gov (United States)

    Shastri, Sarvjit Devdat

    1995-01-01

    Two projects, both involving X-ray scattering with synchrotron radiation, are presented in this dissertation. (1) A system of diffracting perfect crystals for the generation of variable, elliptically polarized X-rays was tested at the Cornell High Energy Synchrotron Source under the conditions of a standard undulator source. The phase retarding optical component was a 4-bounce, Ge(220) Bragg reflection channel -cut crystal. The full polarization state (density matrix) of the output beam, including the circular polarization purity P_3, was determined using the multiple-beam Bragg diffraction technique with a GaAs crystal polarimeter and was found to agree with calculations. In addition to measuring the optics' efficiency, the ability to scan the system in energy, while frequently reversing the circular helicity, was demonstrated at the vicinity of the Fe K-edge at 7.1 keV. The setup was applied to a circular magnetic X-ray dichroism measurement. (2) The time distribution of delayed photons from resonant forward scattering of 14.4 keV synchrotron radiation pulses by ^{57}Fe nuclei was investigated over the temperature range from 9 K to just above the Curie point at 1043 K, with particular attention to precise measurements of the Lamb-Mossbauer factor f_{LM } ~ e^{- } , whose change was determined from its influence on the "speed-up" of coherent decay. Apart from its importance in Mossbauer effect studies, knowing the temperature dependence of f_{LM} can be valuable for studies of lattice dynamics and structural phase transitions. The change in the nuclear hyperfine splitting was also measured. The synchrotron technique has precision-enhancing advantages over conventional Mossbauer spectroscopy methods employing radioactive sources because dealing with source effects and absolute intensity measurements is eliminated. The results also straightforwardly illustrate an interesting principle concerning the temperature dependence of scattering --that for "slow" resonance

  5. Soft X-ray Resonant Scattering in Manganites as a Probe of Orbital Order: Theoretical Predictions

    Science.gov (United States)

    Altarelli, Massimo

    2001-03-01

    The claim of the detection of orbital order [1] in manganites by resonant x-ray scattering at the Mn K-edge has raised considerable controversy [2] because of the indirect mechanism by which properties of the 3d electrons are probed by a process involving excitation into the 4p states. In particular, the possibility that x-ray experiments probe Jahn-Teller displacements, rather than orbital order, has been debated. An alternative proposal [3] is to use resonant scattering at the Mn L2 and L3 edges, with dipole allowed excitation into 3d states, as a more direct probe allowing to separate effects related to the order of the 3d orbitals from lattice displacements. Given the longer wavelength, only order with a period longer than about 0.97 nm is accessible. There are however systems, like La_1-x(Ca,Sr)_xMnO3 for x=0.5, x=0.33, etc., in addition to La_0.5Sr_1.5MnO4 where this condition is fulfilled. Calculations within an atomic multiplet scheme, with inclusion of crystal field effects, which point to an easier separation of orbital order from lattice displacements in the soft x-ray case, are presented and discussed. Different structures in the energy dependence of the scattering intensity are related predominantly to one of the two mechanisms. Other issues, such as the smaller scattering volume due to photoelectric absorption effects, are also addressed. 1. Y. Murakami et al., Phys. Rev. Lett. 80, 1932 (1998); ibid. 81, 582 (1998). 2. Elfimov et al., Phys. Rev. Lett. 82, 4264 (1998); M. Benfatto et al., Phys. Rev. Lett. 83, 636 (1999); M. Takahashi et al., J. Phys. Soc. Japan 68, 2530 (1999). 3. C.W.M. Castleton and M. Altarelli, Phys. Rev B 62, 1033 (2000).

  6. Structural Significance of Lipid Diversity as Studied by Small Angle Neutron and X-ray Scattering

    Directory of Open Access Journals (Sweden)

    Norbert Kučerka

    2015-09-01

    Full Text Available We review recent developments in the rapidly growing field of membrane biophysics, with a focus on the structural properties of single lipid bilayers determined by different scattering techniques, namely neutron and X-ray scattering. The need for accurate lipid structural properties is emphasized by the sometimes conflicting results found in the literature, even in the case of the most studied lipid bilayers. Increasingly, accurate and detailed structural models require more experimental data, such as those from contrast varied neutron scattering and X-ray scattering experiments that are jointly refined with molecular dynamics simulations. This experimental and computational approach produces robust bilayer structural parameters that enable insights, for example, into the interplay between collective membrane properties and its components (e.g., hydrocarbon chain length and unsaturation, and lipid headgroup composition. From model studies such as these, one is better able to appreciate how a real biological membrane can be tuned by balancing the contributions from the lipid’s different moieties (e.g., acyl chains, headgroups, backbones, etc..

  7. Soft Proton Scattering Efficiency Measurements on X-Ray Mirror Shells

    CERN Document Server

    Diebold, S; Perinati, E; Santangelo, A; Freyberg, M; Friedrich, P; Jochum, J

    2015-01-01

    In-orbit experience has shown that soft protons are funneled more efficiently through focusing Wolter-type optics of X-ray observatories than simulations predicted. These protons can degrade the performance of solid-state X-ray detectors and contribute to the instrumental background. Since laboratory measurements of the scattering process are rare, an experiment for grazing angles has been set up at the accelerator facility of the University of T\\"ubingen. Systematic measurements at incidence angles ranging from 0.3{\\deg} to 1.2{\\deg} with proton energies around 250 keV, 500 keV, and 1 MeV have been carried out. Parts of spare mirror shells of the eROSITA (extended ROentgen Survey with an Imaging Telescope Array) instrument have been used as scattering targets. This publication comprises a detailed description of the setup, the calibration and normalization methods, and the scattering efficiency and energy loss results. A comparison of the results with a theoretical scattering description and with simulations...

  8. Effect of Cobalt Fillers on Polyurethane Segmentations Investigated by Synchrotron Small Angle X-Ray Scattering

    Directory of Open Access Journals (Sweden)

    Krit Koyvanich

    2013-01-01

    Full Text Available The segmentation between rigid and rubbery chains in polyurethanes (PUs influences polymeric properties and implementations. Several models have successfully been proposed to visualize the configuration between the hard segment (HS and soft segment (SS. For particulate PU composites, the arrangement of HS and SS is more complicated because the fillers tend to disrupt the chain formation and segmentation. In this work, the effect of ferromagnetic cobalt (Co powders (average diameter 2 μm on PU synthesized from a reaction between polyether polyol (soft segment and diphenylmethane-4,4′-diisocyanate (hard segment was studied with varying loadings (0, 20, 40, and 60 wt.%. The 300 μm thick PU/Co samples were tape-casted and then received heat treatment at 80°C for 180 min. From synchrotron small angle X-ray scattering (SAXS, the plot of the X-ray scattering intensity (I against the scattering vector (q exhibited a typical single peak of PU whose intensity was reduced by the increase in the Co loading. Characteristic SAXS peaks in the case of 0-20 wt.% Co agreed well with the scattering by globular hard segment domains according to Zernike-Prins and Percus-Yevick models. The higher Co loadings led to larger deviations from all theoretical models.

  9. Generation of Attosecond X-Ray Pulse through Coherent Relativistic Nonlinear Thomson Scattering

    CERN Document Server

    Lee, K; Jeong, Y U; Lee, B C; Park, S H

    2005-01-01

    In contrast to some recent experimental results, which state that the Nonlinear Thomson Scattered (NTS) radiation is incoherent, a coherent condition under which the scattered radiation of an incident laser pulse by a bunch of electrons can be coherently superposed has been investigated. The Coherent Relativistic Nonlinear Thomson Scattered (C-RNTS) radiation makes it possible utilizing the ultra-short pulse nature of NTS radiation with a bunch of electrons, such as plasma or electron beams. A numerical simulation shows that a 25 attosecond X-ray pulse can be generated by irradiating an ultra-intense laser pulse of 4x10(19) W/cm2 on an ultra-thin solid target of 50 nm thickness, which is commercially available. The coherent condition can be easily extended to an electron beam from accelerators. Different from the solid target, much narrower electron beam is required for the generation of an attosecond pulse. Instead, this condition could be applied for the generation of intense Compton scattered X-rays with a...

  10. The complex ion structure of warm dense carbon measured by spectrally resolved x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, D.; Barbrel, B.; Falcone, R. W. [Department of Physics, University of California, Berkeley, California 94720 (United States); Vorberger, J. [Max-Planck-Institut für Physik komplexer Systeme, Nöthnitzer Straße 38, 01187 Dresden (Germany); Helfrich, J.; Frydrych, S.; Ortner, A.; Otten, A.; Roth, F.; Schaumann, G.; Schumacher, D.; Siegenthaler, K.; Wagner, F.; Roth, M. [Institut für Kernphysik, Technische Universität Darmstadt, Schlossgartenstraße 9, 64289 Darmstadt (Germany); Gericke, D. O.; Wünsch, K. [Centre for Fusion, Space and Astrophysics, Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Bachmann, B.; Döppner, T. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Bagnoud, V.; Blažević, A. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, Planckstraße 1, 64291 Darmstadt (Germany); and others

    2015-05-15

    We present measurements of the complex ion structure of warm dense carbon close to the melting line at pressures around 100 GPa. High-pressure samples were created by laser-driven shock compression of graphite and probed by intense laser-generated x-ray sources with photon energies of 4.75 keV and 4.95 keV. High-efficiency crystal spectrometers allow for spectrally resolving the scattered radiation. Comparing the ratio of elastically and inelastically scattered radiation, we find evidence for a complex bonded liquid that is predicted by ab-initio quantum simulations showing the influence of chemical bonds under these conditions. Using graphite samples of different initial densities we demonstrate the capability of spectrally resolved x-ray scattering to monitor the carbon solid-liquid transition at relatively constant pressure of 150 GPa. Showing first single-pulse scattering spectra from cold graphite of unprecedented quality recorded at the Linac Coherent Light Source, we demonstrate the outstanding possibilities for future high-precision measurements at 4th Generation Light Sources.

  11. Deterministic simulation of first-order scattering in virtual X-ray imaging

    Energy Technology Data Exchange (ETDEWEB)

    Freud, N. E-mail: nicolas.freud@insa-lyon.fr; Duvauchelle, P.; Pistrui-Maximean, S.A.; Letang, J.-M.; Babot, D

    2004-07-01

    A deterministic algorithm is proposed to compute the contribution of first-order Compton- and Rayleigh-scattered radiation in X-ray imaging. This algorithm has been implemented in a simulation code named virtual X-ray imaging. The physical models chosen to account for photon scattering are the well-known form factor and incoherent scattering function approximations, which are recalled in this paper and whose limits of validity are briefly discussed. The proposed algorithm, based on a voxel discretization of the inspected object, is presented in detail, as well as its results in simple configurations, which are shown to converge when the sampling steps are chosen sufficiently small. Simple criteria for choosing correct sampling steps (voxel and pixel size) are established. The order of magnitude of the computation time necessary to simulate first-order scattering images amounts to hours with a PC architecture and can even be decreased down to minutes, if only a profile is computed (along a linear detector). Finally, the results obtained with the proposed algorithm are compared to the ones given by the Monte Carlo code Geant4 and found to be in excellent accordance, which constitutes a validation of our algorithm. The advantages and drawbacks of the proposed deterministic method versus the Monte Carlo method are briefly discussed.

  12. Development study of the X-ray scattering properties of a group of optically polished flat samples

    Science.gov (United States)

    Froechtenigt, J. F.

    1973-01-01

    A group of twelve optically polished flat samples were used to study the scattering of X-rays. The X-ray beam reflected from the twelve optical flat samples was analyzed by means of a long vacuum system of special design for these tests. The scattering measurements were made at 8.34A and 0.92 deg angle of incidence. The results for ten of the samples are comparable, the two exceptions being the fire polished samples.

  13. Study of human blood and hemocomponents irradiated by low angle x ray scattering (LAXS)

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Nivia G. Villela; Barroso, Regina C. [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Inst. de Fisica. Dept. de Fisica Aplicada e Termodinamica], e-mail: nitatag@gmail.com; Mota, Carla L.S.; Almeida, Andre P.; Azeredo, Soraia R.; Braz, Delson [Coordenacao dos Programas de Pos-graduacao em Engenharia (COPPE/UFRJ), RJ (Brazil). Lab. de Instrumentacao Nuclear], e-mail: delson@lin.ufrj.br

    2009-07-01

    Irradiation of blood and blood components is currently practiced in developed and in a few developing countries. The main purpose of this process is the prevention of graft versus host disease in immunodeficient patients. The Food and Drug Administration recommends a dose range of 15 Gy to 25 Gy for these blood components. When x-ray photons are scattered from biological samples, their angular distribution shows one or more peaks in the forward direction of scattering. These peaks are characteristic for the investigated samples. Due to its wide range of biological and medical applications, low-angle x-ray scattering has attracted the attention of many authors. Thus in this present work was studied the possible variations in scattering profiles due to the irradiation when the gender of patients was considered. Fresh blood specimens were obtained from volunteers using vacutainer tubes containing EDTA, at the Dr. Eliel Figueiredo Laboratory, Rio de Janeiro. All the samples were lyophilized for 48 hours in a freeze drier in order to remove the water. The scattering measurements were carried out in e-2e reflection geometry using a powder diffractometer Shimadzu XRD- 6000. The measured characterization parameters for LAXS were associated with epidemiological data (gender). The mean values of the different parameters were compared using the Students's t-test for each characterization parameters. The scattering profiles from plasma and formed elements are characterized by the presence of two peaks in the forward direction of scattering. For epidemiological data (gender) analyzed was not found significant changes in the mostly of characterization parameters (p>0.05). (author)

  14. Extreme ultraviolet resonant inelastic X-ray scattering (RIXS) at a seeded free-electron laser

    Science.gov (United States)

    Dell’Angela, M.; Hieke, F.; Malvestuto, M.; Sturari, L.; Bajt, S.; Kozhevnikov, I. V.; Ratanapreechachai, J.; Caretta, A.; Casarin, B.; Glerean, F.; Kalashnikova, A. M.; Pisarev, R. V.; Chuang, Y.-D.; Manzoni, G.; Cilento, F.; Mincigrucci, R.; Simoncig, A.; Principi, E.; Masciovecchio, C.; Raimondi, L.; Mahne, N.; Svetina, C.; Zangrando, M.; Passuello, R.; Gaio, G.; Prica, M.; Scarcia, M.; Kourousias, G.; Borghes, R.; Giannessi, L.; Wurth, W.; Parmigiani, F.

    2016-12-01

    In the past few years, we have been witnessing an increased interest for studying materials properties under non-equilibrium conditions. Several well established spectroscopies for experiments in the energy domain have been successfully adapted to the time domain with sub-picosecond time resolution. Here we show the realization of high resolution resonant inelastic X-ray scattering (RIXS) with a stable ultrashort X-ray source such as an externally seeded free electron laser (FEL). We have designed and constructed a RIXS experimental endstation that allowed us to successfully measure the d-d excitations in KCoF3 single crystals at the cobalt M2,3-edge at FERMI FEL (Elettra-Sincrotrone Trieste, Italy). The FEL-RIXS spectra show an excellent agreement with the ones obtained from the same samples at the MERIXS endstation of the MERLIN beamline at the Advanced Light Source storage ring (Berkeley, USA). We established experimental protocols for performing time resolved RIXS experiments at a FEL source to avoid X ray-induced sample damage, while retaining comparable acquisition time to the synchrotron based measurements. Finally, we measured and modelled the influence of the FEL mixed electromagnetic modes, also present in externally seeded FELs, and the beam transport with ~120 meV experimental resolution achieved in the presented RIXS setup.

  15. X-Raying the Dark Side of Venus - Scatter from Venus Magnetotail?

    CERN Document Server

    Afshari, M; Jibben, P R; Petralia, A; Reale, F; Weber, M

    2016-01-01

    This work analyzes the X-ray, EUV and UV emission apparently coming from the Earth-facing (dark) side of Venus as observed with Hinode/XRT and SDO/AIA during a transit across the solar disk occurred in 2012. We have measured significant X-Ray, EUV and UV flux from Venus dark side. As a check we have also analyzed a Mercury transit across the solar disk, observed with Hinode/XRT in 2006. We have used the latest version of the Hinode/XRT Point Spread Function (PSF) to deconvolve Venus and Mercury X-ray images, in order to remove possible instrumental scattering. Even after deconvolution, the flux from Venus shadow remains significant while in the case of Mercury it becomes negligible. Since stray-light contamination affects the XRT Ti-poly filter data from the Venus transit in 2012, we performed the same analysis with XRT Al-mesh filter data, which is not affected by the light leak. Even the Al-mesh filter data show residual flux. We have also found significant EUV (304 A, 193 A, 335 A) and UV (1700 A) flux in ...

  16. Radiation damage in polymer films from grazing-incidence X-ray scattering measurements

    Energy Technology Data Exchange (ETDEWEB)

    Vaselabadi, Saeed Ahmadi [Department of Chemical and Biomolecular Engineering, University of Houston, Houston Texas 77204-4004; Shakarisaz, David [Department of Electrical and Computer Engineering, University of Houston, Houston Texas 77204-4005; Ruchhoeft, Paul [Department of Electrical and Computer Engineering, University of Houston, Houston Texas 77204-4005; Strzalka, Joseph [X-Ray Science Division, Argonne National Laboratory, Argonne Illinois 60439; Stein, Gila E. [Department of Chemical and Biomolecular Engineering, University of Houston, Houston Texas 77204-4004

    2016-02-16

    Grazing-incidence X-ray scattering (GIXS) is widely used to analyze the crystallinity and nanoscale structure in thin polymer lms. However, ionizing radiation will generate free radicals that initiate cross-linking and/or chain scission, and structural damage will impact the ordering kinetics, thermodynamics, and crystallinity in many polymers. We report a simple methodology to screen for beam damage that is based on lithographic principles: lms are exposed to patterns of x-ray radiation, and changes in polymer structure are revealed by immersing the lm in a solvent that dissolves the shortest chains. The experiments are implemented with high throughput using the standard beam line instrumentation and a typical GIXS configuration. The extent of damage (at a fixed radiation dose) depends on a range of intrinsic material properties and experimental variables, including the polymer chemistry and molecular weight, exposure environment, llm thickness, and angle of incidence. The solubility switch for common polymers is detected within 10-60 sec at ambient temperature, and we verified that this first indication of damage corresponds with the onset of network formation in glassy polystyrene and a loss of crystallinity in polyalkylthiophenes. Therefore, grazing-incidence x-ray patterning offers an efficient approach to determine the appropriate data acquisition times for any GIXS experiment.

  17. Synthesis, NMR characterization, X-ray structural analysis and theoretical calculations of amide and ester derivatives of the coumarin scaffold

    Science.gov (United States)

    Matos, Maria J.; Uriarte, Eugenio; Santana, Lourdes; Vilar, Santiago

    2013-06-01

    Compounds 1 (4-methyl-N-(coumarin-3-yl)benzamide) and 2 ((coumarin-3-yl)-4-methylbenzoate) were synthesized by linking the coumarin system (3-aminocoumarin or 3-hydroxycoumarin, respectively) to a p-toluoylchloride. 1H and 13C NMR and X-ray diffractometry determined the molecular structures of both derivatives. The X-ray results were compared to those obtained by conformational analysis followed by semiempirical methodologies (AM1 and PM3). The theoretical calculations yielded results reproducing the whole three-dimensional (3D) structure of both molecules in a good agreement with X-ray structural analysis. The global structures of the two compounds are very similar in the two studied environments, meaning that the structural determination in the gas phase can be extrapolated. A comparative study between compounds 1 and 2, based on the structural results, was carried out.

  18. Protein folding and protein metallocluster studies using synchrotron small angler X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Eliezer, D.

    1994-06-01

    Proteins, biological macromolecules composed of amino-acid building blocks, possess unique three dimensional shapes or conformations which are intimately related to their biological function. All of the information necessary to determine this conformation is stored in a protein`s amino acid sequence. The problem of understanding the process by which nature maps protein amino-acid sequences to three-dimensional conformations is known as the protein folding problem, and is one of the central unsolved problems in biophysics today. The possible applications of a solution are broad, ranging from the elucidation of thousands of protein structures to the rational modification and design of protein-based drugs. The scattering of X-rays by matter has long been useful as a tool for the characterization of physical properties of materials, including biological samples. The high photon flux available at synchrotron X-ray sources allows for the measurement of scattering cross-sections of dilute and/or disordered samples. Such measurements do not yield the detailed geometrical information available from crystalline samples, but do allow for lower resolution studies of dynamical processes not observable in the crystalline state. The main focus of the work described here has been the study of the protein folding process using time-resolved small-angle x-ray scattering measurements. The original intention was to observe the decrease in overall size which must accompany the folding of a protein from an extended conformation to its compact native state. Although this process proved too fast for the current time-resolution of the technique, upper bounds were set on the probable compaction times of several small proteins. In addition, an interesting and unexpected process was detected, in which the folding protein passes through an intermediate state which shows a tendency to associate. This state is proposed to be a kinetic molten globule folding intermediate.

  19. Grazing Incidence Small Angle X-Ray Scattering: Technique and Application to Discontinuous Thin Films

    Science.gov (United States)

    Levine, Joanne Rachel

    1990-01-01

    During the early stages of thin film growth in many thin film-substrate systems, adsorbate atoms form discrete three-dimensional islands, typically 10 A to 150 A in size. In order to study these islands, surface sensitive small angle x-ray scattering has been done for the first time by using a grazing incidence geometry (GISAXS). In this method, the substrate is aligned for total external reflection and the islands produce small angle scattering from the refracted beam crossing the substrate surface. The motivation for developing the GISAXS technique is the advantages GISAXS offers. First, because GISAXS works in reflection, there are no substrate thickness restrictions. Second, there is no sample conductivity requirement. Third, there are no x-ray beam induced sample changes. Finally, the x-ray beam samples all of the islands in the beam path simultaneously. In order to examine thin films in situ with GISAXS, an ultra-high vacuum chamber has been built which can be attached to a rotating anode or synchrotron x-ray source. This chamber is equipped with a pair of beryllium windows, a metal evaporator, a sample heater, and a precision rotary sample holder feedthrough. The GISAXS technique was applied to a model system of gold islands on glass substrates. The glass provides high reflectivity and gold provides strong atomic number contrast. For as-deposited films from 5 A to 15 A in average thickness, average island sizes, heights, and preferred island spacings, and the island surface roughness were determined. From the results of low temperature (< 375^circK) post-deposition annealing experiments, a model was developed which explains the observed slow time-dependence of post-deposition island growth in terms of overlapping diffusion fields and mass transfer by island mobility. The activation energy for this process was determined to be 0.49 eV. These GISAXS results were supplemented with transmission electron micrographs of and grazing incidence wide angle x-ray

  20. X-ray scattering measurements on imploding CH spheres at the National Ignition Facility

    Science.gov (United States)

    Kraus, D.; Chapman, D. A.; Kritcher, A. L.; Baggott, R. A.; Bachmann, B.; Collins, G. W.; Glenzer, S. H.; Hawreliak, J. A.; Kalantar, D. H.; Landen, O. L.; Ma, T.; Le Pape, S.; Nilsen, J.; Swift, D. C.; Neumayer, P.; Falcone, R. W.; Gericke, D. O.; Döppner, T.

    2016-07-01

    We have performed spectrally resolved x-ray scattering measurements on highly compressed polystyrene at pressures of several tens of TPa (100 Mbar) created by spherically convergent shocks at the National Ignition Facility. Scattering data of line radiation at 9.0 keV were recorded from the dense plasma shortly after shock coalescence. Accounting for spatial gradients, opacity effects, and source broadening, we demonstrate the sensitivity of the elastic scattering component to carbon K -shell ionization while at the same time constraining the temperature of the dense plasma. For six times compressed polystyrene, we find an average temperature of 86 eV and carbon ionization state of 4.9, indicating that widely used ionization models need revision in order to be suitable for the extreme states of matter tested in our experiment.

  1. 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).

  2. Time-resolved synchrotron radiation X-ray solution scattering study of DNA melting.

    Science.gov (United States)

    Puigdomenech, J; Perez-Grau, L; Porta, J; Vega, M C; Sicre, P; Koch, M H

    1989-09-01

    Time resolved x-ray solution scattering measurements were made during thermal denaturation of DNA from various sources in the temperature range of 20-90 degrees C. Preliminary results on the influence of fragment length, ionic strength, and origin of the DNA on the time course of the scattering are described. Interpretation is based on model calculations of the scattering patterns. The results indicate that, for long DNA fragments at very low ionic strength, the melting process is a continuous phenomenon over the whole temperature range. It is accompanied by a progressive decrease of the radius of gyration of the cross section and of the mass per unit length. For short fragments of 146 base pair nucleosomal core DNA, stiffening of the DNA appears to precede a sharp melting transition.

  3. Structure determination of Pt-coated Au dumbbells via fluctuation X-ray scattering.

    Science.gov (United States)

    Chen, Gang; Modestino, Miguel A; Poon, Billy K; Schirotzek, André; Marchesini, Stefano; Segalman, Rachel A; Hexemer, Alexander; Zwart, Peter H

    2012-09-01

    A fluctuation X-ray scattering experiment has been carried out on platinum-coated gold nanoparticles randomly oriented on a substrate. A complete algorithm for determining the electron density of an individual particle from diffraction patterns of many particles randomly oriented about a single axis is demonstrated. This algorithm operates on angular correlations among the measured intensity distributions and recovers the angular correlation functions of a single particle from measured diffraction patterns. Taking advantage of the cylindrical symmetry of the nanoparticles, a cylindrical slice model is proposed to reconstruct the structure of the nanoparticles by fitting the experimental ring angular auto-correlation and small-angle scattering data obtained from many scattering patterns. The physical meaning of the refined structure is discussed in terms of their statistical distributions of the shape and electron density profile.

  4. Compton Scattering and Its Applications: The PLEIADES Femtosecond X-ray Source at LLNL

    Energy Technology Data Exchange (ETDEWEB)

    Hartemann, F V; Brown, W J; Anderson, S G; Barty, C P J; Betts, S M; Booth, R; Crane, J K; Cross, R R; Fittinghoff, D N; Gibson, D J; Kuba, J; Rupp, B; Tremaine, A M; Springer, P T

    2003-05-01

    Remarkable developments in critical technologies including terawatt-class lasers using chirped-pulse amplification, high brightness photoinjectors, high-gradient accelerators, and superconducting linacs make it possible to design and operate compact, tunable, subpicosecond Compton scattering x-ray sources with a wide variety of applications. In such novel radiation sources, the collision between a femtosecond laser pulse and a low emittance relativistic electron bunch in a small ({micro}m{sup 3}) interaction volume produces Doppler-upshifted scattered photons with unique characteristics: the energy is tunable in the 5-500 keV range, the angular divergence of the beam is small (mrad), and the pulses are ultrashort (10 fs - 10 ps). Two main paths are currently being followed in laboratories worldwide: high peak brightness, using ultrahigh intensity femtosecond lasers at modest repetition rates, and high average brightness, using superconducting linac and high average power laser technology at MHz repetition rates. Targeted applications range from x-ray protein crystallography and high contrast medical imaging to femtosecond pump-probe and diffraction experiments. More exotic uses of such sources include the {gamma}-{gamma} collider, NIF backlighting, nonlinear Compton scattering, and high-field QED. Theoretical considerations and experimental results will be discussed within this context.

  5. Temperature-dependent small-angle x-ray scattering from poly(vinylidene fluoride)

    Science.gov (United States)

    Schultz, J. M.; Lin, J. S.; Hendricks, R. W.; Lagasse, R. R.; Kepler, R. G.

    1980-10-01

    X-ray scattering measurements over the angular range 2-30 mrad are reported for a uniaxially oriented poly(vinylidene fluoride) film containing the phase I crystal polymorph. Each intensity profile exhibits at ˜10 mrad an interference peak arising from quasiperiodic variation in electron density between crystalline and amorphous phases of the polymer. Over the temperature range 25-72 °C, reversible changes of 23% in peak intensity and 6% in peak position are observed. These reversible changes in x-ray scattering are analyzed in terms of a one-dimensional stack of alternating crystalline and amorphous layers. These model calculations show that the observed changes in the interference peak cannot be explained solely by thermal expansion within the two phases. In accordance with previous studies on other semicrystalline polymers, this discrepancy between observed scattering results and the predictions for thermal expansion is taken to be evidence that the crystallinity changes reversibly over the investigated temperature range. This evidence for reversible crystal melting is consistent with a hypothesis proposed by Kepler and Anderson to explain the pyroelectric response of polarized, phase I poly(vinylidene fluoride) films.

  6. Temperature-dependent small-angle x-ray scattering from poly(vinylidene fluoride)

    Energy Technology Data Exchange (ETDEWEB)

    Schultz, J.M.; Lin, J.S.; Hendricks, R.W.; Lagasse, R.R.; Kepler, R.G.

    1980-10-01

    X-ray scattering measurements over the angular range 2--30 mrad are reported for a uniaxially oriented poly(vinylidene fluoride) film containing the phase I crystal polymorph. Each intensity profile exhibits at approx.10 mrad an interference peak arising from quasiperiodic variation in electron density between crystalline and amorphous phases of the polymer. Over the temperature range 25--72 /sup 0/C, reversible changes of 23% in peak intensity and 6% in peak position are observed. These reversible changes in x-ray scattering are analyzed in terms of a one-dimensional stack of alternating crystalline and amorphous layers. These model calculations show that the observed changes in the interference peak cannot be explained solely by thermal expansion within the two phases. In accordance with previous studies on other semicrystalline polymers, this discrepancy between observed scattering results and the predictions for thermal expansion is taken to be evidence that the crystallinity changes reversibly over the investigated temperature range. This evidence for reversible crystal melting is consistent with a hypothesis proposed by Kepler and Anderson to explain the pyroelectric response of polarized, phase I poly(vinylidene fluoride) films.

  7. Density of hydrophobically confined deeply cooled water investigated by small angle X-ray scattering

    Science.gov (United States)

    Liu, Kao-Hsiang; Zhang, Yang; Jeng, U.-Ser; Mou, Chung-Yuan

    2015-09-01

    Water's behavior near hydrophobic surfaces has attracted great attention due to chemical and geological applications. Here, we report small angle X-ray scattering (SAXS) studies of water confined in the hydrophobic nanoporous carbon material, CMK-1-14, from ambient to deeply cooled temperatures. By monitoring the scattering intensity of the first Bragg peak, which is directly related to the scattering length density contrast between the carbon matrix and the confined water, the average density of the hydrophobically confined water was determined from 300 K to 150 K at ambient pressure. Furthermore, differential scanning calorimetry and X-ray diffraction measurements showed that the majority of such hydrophobically confined water did not crystallize in the investigated temperature range. By exploiting the fast speed of SAXS measurements and the continuous temperature ramping, the average density profile and the deduced thermal expansion coefficient (αp) were obtained. We found that the well-known density maximum of water at 277 K downshifted to 260 K, and the density minimum which has been observed in hydrophilic confinement disappeared. In addition, the previously measured large density decreasing of 18% at low temperature was recalibrated to a more reasonable 10% instead. Consequently, the recalculated αp peak was found to be quite similar to that of the water confined in hydrophilic MCM-41-S-15 suggesting an intrinsic property of water, which does not sensitively depend on the confinement surface.

  8. Compton Scattering and its Applications:. the Pleiades Femtosecond X-Ray Source at LLNL

    Science.gov (United States)

    Hartemann, F. V.; Brown, W. J.; Anderson, S. G.; Barty, C. P. J.; Betts, S. M.; Booth, R.; Crane, J. K.; Cross, R. R.; Fittinghoff, D. N.; Gibson, D. J.; Kuba, J.; Rupp, B.; Tremaine, A. M.; Springer, P. T.

    2004-10-01

    Remarkable developments in critical technologies including terawatt-class lasers using chirped-pulse amplification, high brightness photoinjectors, high-gradient accelerators, and superconducting linacs make it possible to design and operate compact, tunable, subpicosecond Compton scattering x-ray sources with a wide variety of applications. In such novel radiation sources, the collision between a femtosecond laser pulse and a low emittance relativistic electron bunch in a small (μm3) interaction volume produces Doppler-upshifted scattered photons with unique characteristics: the energy is tunable in the 5-500 keV range, the angular divergence of the beam is small (mrad), and the pulses are ultrashort (10 fs - 10 ps). Two main paths are currently being followed in laboratories worldwide: high peak brightness, using ultrahigh intensity femtosecond lasers at modest repetition rates, and high average brightness, using superconducting linac and high average power laser technology at MHz repetition rates. Targeted applications range from x-ray protein crystallography and high contrast medical imaging to femtosecond pump-probe and diffraction experiments. More exotic uses of such sources include the γ-γ collider, NIF backlighting, nonlinear Compton scattering, and high-field QED. Theoretical considerations and experimental results will be discussed within this context.

  9. Development of Resonant Soft X-ray Scattering for Polymer Systems at Advanced Light Source

    Science.gov (United States)

    Wang, Cheng; Hexemer, Alexander; Nasiatka, James; Chan, Elaine; Padmore, Howard

    2010-03-01

    It is envisioned that many polymer applications will rely on the heterogeneous morphologies of polymer blends or block copolymers to yield specific functional properties, such as organic light-emitting diodes and photovoltaics. Over the past few years, it has been strongly demonstrated that scattering at soft x-ray energies near the carbon K-edge yields chemically specific and enhanced contrast, thereby enabling structural studies of heterogeneous polymer films with thicknesses of only tens of nanometers. Resonant soft x-ray scattering (RSoXS) will provide the capability for a high-resolution chemical probe with interfacial sensitivity. We will discuss here the development of a dedicated RSoXS setup at the ALS Beamline 11.0.1, which is an elliptically polarized undulator beamline that covers the energy range of 200-1300 eV. It can accommodate a large variety of thin film samples and scattering geometries, including transmission, specular and off-specular reflection, as well as grazing incidence geometries, that will enable users to study both laterally- and depth-resolved structures. The generality, strength, and ease of RSoXS will have significant and immediate impacts in many areas of polymer science and technology. This will be achieved through systematic, collaborative studies of materials with potentially high impact applications.

  10. X-ray scattering evaluation of ultrastructural changes in human dental tissues with thermal treatment.

    Science.gov (United States)

    Sandholzer, Michael A; Sui, Tan; Korsunsky, Alexander M; Walmsley, Anthony Damien; Lumley, Philip J; Landini, Gabriel

    2014-05-01

    Micro- and ultrastructural analysis of burned skeletal remains is crucial for obtaining a reliable estimation of cremation temperature. Earlier studies mainly focused on heat-induced changes in bone tissue, while this study extends this research to human dental tissues using a novel quantitative analytical approach. Twelve tooth sections were burned at 400-900°C (30-min exposure, increments of 100°C). Subsequent combined small- and wide-angle X-ray scattering (SAXS/WAXS) experiments were performed at the Diamond Light Source synchrotron facility, where 28 scattering patterns were collected within each tooth section. In comparison with the control sample, an increase in mean crystal thickness was found in burned dentine (2.8-fold) and enamel (1.4-fold), however at a smaller rate than reported earlier for bone tissue (5-10.7-fold). The results provide a structural reference for traditional X-ray scattering methods and emphasize the need to investigate bone and dental tissues separately to obtain a reliable estimation of cremation temperature.

  11. On the possibility of using X-ray Compton scattering to study magnetoelectrical properties of crystals

    Energy Technology Data Exchange (ETDEWEB)

    Collins, S. P., E-mail: steve.collins@diamond.ac.uk; Laundy, D.; Connolley, T.; Laan, G. van der; Fabrizi, F. [Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot, OX11 0DE (United Kingdom); Janssen, O. [Department of Physics, New York University, New York, NY 10003 (United States); Cooper, M. J. [Department of Physics, University of Warwick, CV4 7AL (United Kingdom); Ebert, H.; Mankovsky, S. [Universität München, Department Chemie, Haus E2.033, Butenandtstrasse 5-13, D-81377 München (Germany)

    2016-02-16

    The possibility of using X-ray Compton scattering to reveal antisymmetric components of the electron momentum density, as a fingerprint of magnetoelectric sample properties, is investigated experimentally and theoretically by studying the polar ferromagnet GaFeO{sub 3}. This paper discusses the possibility of using Compton scattering – an inelastic X-ray scattering process that yields a projection of the electron momentum density – to probe magnetoelectrical properties. It is shown that an antisymmetric component of the momentum density is a unique fingerprint of such time- and parity-odd physics. It is argued that polar ferromagnets are ideal candidates to demonstrate this phenomenon and the first experimental results are shown, on a single-domain crystal of GaFeO{sub 3}. The measured antisymmetric Compton profile is very small (≃ 10{sup −5} of the symmetric part) and of the same order of magnitude as the statistical errors. Relativistic first-principles simulations of the antisymmetric Compton profile are presented and it is shown that, while the effect is indeed predicted by theory, and scales with the size of the valence spin–orbit interaction, its magnitude is significantly overestimated. The paper outlines some important constraints on the properties of the antisymmetric Compton profile arising from the underlying crystallographic symmetry of the sample.

  12. Physics of orbital degree of freedom - resonant X-ray scattering for observation of orbital ordering

    CERN Document Server

    Hirota, K

    2003-01-01

    Orbital degree of freedom plays very important roles in electric and magnetic properties in strongly correlated electron systems. The method for measurement of orbital ordering, however, has been limited so far. Recently it has been pointed out that the resonant X-ray scattering (RXS) technique is a very powerful tool to observe the ordering. In ths paper, the principle of RXS and the recent development are described after the general introduction of orbital degree of freedom. Finally the future in orbital physics will be discussed. (author)

  13. Integrative structural modeling with small angle X-ray scattering profiles

    Directory of Open Access Journals (Sweden)

    Schneidman-Duhovny Dina

    2012-07-01

    Full Text Available Abstract Recent technological advances enabled high-throughput collection of Small Angle X-ray Scattering (SAXS profiles of biological macromolecules. Thus, computational methods for integrating SAXS profiles into structural modeling are needed more than ever. Here, we review specifically the use of SAXS profiles for the structural modeling of proteins, nucleic acids, and their complexes. First, the approaches for computing theoretical SAXS profiles from structures are presented. Second, computational methods for predicting protein structures, dynamics of proteins in solution, and assembly structures are covered. Third, we discuss the use of SAXS profiles in integrative structure modeling approaches that depend simultaneously on several data types.

  14. Small and Wide Angle X-ray Scattering studies of biological macromolecules in solution.

    Science.gov (United States)

    Liu, Li; Boldon, Lauren; Urquhart, Melissa; Wang, Xiangyu

    2013-01-08

    In this paper, Small and Wide Angle X-ray Scattering (SWAXS) analysis of macromolecules is demonstrated through experimentation. SWAXS is a technique where X-rays are elastically scattered by an inhomogeneous sample in the nm-range at small angles (typically 0.1 - 5°) and wide angles (typically > 5°). This technique provides information about the shape, size, and distribution of macromolecules, characteristic distances of partially ordered materials, pore sizes, and surface-to-volume ratio. Small Angle X-ray Scattering (SAXS) is capable of delivering structural information of macromolecules between 1 and 200 nm, whereas Wide Angle X-ray Scattering (WAXS) can resolve even smaller Bragg spacing of samples between 0.33 nm and 0.49 nm based on the specific system setup and detector. The spacing is determined from Bragg's law and is dependent on the wavelength and incident angle. In a SWAXS experiment, the materials can be solid or liquid and may contain solid, liquid or gaseous domains (so-called particles) of the same or another material in any combination. SWAXS applications are very broad and include colloids of all types: metals, composites, cement, oil, polymers, plastics, proteins, foods, and pharmaceuticals. For solid samples, the thickness is limited to approximately 5 mm. Usage of a lab-based SWAXS instrument is detailed in this paper. With the available software (e.g., GNOM-ATSAS 2.3 package by D. Svergun EMBL-Hamburg and EasySWAXS software) for the SWAXS system, an experiment can be conducted to determine certain parameters of interest for the given sample. One example of a biological macromolecule experiment is the analysis of 2 wt% lysozyme in a water-based aqueous buffer which can be chosen and prepared through numerous methods. The preparation of the sample follows the guidelines below in the Preparation of the Sample section. Through SWAXS experimentation, important structural parameters of lysozyme, e.g. the radius of gyration, can be analyzed.

  15. Malnutrition and myelin structure: an X-ray scattering study of rat sciatic and optic nerves

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, V.; Vargas, R.; Marquez, G.; Vonasek, E.; Mateu, L. [Dept. de Biologia Estructural, Caracas (Venezuela); Luzzati, V. [Centre de Genetique Moleculaire, CNRS, Gif-sur-Yvette (France); Borges, J. [Servicio de Neurologia, Universidad Central de Venezuela, Caracas (Venezuela)

    2000-07-01

    Taking advantage of the fast and accurate X-ray scattering techniques recently developed in our laboratory, we tackled the study of the structural alterations induced in myelin by malnutrition. Our work was performed on sciatic and optic nerves dissected from rats fed with either a normal or a low-protein caloric diet, as a function of age (from birth to 60 days). By way of electrophysiological controls we also measured (on the sciatic nerves) the height and velocity of the compound action potential. Malnutrition was found to decrease the amount of myelin and to impair the packing order of the membranes in the sheaths. (orig.)

  16. High Resolution X-Ray and Light Scattering Studies of Bilayer Smectic A Compounds

    DEFF Research Database (Denmark)

    Litster, J. D.; Als-Nielsen, Jens Aage; Birgeneau, R. J.;

    1979-01-01

    We summarize the results of high resolution X-ray and light scattering studies of the smectic A-nematic transition in cyanobenzylidene-octyloxyaniline, octyloxy-cyanobiphenyl, and octyl-cyanobiphenyl. Pretransitional behavior in the nematic phase is essentially consistent with the He4 analogue pr...... proposed by de Gennes with subtle effects arising from the lack of true long range order in the smectic phase. Elastic constants in the smectic phase show anomalous behavior probably associated with the logarithmically divergent phase fluctuations....

  17. Inelastic X-ray scattering measurement of electronic order in Bi2212

    Science.gov (United States)

    Bonnoit, Craig; Gardner, Dillong; Said, Ayman; Gu, Genda; Tranquada, John; Lee, Young

    2013-03-01

    We present inelastic x-ray scattering measurements on superconducting Bi2212, showing evidence for a phonon anomaly associated with an underlying electronic density-wave state. We observe an broadening of the longitudinal acoustic phonon at a wavevector comparable to the antinodal nesting wavevector, near (1/4,1/4,0) in orthorhombic notation. An observed asymmetry between phonon creation and annihilation processes indicates breaking of time reversal and inversion symmetry as temperature is lowered. These measurements are consistent with prior work on single layer Bi2201, indicating universality of these features in the family of Bi-based high-Tc materials.

  18. Novel rhenium gasket design for nuclear resonant inelastic x-ray scattering at high pressure.

    Science.gov (United States)

    Tanis, Elizabeth A; Giefers, Hubertus; Nicol, Malcolm F

    2008-02-01

    For the first time, a highly absorbing element, rhenium, has been proven to be a strong, reliable, and safe gasket material for achieving high pressure in nuclear resonant inelastic x-ray scattering (NRIXS) experiments. Rhenium foil was cut into rectangular slices and in order to reduce absorption, the elevated imprint due to preindenting of the gasket is removed using electrical discharge machining. By utilizing this novel gasket design, transmission losses were mitigated while performing NRIXS experiments conducted on the 119Sn and 57Fe Mössbauer isotopes.

  19. Characteristics of AOT Microemulsion Structure: a Small Angle X-ray Scattering Study

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The method of synchrotron radiation small-angle X-ray scattering (SR-SAXS) has been used to obtain structural ;nformation on the system of bis2(2-ethylhexyl) sulfosuccinate (AOT)/ H2O/isooctane. By using the Guinier plot (Ln I (q) versus q ) on the data sets in a defined small q range (0.03-0.06A-), the gyration radius at different water/surfactant molar ratio, W0, was obtained. With the increase of W0, the gyration radius (Rg) increased at the range of 23.2~52.7 A.

  20. Correlative Light and Scanning X-Ray Scattering Microscopy of Healthy and Pathologic Human Bone Sections

    Science.gov (United States)

    Giannini, C.; Siliqi, D.; Bunk, O.; Beraudi, A.; Ladisa, M.; Altamura, D.; Stea, S.; Baruffaldi, F.

    2012-01-01

    Scanning small and wide angle X-ray scattering (scanning SWAXS) experiments were performed on healthy and pathologic human bone sections. Via crystallographic tools the data were transformed into quantitative images and as such compared with circularly polarized light (CPL) microscopy images. SWAXS and CPL images allowed extracting information of the mineral nanocrystalline phase embedded, with and without preferred orientation, in the collagen fibrils, mapping local changes at sub-osteon resolution. This favorable combination has been applied for the first time to biopsies of dwarfism syndrome and Paget's disease to shed light onto the cortical structure of natural bone in healthy and pathologic sections. PMID:22666538

  1. X-ray scattering study of the Ge(001):Te(1x1) surface structure

    Energy Technology Data Exchange (ETDEWEB)

    Sakata, Osami [Department of Materials Science and Engineering and Materials Research Center, Northwestern University, Evanston, Illinois 60208 (United States); Lyman, P. F. [Department of Physics, University of Wisconsin-Milwaukee, Wisconsin, 53201 (United States); Tinkham, B. P. [Department of Materials Science and Engineering and Materials Research Center, Northwestern University, Evanston, Illinois 60208 (United States); Walko, D. A. [Department of Materials Science and Engineering and Materials Research Center, Northwestern University, Evanston, Illinois 60208 (United States); Marasco, D. L. [Department of Physics and Astronomy and Materials Research Center, Northwestern University, Evanston, Illinois 60208 (United States); Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Lee, T.-L. [Department of Materials Science and Engineering and Materials Research Center, Northwestern University, Evanston, Illinois 60208 (United States); Bedzyk, M. J. [Department of Materials Science and Engineering and Materials Research Center, Northwestern University, Evanston, Illinois 60208 (United States)

    2000-06-15

    The 1x1 surface structure of Te adsorbed on Ge(001) was studied by analyzing the x-ray scattered intensity along several surface crystal truncation rods (CTR). The results were compared to simulations corresponding to the bridge, top, antibridge, and hollow site models. Te at the bridge site was in best agreement. More complex surface models based on modifications of Te at the bridge site were then compared to the data with the missing-row model being in better agreement than the zigzag model. Finally, the CTR data were used to refine the structural parameters of the missing row model. (c) 2000 The American Physical Society.

  2. Report on a round-robin study of diffuse X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Ohshima, K.; Harada, J.; Morinaga, M.; Georgopoulos, P.; Cohen, J.B.

    1986-06-01

    The diffuse scattering in a volume in reciprocal space from NbCsub(0.72) was measured on an absolute scale at two synchrotron sources (in the US and in Japan) and with a high-intensity rotating-anode source (in Japan). The shape and actual absolute intensities agreed to a few percent. Special problems associated with such measurements at a synchrotron are noted, especially with an insertion device. The high resolution possible at such sources reduces the need for an evacuated sample chamber. Detailed measurements can be completed in 1-2 d, making such studies much more accessible than is possible with sealed-tube X-ray generation.

  3. Facilitating model reconstruction for single-particle scattering using small-angle X-ray scattering methods.

    Science.gov (United States)

    Ma, Shufen; Liu, Haiguang

    2016-04-01

    X-ray free-electron lasers generate intense femtosecond X-ray pulses, so that high-resolution structure determination becomes feasible from noncrystalline samples, such as single particles or single molecules. At the moment, the orientation of sample particles cannot be precisely controlled, and consequently the unknown orientation needs to be recovered using computational algorithms. This delays the model reconstruction until all the scattering patterns have been re-oriented, which often entails a long elapse of time and until the completion of the experiment. The scattering patterns from single particles or multiple particles can be summed to form a virtual powder diffraction pattern, and the low-resolution region, corresponding to the small-angle X-ray scattering (SAXS) regime, can be analysed using existing SAXS methods. This work presents a pipeline that converts single-particle data sets into SAXS data, from which real-time model reconstruction is achieved using the model retrieval approach implemented in the software package SASTBX [Liu, Hexemer & Zwart (2012). J. Appl. Cryst.45, 587-593]. To illustrate the applications, two case studies are presented with real experimental data sets collected at the Linac Coherent Light Source.

  4. Recent investigations of silk fibers utilizing x-ray scattering and atomic force microscopy

    Science.gov (United States)

    Miller, Lance D.

    1998-12-01

    Silks from the mulberry silkworm, Bombyx mori, and the golden-orb spider, Nephila clavipes, are materials that possess respectable properties. Even pitted against the high performance fibers of Kevlar, polyethylene, and carbon, the advantages of some of nature's fibers are clear. The tensile strength of the golden-orb spider dragline is of the same order of magnitude as many synthetic fibers, yet the dragline's compressive strength as a percentage of its tensile strength is greater. The spider's ampullate glands, responsible for the manufacture of the dragline, also excel. The spider spins its fiber from a liquid crystalline solution that is water based versus the solutions at high temperatures containing volatile solvents that are required for current synthetic fibers. Understanding the morphology of silks will provide the basis for improved manufacturing and better performing synthetic fibers. The studies presented here have centered on the use of small-angle x-ray scattering, SAXS, to describe the large-scale morphology of silk fibers. We have determined minimum scattering dimensions on the order of 150-300 nm. A detailed analysis of the Porod scattering region has revealed correlation lengths of the same magnitude. Both of these dimensions are similar to with direct atomic force microscopy, AFM, measurements of nanofibers found in samples of abraded or peeled silk. The incorporation of discrete Fourier transform theory and AFM topographic information has yielded results in general agreement with measured SAXS patterns. This incorporation allows the materials scientist a way of visualizing the relationship between a material and its resulting scattering function. We have also found that x-ray scattering gives insight to new periodic distances of the morphology of golden-orb dragline. All of these studies yield a more complete view of the silk morphology and give a new method of model building from scattering experiments.

  5. Derivation of factors for estimating the scatter of diagnostic x-rays from walls and ceiling slabs.

    Science.gov (United States)

    Martin, C J; Sutton, D G; Magee, J; McVey, S; Williams, J R; Peet, D

    2012-12-01

    Computed tomography (CT) scanning rooms and interventional x-ray facilities with heavy workloads may require the installation of shielding to protect against radiation scattered from walls or ceiling slabs. This is particularly important for the protection of those operating x-ray equipment from within control cubicles who may be exposed to radiation scattered from the ceiling over the top of the protective barrier and round the side if a cubicle door is not included. Data available on the magnitude of this tertiary scatter from concrete slabs are limited. Moreover, there is no way in which tertiary scatter levels can be estimated easily for specific facilities. There is a need for a suitable method for quantification of tertiary scatter because of the increases in workloads of complex x-ray facilities. In this study diagnostic x-ray air kerma levels scattered from concrete and brick walls have been measured to verify scatter factors. The results have been used in a simulation of tertiary scatter for x-ray facilities involving summation of scatter contributions from elements across concrete ceiling slabs. The majority of the ceiling scatter air kerma to which staff behind a barrier will be exposed arises from the area between the patient/x-ray tube and the staff. The level depends primarily on the heights of the ceiling and protective barrier. A method has been developed to allow tertiary scatter levels to be calculated using a simple equation based on a standard arrangement for rooms with different ceiling and barrier heights. Coefficients have been derived for a CT facility and an interventional suite to predict tertiary scatter levels from the workload, so that consideration can be given to the protection options available.

  6. Human breast cancer in vitro: matching histo-pathology with small-angle x-ray scattering and diffraction enhanced x-ray imaging

    Science.gov (United States)

    Fernández, Manuel; Keyriläinen, Jani; Serimaa, Ritva; Torkkeli, Mika; Karjalainen-Lindsberg, Marja-Liisa; Leidenius, Marjut; von Smitten, Karl; Tenhunen, Mikko; Fiedler, Stefan; Bravin, Alberto; Weiss, Thomas M.; Suortti, Pekka

    2005-07-01

    Twenty-eight human breast tumour specimens were studied with small-angle x-ray scattering (SAXS), and 10 of those were imaged by the diffraction enhanced x-ray imaging (DEI) technique. The sample diameter was 20 mm and the thickness 1 mm. Two examples of ductal carcinoma are illustrated by histology images, DEI, and maps of the collagen d-spacing and scattered intensity in the Porod regime, which characterize the SAXS patterns from collagen-rich regions of the samples. Histo-pathology reveals the cancer-invaded regions, and the maps of the SAXS parameters show that in these regions the scattering signal differs significantly from scattering by the surrounding tissue, indicating a degradation of the collagen structure in the invaded regions. The DEI images show the borders between collagen and adipose tissue and provide a co-ordinate system for tissue mapping by SAXS. In addition, degradation of the collagen structure in an invaded region is revealed by fading contrast of the DEI refraction image. The 28 samples include fresh, defrosted tissue and formalin-fixed tissue. The d-values with their standard deviations are given. In the fresh samples there is a systematic 0.76% increase of the d-value in the invaded regions, averaged over 11 samples. Only intra-sample comparisons are made for the formalin-fixed samples, and with a long fixation time, the difference in the d-value stabilizes at about 0.7%. The correspondence between the DEI images, the SAXS maps and the histo-pathology suggests that definitive information on tumour growth and malignancy is obtained by combining these x-ray methods.

  7. X-Raying the Dark Side of Venus—Scatter from Venus’ Magnetotail?

    Science.gov (United States)

    Afshari, M.; Peres, G.; Jibben, P. R.; Petralia, A.; Reale, F.; Weber, M.

    2016-10-01

    We analyze significant X-ray, EUV, and UV emission coming from the dark side of Venus observed with Hinode/XRT and Solar Dynamics Observatory/Atmospheric Imaging Assembly (SDO/AIA) during a transit across the solar disk that occurred in 2012. As a check we have analyzed an analogous Mercury transit that occurred in 2006. We have used the latest version of the Hinode/XRT point spread function to deconvolve Venus and Mercury X-ray images, to remove instrumental scattering. After deconvolution, the flux from Venus’ shadow remains significant while that of Mercury becomes negligible. Since stray light contamination affects the XRT Ti-poly filter data we use, we performed the same analysis with XRT Al-mesh filter data, not affected by the light leak. Even the latter data show residual flux. We have also found significant EUV (304 Å, 193 Å, 335 Å) and UV (1700 Å) flux in Venus’ shadow, measured with SDO/AIA. The EUV emission from Venus’ dark side is reduced, but still significant, when deconvolution is applied. The light curves of the average flux of the shadow in the X-ray, EUV, and UV bands appear different as Venus crosses the solar disk, but in any of them the flux is, at any time, approximately proportional to the average flux in a ring surrounding Venus, and therefore proportional to that of the solar regions around Venus’ obscuring disk line of sight. The proportionality factor depends on the band. This phenomenon has no clear origin; we suggest that it may be due to scatter occurring in the very long magnetotail of Venus.

  8. Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations

    Science.gov (United States)

    Mei, A. B.; Hellman, O.; Schlepütz, C. M.; Rockett, A.; Chiang, T.-C.; Hultman, L.; Petrov, I.; Greene, J. E.

    2015-11-01

    Synchrotron reflection x-ray thermal diffuse scattering (TDS) measurements, rather than previously reported transmission TDS, are carried out at room temperature and analyzed using a formalism based upon second-order interatomic force constants and long-range Coulomb interactions to obtain quantitative determinations of MgO phonon dispersion relations ℏ ωj (q), phonon densities of states g (ℏ ω ), and isochoric temperature-dependent vibrational heat capacities cv(T ) . We use MgO as a model system for investigating reflection TDS due to its harmonic behavior as well as its mechanical and dynamic stability. Resulting phonon dispersion relations and densities of states are found to be in good agreement with independent reports from inelastic neutron and x-ray scattering experiments. Temperature-dependent isochoric heat capacities cv(T ) , computed within the harmonic approximation from ℏ ωj (q) values, increase with temperature from 0.4 ×10-4eV /atom K at 100 K to 1.4 ×10-4eV /atom K at 200 K and 1.9 ×10-4eV /atom K at 300 K, in excellent agreement with isobaric heat capacity values cp(T ) between 4 and 300 K. We anticipate that the experimental approach developed here will be valuable for determining vibrational properties of heteroepitaxial thin films since the use of grazing-incidence (θ ≲θc , where θc is the density-dependent critical angle) allows selective tuning of x-ray penetration depths to ≲10 nm .

  9. Small angle neutron scattering and small angle X-ray scattering studies of platinum-loaded carbon foams

    Indian Academy of Sciences (India)

    P U Sastry; V K Aswal; A G Wagh

    2008-11-01

    The morphology of carbon nanofoam samples comprising platinum nanoparticles dispersed in the matrix was characterized by small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS) techniques. Results show that the structure of pores of carbon matrix exhibits a mass (pore) fractal nature and the average radius of the platinum particles is about 2.5 nm. The fractal dimension as well as the size distribution parameters of platinum particles varies markedly with the platinum content and annealing temperature. Transmission electron micrographs of the samples corroborate the SANS and SAXS results.

  10. An apparatus for in situ x-ray scattering measurements during polymer injection molding.

    Science.gov (United States)

    Rendon, Stanley; Fang, Jun; Burghardt, Wesley R; Bubeck, Robert A

    2009-04-01

    We report a novel instrument for synchrotron-based in situ x-ray scattering measurements during injection molding processing. It allows direct, real-time monitoring of molecular-scale structural evolution in polymer materials undergoing a complex processing operation. The instrument is based on a laboratory-scale injection molding machine, and employs customized mold tools designed to allow x-ray access during mold filling and subsequent solidification, while providing sufficient robustness to withstand high injection pressures. The use of high energy, high flux synchrotron radiation, and a fast detector allows sufficiently rapid data acquisition to resolve time-dependent orientation dynamics in this transient process. Simultaneous monitoring of temperature and pressure signals allows transient scattering data to be referenced to various stages of the injection molding cycle. Representative data on a commercial liquid crystalline polymer, Vectra(R) B950, are presented to demonstrate the features of this apparatus; however, it may find application in a wide range of polymeric materials such as nanocomposites, semicrystalline polymers and fiber-reinforced thermoplastics.

  11. Quantitative spectromicroscopy from inelastically scattered photoelectrons in the hard X-ray range

    Energy Technology Data Exchange (ETDEWEB)

    Renault, O., E-mail: olivier.renault@cea.fr; Zborowski, C.; Risterucci, P. [Univ. Grenoble Alpes, F-38000 Grenoble, France and CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Wiemann, C.; Schneider, C. M. [Peter Grünberg Institute (PGI-6) and JARA-FIT, Research Center Jülich, D-52425 Jülich (Germany); Grenet, G. [Institut des Nanotechnologies de Lyon, Ecole Centrale, 69134 Ecully Cedex (France); Tougaard, S. [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M (Denmark)

    2016-07-04

    We demonstrate quantitative, highly bulk-sensitive x-ray photoelectron emission microscopy by analysis of inelastically scattered photoelectrons in the hard X-ray range, enabling elemental depth distribution analysis in deeply buried layers. We show results on patterned structures used in electrical testing of high electron mobility power transistor devices with an epitaxial Al{sub 0.25}Ga{sub 0.75}N channel and a Ti/Al metal contact. From the image series taken over an energy range of up to 120 eV in the Ti 1s loss feature region and over a typical 100 μm field of view, one can accurately retrieve, using background analysis together with an optimized scattering cross-section, the Ti depth distribution from 14 nm up to 25 nm below the surface. The method paves the way to multi-elemental, bulk-sensitive 3D imaging and investigation of phenomena at deeply buried interfaces and microscopic scales by photoemission.

  12. Discovering New Features of Protein Complexes Structures by Small-Angle X-Ray Scattering

    Science.gov (United States)

    Oliveira, C. L. P.; Vorup-Jensen, T.; Andersen, C. B. F.; Andersen, G. R.; Pedersen, J. S.

    In spite of the recent advances in the X-Ray crystallography and nuclear magnetic resonance techniques, the determination of the quaternary structure of large protein complexes is still a challenge in molecular biology and biological sciences. In this respect, small-angle X-ray scattering (SAXS) is a key technique, enabling the determination of the possible structural conformation of complexes in an almost native state. Despite of this book being devoted to scattering techniques by synchrotron radiation, in this chapter we present two examples of application of laboratory-based SAXS to protein solution. The fundaments of the technique are obviously the same and have been deeply described in Chap. 2. In this chapter, we will introduce the application of SAXS to protein solution. Special emphasis is done on data reduction and absolute units calibration. As an example to illustrate the power of this technique, two new data sets for two protein complexes will be presented. This will show how high-quality SAXS data combined with advanced model strategies enables the determination of the quaternary structure of protein complexes.

  13. Particle-scale structure in frozen colloidal suspensions from small-angle x-ray scattering

    KAUST Repository

    Spannuth, Melissa

    2011-02-01

    During directional solidification of the solvent in a colloidal suspension, the colloidal particles segregate from the growing solid, forming high-particle-density regions with structure on a hierarchy of length scales ranging from that of the particle-scale packing to the large-scale spacing between these regions. Previous work has concentrated mostly on the medium- to large-length scale structure, as it is the most accessible and thought to be more technologically relevant. However, the packing of the colloids at the particle scale is an important component not only in theoretical descriptions of the segregation process, but also to the utility of freeze-cast materials for new applications. Here we present the results of experiments in which we investigated this structure across a wide range of length scales using a combination of small-angle x-ray scattering and direct optical imaging. As expected, during freezing the particles were concentrated into regions between ice dendrites forming a microscopic pattern of high- and low-particle-density regions. X-ray scattering indicates that the particles in the high-density regions were so closely packed as to be touching. However, the arrangement of the particles does not conform to that predicted by standard interparticle pair potentials, suggesting that the particle packing induced by freezing differs from that formed during equilibrium densification processes. © 2011 American Physical Society.

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

    Science.gov (United States)

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

    2009-11-01

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

  15. Quantitative spectromicroscopy from inelastically scattered photoelectrons in the hard X-ray range

    Science.gov (United States)

    Renault, O.; Zborowski, C.; Risterucci, P.; Wiemann, C.; Grenet, G.; Schneider, C. M.; Tougaard, S.

    2016-07-01

    We demonstrate quantitative, highly bulk-sensitive x-ray photoelectron emission microscopy by analysis of inelastically scattered photoelectrons in the hard X-ray range, enabling elemental depth distribution analysis in deeply buried layers. We show results on patterned structures used in electrical testing of high electron mobility power transistor devices with an epitaxial Al0.25Ga0.75N channel and a Ti/Al metal contact. From the image series taken over an energy range of up to 120 eV in the Ti 1s loss feature region and over a typical 100 μm field of view, one can accurately retrieve, using background analysis together with an optimized scattering cross-section, the Ti depth distribution from 14 nm up to 25 nm below the surface. The method paves the way to multi-elemental, bulk-sensitive 3D imaging and investigation of phenomena at deeply buried interfaces and microscopic scales by photoemission.

  16. A double area detector system for simultaneous small and wide-angle X-ray scattering

    CERN Document Server

    Pokric, B; Ryan, A J; Fairclough, P; Dobson, B R; Derbyshire, G E; Helsby, W; Long, G; Moon, K

    2002-01-01

    A novel area detector has been designed for material science SR studies, capable of simultaneously collecting the diffraction data in two angular regimes. The detector for collecting wide-angle X-ray scattering (WAXS) data consists of four taper-coupled CCDs arranged as a 2x2 mosaic with a central aperture about 40 mm in diameter, so permitting the inclusion of a distant on-axis CCD detector for small-angle X-ray scattering (SAXS). The distance of the SAXS detector from the sample can be varied over the range 0.27 m to about 2 m. The overall aperture of WAXS detector is approximately 200x200 mm sup 2 allowing the measurement of the diffraction patterns from 5 deg. to 45 deg. with an average angular resolution of 0.05 deg. The parallax error for large angles is substantially reduced as the individual WAXS CCDs are tilted towards the specimen location. Both WAXS and SAXS diffraction data are simultaneously collected at 30 MB/s data rate, which is equivalent to 6 complete frames per second. Each pixel value is d...

  17. Small-angle x-ray scattering study on the structure of microcrystalline and nanofibrillated cellulose

    Energy Technology Data Exchange (ETDEWEB)

    Leppaenen, Kirsi; Pirkkalainen, Kari; Penttilae, Paavo; Serimaa, Ritva [Division of Materials Physics, Department of Physics, P.O.B. 64, FI-00014 University of Helsinki (Finland); Sievaenen, Jenni [VTT, Espoo (Finland); Kotelnikova, Nina, E-mail: kirsi.leppanen@helsinki.f [Institute of Macromolecular Compounds, Russian Academy of Sciences, Bolshoy pr. 31, St. Petersburg 199004 (Russian Federation)

    2010-10-01

    The effects of different solvents on the structure of microcrystalline and nanofibrillated cellulose (MCC, NFC) were studied using small-angle x-ray scattering (SAXS). MCC was immersed in water, ethanol, and acetone, and NFC was immersed only in water and ethanol, but studied also in the form of foam-like water-NFC-gel in wet, air-dried and re-wet states. The solvent affected the average chord length, which reveals the typical length scale of the structure of the sample: 2.4 {+-} 0.1 nm was obtained for MCC-water, 2.5 {+-} 0.1 nm for re-wet NFC-gel, 1.6 {+-} 0.1 nm for MCC-ethanol, 1.2 {+-} 0.1 nm for NFC-ethanol, and 1.3 {+-} 0.1 nm for MCC-acetone. The specific surface of cellulose increased strongly when MCC and NFC were immersed in the solvents compared to dry cellulose. The specific surface of cellulose was determined to be larger for NFC-water than MCC-water, and slightly larger for dry NFC powder than for dry MCC, which can be explained by the fact that the width of cellulose crystallites perpendicular to the cellulose chain direction was slightly larger in MCC than in NFC on the basis of wide-angle x-ray scattering results.

  18. Quantitative characterization of fatty liver disease using x-ray scattering

    Science.gov (United States)

    Elsharkawy, Wafaa B.; Elshemey, Wael M.

    2013-11-01

    Nonalcoholic fatty liver disease (NAFLD) is a dynamic condition in which fat abnormally accumulates within the hepatocytes. It is believed to be a marker of risk of later chronic liver diseases, such as liver cirrhosis and carcinoma. The fat content in liver biopsies determines its validity for liver transplantation. Transplantation of livers with severe NAFLD is associated with a high risk of primary non-function. Moreover, NAFLD is recognized as a clinically important feature that influences patient morbidity and mortality after hepatic resection. Unfortunately, there is a lack in a precise, reliable and reproducible method for quantification of NAFLD. This work suggests a method for the quantification of NAFLD. The method is based on the fact that fatty liver tissue would have a characteristic x-ray scattering profile with a relatively intense fat peak at a momentum transfer value of 1.1 nm-1 compared to a soft tissue peak at 1.6 nm-1. The fat content in normal and fatty liver is plotted against three profile characterization parameters (ratio of peak intensities, ratio of area under peaks and ratio of area under fat peak to total profile area) for measured and Monte Carlo simulated x-ray scattering profiles. Results show a high linear dependence (R2>0.9) of the characterization parameters on the liver fat content with a reported high correlation coefficient (>0.9) between measured and simulated data. These results indicate that the current method probably offers reliable quantification of fatty liver disease.

  19. Liquid X-ray scattering with a pink-spectrum undulator.

    Science.gov (United States)

    Bratos, S; Leicknam, J-Cl; Wulff, M; Khakhulin, D

    2014-01-01

    X-ray scattering from a liquid using the spectrum from the undulator fundamental is examined as a function of the bandwidth of the spectrum. The synchrotron-generated X-ray spectrum from an undulator is 'pink', i.e. quasi-monochromatic but having a saw-tooth-shaped spectrum with a bandwidth from 1 to 15%. It is shown that features in S(q) are slightly shifted and dampened compared with strictly monochromatic data. In return, the gain in intensity is 250-500 which makes pink beams very important for time-resolved experiments. The undulator spectrum is described by a single exponential with a low-energy tail. The tail shifts features in the scattering function towards high angles and generates a small reduction in amplitude. The theoretical conclusions are compared with experiments. The r-resolved Fourier transformed signals are discussed next. Passing from q- to r-space requires a sin-Fourier transform. The Warren convergence factor is introduced in this calculation to suppress oscillatory artifacts from the finite qM in the data. It is shown that the deformation of r-resolved signals from the pink spectrum is small compared with that due to the Warren factor. The q-resolved and the r-resolved pink signals thus behave very differently.

  20. A small-angle x-ray scattering system with a vertical layout.

    Science.gov (United States)

    Wang, Zhen; Chen, Xiaowei; Meng, Lingpu; Cui, Kunpeng; Wu, Lihui; Li, Liangbin

    2014-12-01

    A small-angle x-ray scattering (SAXS) system with a vertical layout (V-SAXS) has been designed and constructed for in situ detection on nanostructures, which is well suitable for in situ study on self-assembly of nanoparticles at liquid interface and polymer processing. A steel-tower frame on a reinforced basement is built as the supporting skeleton for scattering beam path and detector platform, ensuring the system a high working stability and a high operating accuracy. A micro-focus x-ray source combining parabolic three-dimensional multi-layer mirror and scatteringless collimation system provides a highly parallel beam, which allows us to detect the very small angle range. With a sample-to-detector distance of 7 m, the largest measurable length scale is 420 nm in real space. With a large sample zone, it is possible to install different experimental setups such as film stretching machine, which makes the system perfect to follow the microstructures evolution of materials during processing. The capability of the V-SAXS on in situ study is tested with a drying experiment of a free latex droplet, which confirms our initial design.

  1. Quantitative evaluation of bone-mineral density loss using X-ray coherent scattering

    Science.gov (United States)

    Barroso, Regina Cély; Oliveira, Luis Fernando; Castro, Carlos Roberto Ferreira; Lima, João Carlos; Braz, Delson; Lopes, Ricardo Tadeu; Droppa, Roosevel; Tromba, Giuliana; Mancini, Lucia; Zanini, Franco; Rigon, Luigi; Dreossi, Diego

    2007-08-01

    In this work, we intend to relate the mineral to non-mineral bone scattering intensity ratio with the bone-mineral density (BMD) reduction. In this way, EDXRD can be a novel technique to measure BMD loss in function of the mineral and non-mineral scattering intensity. The scattering profiles were obtained at Laboratório Nacional de Luz Síncrotron (LNLS) at the X-ray diffraction beamline XD2. A double-crystal Si(1 1 1) pre-monochromator, upstream of the beamline, was used to select a small energy bandwidth (Δ λ/ λ≈10 -4) at 11 keV. The sample holder has a circle depression in the center to contain a range of bone and fat mixture ratios. The mixture consists of powdered cortical bone and fat, which together simulate in vivo bone. The diffraction patterns were carried out with 0.5 mm slits after and behind of the sample holder. The data were collected in 0.05° increments every 0.5 s. EDXRD results show an indication of different bone densities may be distinguished which suggested that X-ray coherent scattering technique may have a role in monitoring changes in BMD via changes in the related scattering intensity of mineral and non-mineral bone. The main aim of the Synchrotron Radiation for MEdical Physics (SYRMEP) project at the ELETTRA is the investigation and the development of innovative techniques for medical imaging. The beamline provides, at a distance of about 23 m from the source, a monochromatic, laminar section X-ray beam with a maximum area of about 160×5 mm 2 at 20 keV. The monochromator, that covers the entire angular acceptance of the beamline, is based on a double-Si (1 1 1) crystal system working in Bragg configuration. A micrometric vertical and horizontal translation stage allows the positioning and scanning of the sample with respect to the stationary beam. In this case, the detector is kept stationary in front of the beam, while the object is rotated in discrete steps in front of it. At each rotation, a projection is acquired. A goniometric

  2. A Simple X-ray Spectrometer and PC-based Data Acquisition System for Newly Developed X-ray Source Based on Laser Compton Scattering

    Institute of Scientific and Technical Information of China (English)

    LUO Wen; XU Wang; PAN Qiang-yan; XU Yi; FAN Gong-tao; FAN Guang-wei; YANG Li-feng; LI Yong-jiang; YAN Zhe; XU Ben-ji

    2009-01-01

    A simple X-ray spectrometer and a PC-Based Data Acquisition System(DAS) have been developed newly in Shanghai Institute of Applied Physics(SINAP),Chinese Academy of Sciences (CAS) for the measurement of the X-ray source generated using laser Compton scattering.The system consists of liquid nitrogen cooled high resolution Si(Li) detector,electronics and a DAQ.The Si(Li) detector was designed and made by Center of Advanced Instruments in SINAP,CAS,it allows us to measure X-rays with the energy up to 60 keV and the energy resolution(FWHM) of 184 eV at 5.9 keV.We measured the system uncertainty was 0.2 eV and time drifting of detector was 0.05% both at 5.9 keV.The DAQ was based on Object-Oriented software LabVIEW 7.1,it has data on-line analysis and original data saved functions.

  3. Ultra-high-resolution inelastic X-ray scattering at high-repetition-rate self-seeded X-ray free-electron lasers.

    Science.gov (United States)

    Chubar, Oleg; Geloni, Gianluca; Kocharyan, Vitali; Madsen, Anders; Saldin, Evgeni; Serkez, Svitozar; Shvyd'ko, Yuri; Sutter, John

    2016-03-01

    Inelastic X-ray scattering (IXS) is an important tool for studies of equilibrium dynamics in condensed matter. A new spectrometer recently proposed for ultra-high-resolution IXS (UHRIX) has achieved 0.6 meV and 0.25 nm(-1) spectral and momentum-transfer resolutions, respectively. However, further improvements down to 0.1 meV and 0.02 nm(-1) are required to close the gap in energy-momentum space between high- and low-frequency probes. It is shown that this goal can be achieved by further optimizing the X-ray optics and by increasing the spectral flux of the incident X-ray pulses. UHRIX performs best at energies from 5 to 10 keV, where a combination of self-seeding and undulator tapering at the SASE-2 beamline of the European XFEL promises up to a 100-fold increase in average spectral flux compared with nominal SASE pulses at saturation, or three orders of magnitude more than what is possible with storage-ring-based radiation sources. Wave-optics calculations show that about 7 × 10(12) photons s(-1) in a 90 µeV bandwidth can be achieved on the sample. This will provide unique new possibilities for dynamics studies by IXS.

  4. Ultra-high-resolution inelastic X-ray scattering at high-repetition-rate self-seeded X-ray free-electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Chubar, Oleg; Geloni, Gianluca; Kocharyan, Vitali; Madsen, Anders; Saldin, Evgeni; Serkez, Svitozar; Shvyd' ko, Yuri; Sutter, John

    2016-02-12

    Inelastic X-ray scattering (IXS) is an important tool for studies of equilibrium dynamics in condensed matter. A new spectrometer recently proposed for ultra-high-resolution IXS (UHRIX) has achieved 0.6 meV and 0.25 nm-1spectral and momentum-transfer resolutions, respectively. However, further improvements down to 0.1 meV and 0.02 nm-1 are required to close the gap in energy–momentum space between high- and low-frequency probes. It is shown that this goal can be achieved by further optimizing the X-ray optics and by increasing the spectral flux of the incident X-ray pulses. UHRIX performs best at energies from 5 to 10 keV, where a combination of self-seeding and undulator tapering at the SASE-2 beamline of the European XFEL promises up to a 100-fold increase in average spectral flux compared with nominal SASE pulses at saturation, or three orders of magnitude more than what is possible with storage-ring-based radiation sources. Wave-optics calculations show that about 7 × 1012 photons s-1 in a 90 µeV bandwidth can be achieved on the sample. This will provide unique new possibilities for dynamics studies by IXS.

  5. Novel opportunities for sub-meV inelastic X-ray scattering at high-repetition rate self-seeded X-ray free-electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Chubar, Oleg [Brookhaven National Laboratory, Upton, NY (United States). National Synchrotron Light Source II; Geloni, Gianluca; Madsen, Anders [European XFEL GmbH, Hamburg (Germany); Kocharyan, Vitali; Saldin, Evgeni; Serkez, Svitozar [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Shvyd' ko, Yuri [Argonne National Laboratory, IL (United States). Advanced Photon Source; Sutter, John [Diamond Light Source Ltd., Didcot (United Kingdom)

    2015-08-15

    Inelastic X-ray scattering (IXS) is an important tool for studies of equilibrium dynamics in condensed matter. A new spectrometer recently proposed for ultra-high-resolution IXS (UHRIX) has achieved 0.6 meV and 0.25 nm{sup -1} spectral and momentum transfer resolutions, respectively. However, further improvements down to 0.1 meV and 0.02 nm{sup -1} are required to close the gap in energy-momentum space between high and low frequency probes. We show that this goal can be achieved by further optimizing the X-ray optics and by increasing the spectral flux of the incident X-ray pulses. UHRIX performs best at energies from 5 to 10 keV, where a combination of self-seeding and undulator tapering at the SASE-2 beamline of the European XFEL promises up to a hundred-fold increase in average spectral flux compared with nominal SASE pulses at saturation, or three orders of magnitude more than possible with storage-ring based radiation sources. Wave-optics propagation shows that about 7 x 10{sup 12} ph/s in a 90-μeV bandwidth can be achieved on the sample. This will provide unique new possibilities for dynamics studies by IXS.

  6. Novel opportunities for sub-meV inelastic X-ray scattering at high-repetition rate self-seeded X-ray free-electron lasers

    CERN Document Server

    Chubar, Oleg; Kocharyan, Vitali; Madsen, Anders; Saldin, Evgeni; Serkez, Svitozar; Shvyd'ko, Yuri; Sutter, John

    2015-01-01

    Inelastic X-ray scattering (IXS) is an important tool for studies of equilibrium dynamics in condensed matter. A new spectrometer recently proposed for ultra-high-resolution IXS (UHRIX) has achieved 0.6~meV and 0.25~nm$^{-1}$ spectral and momentum transfer resolutions, respectively. However, further improvements down to 0.1~meV and 0.02~nm$^{-1}$ are required to close the gap in energy-momentum space between high and low frequency probes. We show that this goal can be achieved by further optimizing the X-ray optics and by increasing the spectral flux of the incident X-ray pulses. UHRIX performs best at energies from 5 to 10 keV, where a combination of self-seeding and undulator tapering at the SASE-2 beamline of the European XFEL promises up to a hundred-fold increase in average spectral flux compared with nominal SASE pulses at saturation, or three orders of magnitude more than possible with storage-ring based radiation sources. Wave-optics propagation shows that about $7\\times 10^{12}$~ph/s in a $90$-$\\mu$e...

  7. X-ray resonant exchange scattering of rare-earth nickel borocarbides

    Energy Technology Data Exchange (ETDEWEB)

    Detlefs, C.

    1997-10-08

    The purpose of this thesis is to investigate the systematics of the microscopic magnetic order within a series of isostructural compounds and, at the same, to develop the relatively young experimental method of x-ray resonant exchange scattering (XRES). In this thesis, the author presents XRES studies of several rare-earth nickel borocarbides, RNi{sub 2}B{sub 2}C. He shows that XRES, similar to the neutron techniques, allows the determination of the orientation of the magnetic moment by measuring the Q-dependence of the scattered intensity of magnetic Bragg reflections. As samples in this study, he chose the recently discovered family of rare-earth nickel borocarbides, RNi{sub 2}B{sub 2}C, which display a wide variety of magnetic structures. Furthermore, in several of these materials, long range magnetic order coexists with superconductivity over some temperature range.

  8. Diffuse X-ray scattering from partially transformed 3C-SiC single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dompoint, D., E-mail: deborah.dompoint@etu.unilim.fr [Science des Procedes Ceramiques et de Traitements de Surface (SPCTS), CNRS UMR 6638, Centre Europeen de la Ceramique, 12 rue atlantis, 87068 Limoges (France); Boulle, A. [Science des Procedes Ceramiques et de Traitements de Surface (SPCTS), CNRS UMR 6638, Centre Europeen de la Ceramique, 12 rue atlantis, 87068 Limoges (France); Galben-Sandulache, I.G.; Chaussende, D. [Laboratoire des Materiaux et du Genie Physique (LMGP), CNRS UMR 5628, Grenoble INP, Minatec, 3 parvis Louis Neel, BP 257, 38016 Grenoble Cedex 01 (France)

    2012-08-01

    The 3C-6H polytypic transition in 3C-SiC single crystals is studied by means of diffuse X-ray scattering (DXS) coupled with numerical simulations. It is shown that the presence of spatially correlated stacking faults (characteristic of this type of re-stacking transition) gives rise to extended diffuse scattering in the reciprocal space perpendicularly to the fault plane. The simulation of the diffuse intensity allows to determine both the volume fraction of transformed material and the transformation level within these regions. It is further shown that the evolution with time and temperature of the transition implies the multiplication and glide of partial dislocations, the kinetics of which are quantified by means of DXS.

  9. Solution X-ray scattering (S/WAXS) and structure formation in protein dynamics

    CERN Document Server

    Nasedkin, Alexandr; Niemi, Antti J; Peng, Xubiao

    2016-01-01

    We propose to develop mean field theory in combination with Glauber algorithm, to model and interpret protein dynamics and structure formation in small to wide angle x-ray scattering (S/WAXS) experiments. We develop the methodology by analysing the Engrailed homeodomain protein as an example. We demonstrate how to interpret S/WAXS data with a good precision and over an extended temperature range. We explain experimentally observed phenomena in terms of protein phase structure, and we make predictions for future experiments how the scattering data behaves at different ambient temperature values. We conclude that a combination of mean field theory with Glauber algorithm has the potential to develop into a highly accurate, computationally effective and predictive tool for analysing S/WAXS data. Finally, we compare our results with those obtained previously in an all-atom molecular dynamics simulation.

  10. Study of magnetic transitions in samarium using X-ray scattering

    CERN Document Server

    Stunault, A

    2001-01-01

    Extensive use has been made of synchrotron X-ray magnetic and charge scattering to study the temperature dependence of long range magnetic order in a samarium film and of the related magnetostrictive effects. Resonant magnetic scattering is shell selective and the behavior of the 4f and 5d electrons could be studied separately through the magnetic phase transitions, with the photon energy tuned close to the samarium L/sub 3/ absorption edge. Simultaneously, lattice distortions at the magnetic phase transitions have been evidenced by the study of strong charge reflections with sufficiently high resolution. Weak charge reflections are also present and are interpreted in terms of deviations of the hexagonal samarium planes from equidistant positions in the c-direction. (7 refs).

  11. Investigation of X-Ray Harmonics in the Polarized Nonlinear Inverse Compton Scattering Experiment at UCLA

    CERN Document Server

    Doyuran, Adnan; Joshi, Chandrashekhar; Lim, Jae; Rosenzweig, James E; Tochitsky, Sergei Ya; Travish, Gil; Williams, Oliver

    2005-01-01

    An Inverse Compton Scattering (ICS) experiment investigating the polarized harmonic production in the nonlinear regime has begun which will utilize the existing terawatt CO2 laser system and 15 MeV photoinjector in the Neptune Laboratory at UCLA. A major motivation for a source of high brightness polarized x-rays is the production of polarized positrons for use in future linear collider experiments. Analytical calculations have been performed to predict the angular and frequency spectrums for various polarizations and different scattering angles. Currently, the experiment is running and we report the set-up and initial results. The advantages and limitations of using a high laser vector potential, ao, in an ICS-based polarized positron source are expected to be revealed with further measurement of the harmonic spectrum and angular characteristics.

  12. Off-axis effects on the performance of a scattering polarimeter at the focus of an X-ray telescope

    Science.gov (United States)

    Elsner, R. F.; Weisskopf, M. C.; Kaaret, P.; Novick, R.; Silver, E.

    1990-01-01

    Scattering from bound electrons in a suitable material placed at the focus of an X-ray telescope can be exploited to measure the linear polarization of radiation emitted from cosmic X-ray sources. Among the factors that affect the performance of such an instrument is a spurious polarization signal from unpolarized sources that lie within the field of view but are offset from the telescope pointing direction. This paper presents the results of analytical and Monte Carlo studies of this effect and provides means of evaluating its impact on realistic polarimeters for X-ray astronomy.

  13. Guest–Host Interactions Investigated by Time-Resolved X-ray Spectroscopies and Scattering at MHz Rates

    DEFF Research Database (Denmark)

    Haldrup, Martin Kristoffer; Vanko, G.; Gawelda, W.

    2012-01-01

    We have studied the photoinduced low spin (LS) to high spin (HS) conversion of [Fe(bipy)3]2+ in aqueous solution. In a laser pump/X-ray probe synchrotron setup permitting simultaneous, time-resolved X-ray diffuse scattering (XDS) and X-ray spectroscopic measurements at a 3.26 MHz repetition rate...... lifetime, allowing the detection of an ultrafast change in bulk solvent density. An analysis approach directly utilizing the spectroscopic data in the XDS analysis effectively reduces the number of free parameters, and both combined permit extraction of information about the ultrafast structural dynamics...

  14. Crystal structure and tautomerism of Pigment Yellow 138 determined by X-ray powder diffraction and solid-state NMR

    DEFF Research Database (Denmark)

    Gumbert, Silke D.; Körbitzer, Meike; Alig, Edith;

    2016-01-01

    The crystal structure of C.I. Pigment Yellow 138 was determined from X-ray powder diffraction data using real-space methods with subsequent Rietveld refinements. The tautomeric state was investigated by solid-state 1D and 2D multinuclear NMR experiments. In the crystals, the compound exhibits...... the NH-tautomer with a hydrogen atom situated at the nitrogen of the quinoline moiety. Direct evidence of the presence of the NH-tautomer is provided by 1H–14N HMQC solid-state NMR at very fast MAS. Solid-state dispersion-corrected density functional theory calculations with BLYP-D3 confirm...

  15. ULTRA-BRIGHT X-RAY GENERATION USING INVERSE COMPTON SCATTERING OF PICOSECOND CO(2) LASER PLUSES.

    Energy Technology Data Exchange (ETDEWEB)

    TSUNEMI,A.; ENDO,A.; POGORELSKY,I.; BEN-ZVI,I.; KUSCHE,K.; SKARITKA,J.; YAKIMENKO,V.; HIROSE,T.; URAKAWA,J.; OMORI,T.; WASHIO,M.; LIU,Y.; HE,P.; CLINE,D.

    1999-03-01

    Laser-Compton scattering with picosecond CO{sub 2} laser pulses is proposed for generation of high-brightness x-rays. The interaction chamber has been developed and the experiment is scheduled for the generation of the x-rays of 4.7 keV, 10{sup 7} photons in 10-ps pulse width using 50-MeV, 0.5-nC relativistic electron bunches and 6 GW CO{sub 2} laser.

  16. The performance test of anti-scattering x-ray grid with inclined shielding material by MCNP code simulation

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Jun Woo; Kim, Hee Reyoung [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

    2016-06-15

    The scattered photons cause reduction of the contrast of radiographic image and it results in the degradation of the quality of the image. In order to acquire better quality image, an anti-scattering x-ray gird should be equipped in radiography system. The X-ray anti-scattering grid of the inclined type based on the hybrid concept for that of parallel and focused type was tested by MCNP code. The MCNPX 2.7.0 was used for the simulation based test. The geometry for the test was based on the IEC 60627 which was an international standard for diagnostic X-ray imaging equipment-Characteristics of general purpose and mammographic anti-scatter grids. The performance of grids with four inclined shielding material types was compared with that of the parallel type. The grid with completely tapered type the best performance where there were little performance difference according to the degree of inclination.

  17. Breast tissue classification using x-ray scattering measurements and multivariate data analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ryan, Elaine A; Farquharson, Michael J [School of Allied Health Sciences, City University, Charterhouse Square, London EC1M 6PA (United Kingdom)

    2007-11-21

    This study utilized two radiation scatter interactions in order to differentiate malignant from non-malignant breast tissue. These two interactions were Compton scatter, used to measure the electron density of the tissues, and coherent scatter to obtain a measure of structure. Measurements of these parameters were made using a laboratory experimental set-up comprising an x-ray tube and HPGe detector. The breast tissue samples investigated comprise five different tissue classifications: adipose, malignancy, fibroadenoma, normal fibrous tissue and tissue that had undergone fibrocystic change. The coherent scatter spectra were analysed using a peak fitting routine, and a technique involving multivariate analysis was used to combine the peak fitted scatter profile spectra and the electron density values into a tissue classification model. The number of variables used in the model was refined by finding the sensitivity and specificity of each model and concentrating on differentiating between two tissues at a time. The best model that was formulated had a sensitivity of 54% and a specificity of 100%.

  18. Breast tissue classification using x-ray scattering measurements and multivariate data analysis

    Science.gov (United States)

    Ryan, Elaine A.; Farquharson, Michael J.

    2007-11-01

    This study utilized two radiation scatter interactions in order to differentiate malignant from non-malignant breast tissue. These two interactions were Compton scatter, used to measure the electron density of the tissues, and coherent scatter to obtain a measure of structure. Measurements of these parameters were made using a laboratory experimental set-up comprising an x-ray tube and HPGe detector. The breast tissue samples investigated comprise five different tissue classifications: adipose, malignancy, fibroadenoma, normal fibrous tissue and tissue that had undergone fibrocystic change. The coherent scatter spectra were analysed using a peak fitting routine, and a technique involving multivariate analysis was used to combine the peak fitted scatter profile spectra and the electron density values into a tissue classification model. The number of variables used in the model was refined by finding the sensitivity and specificity of each model and concentrating on differentiating between two tissues at a time. The best model that was formulated had a sensitivity of 54% and a specificity of 100%.

  19. The X-ray Polarization Signature of Quiescent Magnetars: Effect of Magnetospheric Scattering and Vacuum Polarization

    Science.gov (United States)

    Fernández, Rodrigo; Davis, Shane W.

    2011-04-01

    In the magnetar model, the quiescent non-thermal soft X-ray emission from anomalous X-ray pulsars and soft gamma repeaters is thought to arise from resonant Comptonization of thermal photons by charges moving in a twisted magnetosphere. Robust inference of physical quantities from observations is difficult, because the process depends strongly on geometry, and current understanding of the magnetosphere is not very deep. The polarization of soft X-ray photons is an independent source of information, and its magnetospheric imprint remains only partially explored. In this paper, we calculate how resonant cyclotron scattering would modify the observed polarization signal relative to the surface emission, using a multidimensional Monte Carlo radiative transfer code that accounts for the gradual coupling of polarization eigenmodes as photons leave the magnetosphere. We employ a globally twisted, self-similar, force-free magnetosphere with a power-law momentum distribution, assume a blackbody spectrum for the seed photons, account for general relativistic light deflection close to the star, and assume that vacuum polarization dominates the dielectric properties of the magnetosphere. The latter is a good approximation if the pair multiplicity is not much larger than unity. Phase-averaged polarimetry is able to provide a clear signature of the magnetospheric reprocessing of thermal photons and to constrain mechanisms generating the thermal emission. Phase-resolved polarimetry, in addition, can characterize the spatial extent and magnitude of the magnetospheric twist angle at ~100 stellar radii, and discern between uni- or bidirectional particle energy distributions, almost independently of every other parameter in the system. We discuss prospects for detectability with the Gravity and Extreme Magnetism (GEMS) mission.

  20. Measurements of Ionic Structure in Shock Compressed Lithium Hydride from Ultra-fast X-ray Thomson Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Kritcher, A L; Neumayer, P; Brown, C; Davis, P; Doppner, T; Falcone, R W; Gericke, D O; Gregori, G; Holst, B; Landen, O L; Lee, H J; Morse, E C; Pelka, A; Redmer, R; Roth, M; Vorberger, J; Wunsch, K; Glenzer, S H

    2009-07-14

    We present the first ultrafast temporally, spectrally and angularly resolved x-ray scattering measurements from shock-compressed matter. These laser-compressed lithium-hydride samples are well characterized by inelastic Compton and Plasmon scattering of a K-{alpha} x-ray probe providing independent measurements of temperature and density. The experimental spectra yield the absolute elastic and inelastic scattering intensities from the measured density of free electrons. The data show excellent agreement with the total intensity and structure when using the two-species form factor and accounting for ionic screening.

  1. A large-solid-angle X-ray Raman scattering spectrometer at ID20 of the European Synchrotron Radiation Facility.

    Science.gov (United States)

    Huotari, S; Sahle, Ch J; Henriquet, Ch; Al-Zein, A; Martel, K; Simonelli, L; Verbeni, R; Gonzalez, H; Lagier, M C; Ponchut, C; Moretti Sala, M; Krisch, M; Monaco, G

    2017-03-01

    An end-station for X-ray Raman scattering spectroscopy at beamline ID20 of the European Synchrotron Radiation Facility is described. This end-station is dedicated to the study of shallow core electronic excitations using non-resonant inelastic X-ray scattering. The spectrometer has 72 spherically bent analyzer crystals arranged in six modular groups of 12 analyzer crystals each for a combined maximum flexibility and large solid angle of detection. Each of the six analyzer modules houses one pixelated area detector allowing for X-ray Raman scattering based imaging and efficient separation of the desired signal from the sample and spurious scattering from the often used complicated sample environments. This new end-station provides an unprecedented instrument for X-ray Raman scattering, which is a spectroscopic tool of great interest for the study of low-energy X-ray absorption spectra in materials under in situ conditions, such as in operando batteries and fuel cells, in situ catalytic reactions, and extreme pressure and temperature conditions.

  2. An X-ray scatter system for material identification in cluttered objects: A Monte Carlo simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Lakshmanan, Manu N. [Ravin Advanced Imaging Laboratories, Dept. of Radiology, Duke University Medical Center, Durham, NC (United States); Kapadia, Anuj J., E-mail: anuj.kapadia@duke.edu [Ravin Advanced Imaging Laboratories, Dept. of Radiology, Duke University Medical Center, Durham, NC (United States); Sahbaee, Pooyan [Ravin Advanced Imaging Laboratories, Dept. of Radiology, Duke University Medical Center, Durham, NC (United States); Dept. of Physics, NC State University, Raleigh, NC (United States); Wolter, Scott D. [Dept. of Physics, Elon University, Elon, NC (United States); Harrawood, Brian P. [Ravin Advanced Imaging Laboratories, Dept. of Radiology, Duke University Medical Center, Durham, NC (United States); Brady, David [Dept. of Electrical and Computer Engineering, Duke University, Durham, NC (United States); Samei, Ehsan [Ravin Advanced Imaging Laboratories, Dept. of Radiology, Duke University Medical Center, Durham, NC (United States); Dept. of Electrical and Computer Engineering, Duke University, Durham, NC (United States)

    2014-09-15

    The analysis of X-ray scatter patterns has been demonstrated as an effective method of identifying specific materials in mixed object environments, for both biological and non-biological applications. Here we describe an X-ray scatter imaging system for material identification in cluttered objects and investigate its performance using a large-scale Monte Carlo simulation study of one-thousand objects containing a broad array of materials. The GEANT4 Monte Carlo source code for Rayleigh scatter physics was modified to model coherent scatter diffraction in bulk materials based on experimentally measured form factors for 33 materials. The simulation was then used to model coherent scatter signals from a variety of targets and clutter (background) materials in one thousand randomized objects. The resulting scatter images were used to characterize four parameters of the imaging system that affected its ability to identify target materials: (a) the arrangement of materials in the object, (b) clutter attenuation, (c) type of target material, and (d) the X-ray tube current. We found that the positioning of target materials within the object did not significantly affect their detectability; however, a strong negative correlation was observed between the target detectability and the clutter attenuation of the object. The imaging signal was also found to be relatively invariant to increases in X-ray tube current above 1 mAs for most materials considered in the study. This work is the first Monte Carlo study to our knowledge of a large population of cluttered object of an X-ray scatter imaging system for material identification and lays the foundation for large-scale studies of the effectiveness of X-ray scatter imaging systems for material identification in complex samples.

  3. An X-ray scatter system for material identification in cluttered objects: A Monte Carlo simulation study

    Science.gov (United States)

    Lakshmanan, Manu N.; Kapadia, Anuj J.; Sahbaee, Pooyan; Wolter, Scott D.; Harrawood, Brian P.; Brady, David; Samei, Ehsan

    2014-09-01

    The analysis of X-ray scatter patterns has been demonstrated as an effective method of identifying specific materials in mixed object environments, for both biological and non-biological applications. Here we describe an X-ray scatter imaging system for material identification in cluttered objects and investigate its performance using a large-scale Monte Carlo simulation study of one-thousand objects containing a broad array of materials. The GEANT4 Monte Carlo source code for Rayleigh scatter physics was modified to model coherent scatter diffraction in bulk materials based on experimentally measured form factors for 33 materials. The simulation was then used to model coherent scatter signals from a variety of targets and clutter (background) materials in one thousand randomized objects. The resulting scatter images were used to characterize four parameters of the imaging system that affected its ability to identify target materials: (a) the arrangement of materials in the object, (b) clutter attenuation, (c) type of target material, and (d) the X-ray tube current. We found that the positioning of target materials within the object did not significantly affect their detectability; however, a strong negative correlation was observed between the target detectability and the clutter attenuation of the object. The imaging signal was also found to be relatively invariant to increases in X-ray tube current above 1 mAs for most materials considered in the study. This work is the first Monte Carlo study to our knowledge of a large population of cluttered object of an X-ray scatter imaging system for material identification and lays the foundation for large-scale studies of the effectiveness of X-ray scatter imaging systems for material identification in complex samples.

  4. Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy.

    Science.gov (United States)

    Yang, Ke R; Matula, Adam J; Kwon, Gihan; Hong, Jiyun; Sheehan, Stafford W; Thomsen, Julianne M; Brudvig, Gary W; Crabtree, Robert H; Tiede, David M; Chen, Lin X; Batista, Victor S

    2016-05-04

    The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-O cores and terminal anionic ligands, generated in situ through partial oxidation of a common catalyst precursor. The proposed structures are supported by (1)H and (17)O NMR, EPR, resonance Raman and UV-vis spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in situ technique for characterization of active species in catalytic systems.

  5. Non-invasive classification of breast microcalcifications using x-ray coherent scatter computed tomography

    Science.gov (United States)

    Ghammraoui, Bahaa; Popescu, Lucretiu M.

    2017-02-01

    We investigate the use of energy dispersive x-ray coherent scatter computed tomography (ED-CSCT) as a non-invasive diagnostic method to differentiate between type I and type II breast calcifications. This approach is sensitive to the differences of composition and internal crystal structure of different types of microcalcifications. The study is carried out by simulating a CSCT system with a scanning pencil beam, considering a polychromatic x-ray source and an energy-resolving photon counting detector. In a first step, the multidimensional angle and energy distributed CSCT data is reduced to the projection-space distributions of only a few components, corresponding to the expected target composition: adipose, glandular tissue, weddellite (calcium oxalate) for type I calcifications, and hydroxyapatite for type II calcifications. The maximum-likelihood estimation of scatter components algorithm used, operating in the projection space, takes into account the polychromatic source, the detector response function and the energy dependent attenuation. In the second step, component images are reconstructed from the corresponding estimated component projections using filtered backprojection. In a preliminary step the coherent scatter differential cross sections for hydroxyapatite and weddellite minerals were determined experimentally. The classification of type I or II calcifications is done using the relative contrasts of their components as the criterion. Simulation tests were carried out for different doses and energy resolutions for multiple realizations. The results were analyzed using relative/receiver operating characteristic methodology and show good discrimination ability at medium and higher doses. The noninvasive CSCT technique shows potential to further improve the breast diagnostic accuracy and reduce the number of breast biopsies.

  6. K-edge resonant x-ray magnetic scattering from a transition-metal oxide: NiO

    DEFF Research Database (Denmark)

    Hill, J.P.; Kao, C.C.; McMorrow, D.F.

    1997-01-01

    We report the observation of resonant x-ray magnetic scattering in the vicinity of the Ni K edge in the antiferromagnet NiO. An approximately twofold increase in the scattering is observed as the incident photon energy is tuned through a pre-edge feature in the absorption spectrum, associated...

  7. Extreme UV and X-ray scattering measurements from a rough LiF crystal surface characterized by electron micrography

    DEFF Research Database (Denmark)

    Alehyane; Arbaoui; Barchewitz

    1989-01-01

    XUV and X-ray scattering by a LiF crystal is measured. The angular distribution of the scattered radiation (ADSR) reveals characteristic features, side peaks or asymmetry. The surface of the sample is statistically characterized by a microdensitometer analysis of electron micrographs resolving th...

  8. Structure-property relations in crystalline L-leucine obtained from calorimetry, X-rays, neutron and Raman scattering

    DEFF Research Database (Denmark)

    Facanha Filho, Pedro F.; Jiao, Xueshe; Freire, Paulo T. C.;

    2011-01-01

    We have studied the amino acid L-leucine (LEU) using inelastic neutron scattering, X-rays and neutron diffraction, calorimetry and Raman scattering as a function of temperature, focusing on the relationship between the local dynamics of the NH(3), CH(3), CH(2) and CO(2) moieties and the molecular...

  9. Quantifying radiation damage in biomolecular small-angle X-ray scattering.

    Science.gov (United States)

    Hopkins, Jesse B; Thorne, Robert E

    2016-06-01

    Small-angle X-ray scattering (SAXS) is an increasingly popular technique that provides low-resolution structural information about biological macromolecules in solution. Many of the practical limitations of the technique, such as minimum required sample volume, and of experimental design, such as sample flow cells, are necessary because the biological samples are sensitive to damage from the X-rays. Radiation damage typically manifests as aggregation of the sample, which makes the collected data unreliable. However, there has been little systematic investigation of the most effective methods to reduce damage rates, and results from previous damage studies are not easily compared with results from other beamlines. Here a methodology is provided for quantifying radiation damage in SAXS to provide consistent results between different experiments, experimenters and beamlines. These methods are demonstrated on radiation damage data collected from lysozyme, glucose isomerase and xylanase, and it is found that no single metric is sufficient to describe radiation damage in SAXS for all samples. The radius of gyration, molecular weight and integrated SAXS profile intensity constitute a minimal set of parameters that capture all types of observed behavior. Radiation sensitivities derived from these parameters show a large protein dependence, varying by up to six orders of magnitude between the different proteins tested. This work should enable consistent reporting of radiation damage effects, allowing more systematic studies of the most effective minimization strategies.

  10. A Microbeam Small-Angle X-ray Scattering Study on Enamel Crystallites in Subsurface Lesion

    Energy Technology Data Exchange (ETDEWEB)

    Yagi, N; Ohta, N; Matsuo, T [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Tanaka, T; Terada, Y; Kamasaka, H; Kometani, T, E-mail: yagi@spring8.or.j [Ezaki Glico Co. Ltd., 4-6-5 Utajima, Nishiyodogawa-ku, Osaka 555-8502 (Japan)

    2010-10-01

    The early caries lesion in bovine tooth enamel was studied by two different X-ray diffraction systems at the SPring-8 third generation synchrotron radiation facility. Both allowed us simultaneous measurement of the small and large angle regions. The beam size was 6{mu}m at BL40XU and 50{mu}m at BL45XU. The small-angle scattering from voids in the hydroxyapatite crystallites and the wide-angle diffraction from the hydroxyapatite crystals were observed simultaneously. At BL40XU an X-ray image intensifier was used for the small-angle and a CMOS flatpanel detector for the large-angle region. At BL45XU, a large-area CCD detector was used to cover both regions. A linear microbeam scan at BL40XU showed a detailed distribution of voids and crystals and made it possible to examine the structural details in the lesion. The two-dimensional scan at BL45XU showed distribution of voids and crystals in a wider region in the enamel. The simultaneous small- and wide-angle measurement with a microbeam is a powerful tool to elucidate the mechanisms of demineralization and remineralization in the early caries lesion.

  11. Alzheimer's disease imaging biomarkers using small-angle x-ray scattering

    Science.gov (United States)

    Choi, Mina; Alam, Nadia; Dahal, Eshan; Ghammraoui, Bahaa; Badano, Aldo

    2016-03-01

    There is a need for novel imaging techniques for the earlier detection of Alzheimer's disease (AD). Two hallmarks of AD are amyloid beta (Aβ) plaques and tau tangles that are formed in the brain. Well-characterized x-ray cross sections of Aβ and tau proteins in a variety of structural states could potentially be used as AD biomarkers for small-angle x-ray scattering (SAXS) imaging without the need for injectable probes or contrast agents. First, however, the protein structures must be controlled and measured to determine accurate biomarkers for SAXS imaging. Here we report SAXS measurements of Aβ42 and tau352 in a 50% dimethyl sulfoxide (DMSO) solution in which these proteins are believed to remain monomeric because of the stabilizing interaction of DMSO solution. Our SAXS analysis showed the aggregation of both proteins. In particular, we found that the aggregation of Aβ42 slowly progresses with time in comparison to tau352 that aggregates at a faster rate and reaches a steady-state. Furthermore, the measured signals were compared to the theoretical SAXS profiles of Aβ42 monomer, Aβ42 fibril, and tau352 that were computed from their respective protein data bank structures. We have begun the work to systematically control the structural states of these proteins in vitro using various solvent conditions. Our future work is to utilize the distinct SAXS profiles of various structural states of Aβ and tau to build a library of signals of interest for SAXS imaging in brain tissue.

  12. Synchrotron X-ray Scattering Studies of Poly(lactide) Electrospun Fibers Containing Carbon Nanotubes

    Science.gov (United States)

    Zhu, Yazhe; Cebe, Peggy

    2014-03-01

    Carbon nanotubes(CNTs) often serve as an effective nucleating agent that facilitates the crystallization of semicrystalline polymers. Here we study the influence of CNTs on thermal and structural properties of Poly-lactide (PLA), which is well-known as a biodegradable and biocompatible thermoplastic polymer. The effect of CNTs on the crystallization and melting behavior of electrospun fibers of poly (L-lactide) (PLLA, with 100% L-isomer) and poly (D-lactide) (PDLA, containing 4% D-isomer) was systemically studied by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform spectroscopy(FT-IR) and real time synchrotron wide-angle X-ray scattering (WAXS) . Multi-walled CNTs were co-electrospun with the poly(lactides) in weight ratios ranging from 0.1 to 4.0 wt% MW-CNT. PLA/carbon nanotubes composite electrospun fibers were successfully produced by appropriate choice of processing conditions and solution concentration. The morphologies of neat and CNT-filled electrospun nanofibers were observed by scanning electron microscopy. WAXS and DSC results show that lower content of CNTs contributes to higher speed of crystallization. However the results also showed that at the highest concentration of CNTs the ultimate crystallinity was reduced. FTIR and X-ray results show that PLA fibers have different crystal forms at high and low crystallization temperature. DSC results also show that D-lactide has reduced crystallinity compared to L-lactide.

  13. Experiment of X-ray Generations Using Laser-Compton Scattering at LINAC of SINAP

    Institute of Scientific and Technical Information of China (English)

    PAN Qiang-yan; XU Wang; LUO Wen; FAN Gong-tao; Yang Li-feng; Fan Guang-wei; LI Yong-jiang; XU Ben-ji; SHI Xiang-chun; LIN Guo-qiang; YAN Zhe; XU Yi; CHEN Jing-gen; GUO Wei; WANG Hong-wei; WANG Cheng-bin; XU Jia-qiang; Ma Yu-gang; CAI Xiang-zhou; ZHAO Ming-hua; SHEN Wen-qing

    2009-01-01

    Laser Compton scattering(LCS) can generate X-rays or y-rays with high brightness and easy controlled polarization by applying high-peak-power laser pulses to relativistic electron bunches.One of the most promising approaches to short pulsed X-ray sources is the laser synchrotron source.It is based on LCS between picoseconds relativistic electron bunches and picoseconds laser pulses.A project of Shanghai laser electron gamma source with LCS method has been proposed on Shanghai synchrotron radiation facility.Before that,a prototype has been developed in the beamline of the linear accelerator at the Shanghai Institute of Applied Physics,Chinese Academy of Sciences.The LCS experiment was carried out by using the 107 MeV,5 Hz,1 ns,0.1 nC electron bunches from the linear accelerator and the 18 ns,10 MW peak power,Nd:YAG laser pulses.In this communication,we describe the details and report the first results of this experiment.

  14. Stimulated Raman scattering in helium with soft-x-ray laser radiation

    Science.gov (United States)

    Fill, E. E.; van Enk, S. J.; Zhang, Jian; Lambropoulos, P.

    1996-12-01

    We report calculations for stimulated Raman scattering (SRS) with pump photons from a soft-x-ray laser. The Raman transitions from the 1 1S0 ground state to the 2 1S0 and 3 1S0 metastable states of helium at 20.6 and 22.9 eV, respectively, are considered. We calculate χ(3) for pump photons with an energy close to the autoionizing resonances (2s2p)1P at 60.15 eV and (sp,23+)1P at 63.66 eV. SRS gain coefficients are derived for x-ray laser lines in close resonance with the autoionizing levels, viz., the 3p(3/2,3/2)2-->3s(3/2,1/2)1 transition in neonlike selenium (λ=20.64 nm) and the analogous transition in neonlike bromine (λ=19.47 nm). It is shown that the Raman gain coefficient with experimentally realistic parameters is significant and that a high gain length product can be achieved even with pump intensities below 1011 W/cm2.

  15. Scattered hard X-ray and γ-ray generation from a chromatic electron beam

    Energy Technology Data Exchange (ETDEWEB)

    Coleman, J. E. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Welch, D. R.; Miller, C. L. [Voss Scientific, Albuquerque, New Mexico 87108 (United States)

    2015-11-14

    An array of photon diagnostics has been deployed on a high power relativistic electron beam diode. Electrons are extracted through a 17.8 cm diode from the surface discharge of a carbon fiber velvet cathode with a nominal diode voltage of 3.8 MV. <10% of the 100 ns electron pulse is composed of off energy electrons (1–3 MeV) accelerated during the rise and fall of the pulse that impact the stainless steel beam pipe and generate a Bremsstrahlung spectrum of 0.1–3 MeV photons with a total count of 10{sup 11}. The principal objective of these experiments is to quantify the electron beam dynamics and spatial dynamics of the hard X-ray and γ-ray flux generated in the diode region. A qualitative comparison of experimental and calculated results are presented, including time and energy resolved electron beam propagation and scattered photon measurements with X-ray PIN diodes and a photomultiplier tube indicating a dose dependence on the diode voltage >V{sup 4} and detected photon counts of nearly 10{sup 6} at a radial distance of 1 m which corresponds to dose ∼40 μrad at 1 m.

  16. Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics

    Science.gov (United States)

    Kunnus, Kristjan; Josefsson, Ida; Rajkovic, Ivan; Schreck, Simon; Quevedo, Wilson; Beye, Martin; Grübel, Sebastian; Scholz, Mirko; Nordlund, Dennis; Zhang, Wenkai; Hartsock, Robert W.; Gaffney, Kelly J.; Schlotter, William F.; Turner, Joshua J.; Kennedy, Brian; Hennies, Franz; Techert, Simone; Wernet, Philippe; Odelius, Michael; Föhlisch, Alexander

    2016-10-01

    Ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbital and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)5 in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given—which will be covered experimentally by upcoming transform-limited x-ray sources.

  17. Joint small-angle X-ray and neutron scattering data analysis of asymmetric lipid vesicles

    Science.gov (United States)

    Eicher, Barbara; Heberle, Frederick A.; Marquardt, Drew; Rechberger, Gerald N.; Katsaras, John

    2017-01-01

    Low- and high-resolution models describing the internal transbilayer structure of asymmetric lipid vesicles have been developed. These models can be used for the joint analysis of small-angle neutron and X-ray scattering data. The models describe the underlying scattering length density/electron density profiles either in terms of slabs or through the so-called scattering density profile, previously applied to symmetric lipid vesicles. Both models yield structural details of asymmetric membranes, such as the individual area per lipid, and the hydrocarbon thickness of the inner and outer bilayer leaflets. The scattering density profile model, however, comes at a cost of increased computational effort but results in greater structural resolution, showing a slightly lower packing of lipids in the outer bilayer leaflet of ∼120 nm diameter palmitoyl­oleoyl phosphatidyl­choline (POPC) vesicles, compared to the inner leaflet. Analysis of asymmetric dipalmitoyl phosphatidylcholine/POPC vesicles did not reveal evidence of transbilayer coupling between the inner and outer leaflets at 323 K, i.e. above the melting transition temperature of the two lipids. PMID:28381971

  18. Quasi-particle interference of heavy fermions in resonant x-ray scattering

    Science.gov (United States)

    Gyenis, András; da Silva Neto, Eduardo H.; Sutarto, Ronny; Schierle, Enrico; He, Feizhou; Weschke, Eugen; Kavai, Mariam; Baumbach, Ryan E.; Thompson, Joe D.; Bauer, Eric D.; Fisk, Zachary; Damascelli, Andrea; Yazdani, Ali; Aynajian, Pegor

    2016-01-01

    Resonant x-ray scattering (RXS) has recently become an increasingly important tool for the study of ordering phenomena in correlated electron systems. Yet, the interpretation of RXS experiments remains theoretically challenging because of the complexity of the RXS cross section. Central to this debate is the recent proposal that impurity-induced Friedel oscillations, akin to quasi-particle interference signals observed with a scanning tunneling microscope (STM), can lead to scattering peaks in RXS experiments. The possibility that quasi-particle properties can be probed in RXS measurements opens up a new avenue to study the bulk band structure of materials with the orbital and element selectivity provided by RXS. We test these ideas by combining RXS and STM measurements of the heavy fermion compound CeMIn5 (M = Co, Rh). Temperature- and doping-dependent RXS measurements at the Ce-M4 edge show a broad scattering enhancement that correlates with the appearance of heavy f-electron bands in these compounds. The scattering enhancement is consistent with the measured quasi-particle interference signal in the STM measurements, indicating that the quasi-particle interference can be probed through the momentum distribution of RXS signals. Overall, our experiments demonstrate new opportunities for studies of correlated electronic systems using the RXS technique.

  19. Preparation of Pt-Tl clusters showing new geometries. X-ray, NMR and luminescence studies.

    Science.gov (United States)

    Belío, Úrsula; Fuertes, Sara; Martín, Antonio

    2014-07-28

    Square planar complexes [Pt(CNC)L] (CNC = C,N,C-2,6-NC5H3(C6H4-2)2; L = tht (tetrahydrothiophene, SC4H8, 1), L = CN(t)Bu (2)) react with TlPF6 in different Pt/Tl molar ratios (3/1 in the case of 1 and 1/1 in the case of 2) yielding the complexes [{Pt(CNC)(tht)}3Tl](PF6) (3) and [Pt(CNC)(CN(t)Bu)Tl](PF6) (4), respectively. The structures of 3 and 4 (X-ray) show the presence of Pt→Tl dative bonds unsupported by any bridging ligands. In complex 3, the only Tl centre is simultaneously bonded to three Pt atoms forming a perfect equilateral triangle with Pt-Tl distances of 2.9088(5) Å, remarkably short. Complex 4 is formed by three "Pt(CNC)(CN(t)Bu)Tl" units, disposed in a triangular fashion, linked together through η(6)-Tl-arene interactions, and showing Pt-Tl bonds with distances of ca. 3.04 Å. The study of these crystal structures would seem to indicate that the difference between the Pt/Tl ratios found in the complexes 3 and 4 is due to the steric requirements of the L ligand bonded to Pt. NMR studies both in solution and in the solid state show that the Pt-Tl bond persists in solutions of 3 and 4. The UV-vis spectra of 3 and 4 in solution display the same profiles as those of 1 and 2, which may suggest a partial dissociation of the Pt-Tl bond in solution. However, by DFT calculations it was proved that in this case the formation of the Pt-Tl dative bond does not produce the expected blue-shift in the UV-vis absorptions. The emissive behaviour of 1-4 in the solid state and in frozen solutions is also studied and included in this work.

  20. Structure of dimethylphenyl betaine hydrochloride studied by X-ray diffraction, DFT calculation, NMR and FTIR spectra

    Science.gov (United States)

    Szafran, M.; Katrusiak, A.; Dega-Szafran, Z.; Kowalczyk, I.

    2013-01-01

    The structure of dimethylphenyl betaine hydrochloride (1) has been studied by X-ray diffraction, DFT calculations, NMR and FTIR spectra. The crystals are monoclinic, space group P21/c. In the crystal, the Cl- anion is connected with protonated betaine through the O-H⋯Cl- hydrogen bond of 2.943(2) Å. The structures in the gas phase (2) and water solution (3) have been optimized by the B3LYP/6-311++G(d,p) approach and the geometrical results have been compared with the X-ray data of 1. The FTIR spectrum of the solid compound is consistent with the X-ray results. The probable assignments of the anharmonic experimental vibrational frequencies of the investigated chloride (1) based on the calculated harmonic frequencies in water solution (3) are proposed. The correlations between the experimental 1H and 13C NMR chemical shifts (δexp) of 1 in D2O and the magnetic isotropic shielding constants (σcalc) calculated by the GIAO/B3LYP/6-311G++(d,p) approach, using the screening solvation model (COSMO), δexp = a + b σcalc, for optimized molecule 3 in water solution are linear and correctly reproduce the experimental chemical shifts.

  1. The simultaneous measurement of energy and linear polarization of the scattered radiation in resonant inelastic soft x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Braicovich, L., E-mail: lucio.braicovich@polimi.it; Minola, M.; Dellea, G.; Ghiringhelli, G. [CNR-SPIN and Dipartimento di Fisica, Politecnico di Milano, piazza Leonardo Da Vinci 32, Milano I-20133 (Italy); Le Tacon, M. [Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart (Germany); Moretti Sala, M.; Morawe, C.; Peffen, J.-Ch.; Yakhou, F.; Brookes, N. B. [European Synchrotron Radiation Facility, 71 Avenue des Martyrs, Grenoble F-38043 (France); Supruangnet, R. [Synchrotron Light Research Institute, Nakhon Ratchasima (Thailand)

    2014-11-15

    Resonant Inelastic X-ray Scattering (RIXS) in the soft x-ray range is an element-specific energy-loss spectroscopy used to probe the electronic and magnetic excitations in strongly correlated solids. In the recent years, RIXS has been progressing very quickly in terms of energy resolution and understanding of the experimental results, but the interpretation of spectra could further improve, sometimes decisively, from a full knowledge of the polarization of incident and scattered photons. Here we present the first implementation, in a high resolution soft-RIXS spectrometer used to analyze the scattered radiation, of a device allowing the measurement of the degree of linear polarization. The system, based on a graded W/B{sub 4}C multilayer mirror installed in proximity of the CCD detector, has been installed on the AXES spectrometer at the ESRF (European Synchrotron Radiation Facility); it has been fully characterized and it has been used for a demonstration experiment at the Cu L{sub 3} edge on a high-T{sub c} superconducting cuprate. The loss in efficiency suffered by the spectrometer equipped with this test facility was a factor 17.5. We propose also a more advanced version, suitable for a routine use on the next generation of RIXS spectrometers and with an overall efficiency up to 10%.

  2. The simultaneous measurement of energy and linear polarization of the scattered radiation in resonant inelastic soft x-ray scattering

    CERN Document Server

    Braicovich, L; Dellea, G; Tacon, M Le; Sala, M Moretti; Morawe, C; Peffen, J-Ch; Supruangnet, R; Yakhou, F; Ghiringhelli, G; Brookes, N B

    2014-01-01

    Resonant Inelastic X-ray Scattering (RIXS) in the soft x-ray range is an element-specific energy-loss spectroscopy used to probe the electronic and magnetic excitations in strongly correlated solids. In the recent years, RIXS has been progressing very quickly in terms of energy resolution and understanding of the experimental results, but the interpretation of spectra could further improve, sometimes decisively, from a full knowledge of the polarization of incident and scattered photons. Here we present the first implementation, in a high resolution RIXS spectrometer used to analyze the scattered radiation, of a device allowing the measurement of the degree of linear polarization. The system, based on a graded W/B4C multilayer mirror installed in proximity of the CCD detector, has been installed on the AXES spectrometer at the ESRF; it has been fully characterized and it has been used for a demonstration experiment at the Cu L3 edge on a high-Tc superconducting cuprate. The loss in efficiency suffered by the ...

  3. Neutron and x-ray scatter studies of the histone octamer and amino and carboxyl domain trimmed octamers.

    Science.gov (United States)

    Wood, M J; Yau, P; Imai, B S; Goldberg, M W; Lambert, S J; Fowler, A G; Baldwin, J P; Godfrey, J E; Moudrianakis, E N; Koch, M H

    1991-03-25

    The structure of the nucleosome has been under intense investigation using neutron crystallography, x-ray crystallography, and neutron solution scattering. However the dimension of the histone octamer inside the nucleosome is still a subject of controversy. The radius of gyration (Rg) of the octamer obtained from solution neutron scattering of core particles at 63% 2H2O, 37% 1H2O is 33 A, and x-ray crystallography study of isolated histone octamer gives a Rg of 32.5 A, while the reported values using x-ray crystallography of core particles from two individual studies are 29.7 and 30.4 A, respectively. We report here studies of isolated histone octamer and trypsin-limited digested octamer using both neutron solution scattering and small angle x-ray scattering. The Rg of the octamer obtained is 33 A, whereas that of the trimmed octamer is 29.8 A, similar to the structure obtained from the crystals of the core particles. The N-terminal domains of the core histones in the octamer have been shown by high resolution nuclear magnetic resonance (Schroth, G.P., Yau, P., Imai, B.S., Gatewood, J.M., and Bradbury, E.M. (1990) FEBS Lett. 268, 117-120) to be mobile and flexible; it is likely that these regions are disordered and "not seen" by x-ray crystallography.

  4. Inelastic X-ray scattering on liquid benzene analyzed using a generalized Langevin equation

    Science.gov (United States)

    Yoshida, Koji; Fukuyama, Nami; Yamaguchi, Toshio; Hosokawa, Shinya; Uchiyama, Hiroshi; Tsutsui, Satoshi; Baron, Alfred Q. R.

    2017-07-01

    The dynamic structure factor, S(Q,ω), of liquid benzene was measured by meV-resolved inelastic X-ray scattering (IXS) and analyzed using a generalized Langevin model with a memory function including fast, μ-relaxation and slow, structural, α-relaxation. The model well reproduced the experimental S(Q,ω) of liquid benzene. The dispersion relation of the collective excitation energy yields the high-frequency sound velocity for liquid benzene as related to the α-relaxation. The ratio of the high-frequency to the adiabatic sound velocity is approximately 1.5, larger to that of carbon tetrachloride and smaller than those of methanol and water, reflecting the nature of intermolecular interactions.

  5. Kohn anomaly in MgB2 by inelastic X-ray scattering.

    Science.gov (United States)

    Baron, A Q R; Uchiyama, H; Tanaka, Y; Tsutsui, S; Ishikawa, D; Lee, S; Heid, R; Bohnen, K-P; Tajima, S; Ishikawa, T

    2004-05-14

    We study phonons in MgB2 using inelastic x-ray scattering (1.6 and 6 meV resolution). We clearly observe the softening and broadening of the crucial E(2g) mode through the Kohn anomaly along GammaM, in excellent agreement with ab initio calculations. Low temperature measurements (just above and below T(c)) show negligible changes for the momentum transfers investigated and no change in the E(2g) mode at A between room temperature and 16 K. We report the presence of a longitudinal mode along GammaA near in energy to the E(2g) mode that is not predicted by theory.

  6. Resonant x-ray scattering in perovskite manganite superlattice. Observation of 'orbital superlattice'

    CERN Document Server

    Kiyama, T; Ohsumi, H; Murakami, Y; Wakabayashi, Y; Izumi, M; Kawasaki, M; Tokura, Y

    2003-01-01

    We report the results of resonant X-ray scattering (RXS) measurement of superlattices which consist of La sub 0 sub . sub 4 sub 5 Sr sub 0 sub . sub 5 sub 5 MnO sub 3 and La sub 0 sub . sub 6 sub 0 Sr sub 0 sub . sub 4 sub 0 MnO sub 3 multilayers. An interference technique made it possible to observe RXS reflections from ferro-type orbital ordering in the superlattices. RXS can reveal the local circumstances around specific atoms in materials regulated atomically. In this experiment, we observed that the superlattice is actually composed of two kinds of layers with different lattice distortion states, presenting 'orbital superlattices', in which layers with different orbital states are stacked alternately in an atomic scale. (author)

  7. SPEC application for achieving inelastic X-ray scattering experiment in the SSRF

    CERN Document Server

    Lan, Xuying; Liang, Dongxu; Yan, Shuai; Mao, Chengwen; Li, Aiguo; Wang, Jie

    2015-01-01

    In order to carry out inelastic X-ray scattering (IXS) experiment at BL15U1 beamline of Shanghai Synchrotron Radiation Facility (SSRF), the data acquisition and control system based on SPEC software has been developed. The IXS experimental method needs linkage control of monochromator, silicon drift detector (SDD) and ionization chamber on continuous segment-scan mode with variable step size, and gains the data of energy, spectrum and light intensity synchronously. A method is presented for achieving this function which was not realized only by using SSCAN of Experimental Physics and Industrial Control System (EPICS). This paper shows work details including control system description, SPEC configurations for EPICS devices, macro definitions and applications in the BL15U1. An IXS experiment was executed by using the SPEC control system, its results prove that the method is feasible to perform the experiment.

  8. X-ray Compton scattering experiments for fluid alkali metals at high temperatures and pressures

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, K., E-mail: kazuhiro-matsuda@scphys.kyoto-u.ac.jp; Fukumaru, T.; Kimura, K.; Yao, M. [Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Tamura, K. [Graduate School of Engineering, Kyoto University, Kyoto 606-8502 (Japan); Katoh, M. [A.L.M.T. Corp., Iwasekoshi-Machi 2, Toyama 931-8543 (Japan); Kajihara, Y.; Inui, M. [Graduate School of Integrated Arts and Sciences, Hiroshima University, Higashi-Hiroshima 739-8521 (Japan); Itou, M.; Sakurai, Y. [Japan Synchrotron Radiation Research Institute, SPring-8, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

    2015-08-17

    We have developed a high-pressure vessel and a cell for x-ray Compton scattering measurements of fluid alkali metals. Measurements have been successfully carried out for alkali metal rubidium at elevated temperatures and pressures using synchrotron radiation at SPring-8. The width of Compton profiles (CPs) of fluid rubidium becomes narrow with decreasing fluid density, which indicates that the CPs sensitively detect the effect of reduction in the valence electron density. At the request of all authors of the paper, and with the agreement of the Proceedings Editor, an updated version of this article was published on 10 September 2015. The original article supplied to AIP Publishing was not the final version and contained PDF conversion errors in Formulas (1) and (2). The errors have been corrected in the updated and re-published article.

  9. Some notes on data analysis for nuclear resonant inelastic x-ray scattering

    Science.gov (United States)

    Hu, Michael Y.

    2016-12-01

    Nuclear Resonant Inelastic X-ray Scattering (NRIXS) is a spectroscopy method to study atomic vibrations and dynamics, currently done with synchrotron radiation at a few high energy third generation facilities. It finds a wide range of applications in condensed matter physics, materials science, chemistry, biophysics, geosciences, and high-pressure researches. Many atomic dynamics and lattice thermodynamics information can be derived from NRIXS measurements. Phonon Density of States (DOS) characterizes lattice dynamics of a material and can be derived under the quasi-harmonic approximation. Combined with modeling and simulations, results from NRIXS can provide unique and clarifying insights into many fields of research. As for a spectroscopic technique, in order to be able to provide reliable information, close attention should be paid to many issues during experiments and data analysis afterwards. Here we discuss several issues relevant to its data analysis, namely, those of multiple sites, background treatments, and error estimates for some derived quantities.

  10. A Study of Multiple Refractive Scattering of Monoenergetic X-Rays from Ensembles of Monodisperse Spheres

    CERN Document Server

    Khromova, Anastasiya

    2010-01-01

    A Monte Carlo program based on a three dimensional vector approach was developed to model multiple refractive scattering of X-ray photons in objects with a fine structure. A particular interest was paid to the investigation of lung tissue. Alveoli are low contrast and low absorbing structures. Hence, they are not visible in the conventional radiography which is based on the changes in the absorption arising from density differences and from variation in the thickness and composition of the object. Another possibility to image fine structure objects is to use the phase imaging techniques. As known, the phase change constant delta at low energies (15-30 keV) is 1000 times larger than the absorption constant beta. The Diffraction Enhance Imaging (DEI) technique is one of the recent phase sensitive techniques based on the use of an analyzer crystal placed between the sample and the detector.

  11. Some notes on data analysis for nuclear resonant inelastic x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Michael Y., E-mail: myhu@aps.anl.gov [Argonne National Laboratory (United States)

    2016-12-15

    Nuclear Resonant Inelastic X-ray Scattering (NRIXS) is a spectroscopy method to study atomic vibrations and dynamics, currently done with synchrotron radiation at a few high energy third generation facilities. It finds a wide range of applications in condensed matter physics, materials science, chemistry, biophysics, geosciences, and high-pressure researches. Many atomic dynamics and lattice thermodynamics information can be derived from NRIXS measurements. Phonon Density of States (DOS) characterizes lattice dynamics of a material and can be derived under the quasi-harmonic approximation. Combined with modeling and simulations, results from NRIXS can provide unique and clarifying insights into many fields of research. As for a spectroscopic technique, in order to be able to provide reliable information, close attention should be paid to many issues during experiments and data analysis afterwards. Here we discuss several issues relevant to its data analysis, namely, those of multiple sites, background treatments, and error estimates for some derived quantities.

  12. Small-angle x-ray scattering study of polymer structure: Carbosilane dendrimers in hexane solution

    Science.gov (United States)

    Shtykova, E. V.; Feigin, L. A.; Volkov, V. V.; Malakhova, Yu. N.; Streltsov, D. R.; Buzin, A. I.; Chvalun, S. N.; Katarzhanova, E. Yu.; Ignatieva, G. M.; Muzafarov, A. M.

    2016-09-01

    The three-dimensional organization of monodisperse hyper-branched macromolecules of regular structure—carbosilane dendrimers of zero, third, and sixth generations—has been studied by small-angle X-ray scattering (SAXS) in solution. The use of modern methods of SAXS data interpretation, including ab initio modeling, has made it possible to determine the internal architecture of the dendrimers in dependence of the generation number and the number of cyclosiloxane end groups (forming the shell of dendritic macromolecules) and show dendrimers to be spherical. The structural results give grounds to consider carbosilane dendrimers promising objects for forming crystals with subsequent structural analysis and determining their structure with high resolution, as well as for designing new materials to be used in various dendrimer-based technological applications.

  13. X-RAY VARIABILITY STUDY OF POLAR SCATTERED SEYFERT1 GALAXIES

    Directory of Open Access Journals (Sweden)

    Tobias Beuchert

    2014-08-01

    Full Text Available We study 12 Seyfert 1 galaxies with a high level of optical polarization. Optical light emerging from the innermost regions is predominantly scattered in a polar region above the central engine directly in our line of sight. These sources show characteristics of Seyfert 2 galaxies, e.g. polarized broad lines. The polarization signatures suggest a viewing angle of 45°, classifying them as intermediate Seyfert 1/2 types. The unified model predicts this line of sight to pass through the outer layer of the torus resulting in significant soft X-ray variability due to a strongly varying column density. The aim is to find evidence for this geometrical assumption in the spectral variability of all available historical observations of these sources by XMM-Newton and Swift.

  14. 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...... of the dosimeter. When omitting gelatin, ellipsoidal micelles of SDS were formed with a core radius near 15 Å, an eccentricity of 1.6, and a head-group shell thickness near 7 Å. Gelatin significantly changed the micelles to a cylindrical shape with around three times lower core radius and four times larger shell...... thickness, which shows that the gelatin is present in the shell and the outer part of the core. Insight into the detailed structure might help to improve the dosimeter performance and increase the dose response to clinically relevant dose levels....

  15. Robust, high-throughput solution structural analyses by small angle X-ray scattering (SAXS)

    Energy Technology Data Exchange (ETDEWEB)

    Hura, Greg L.; Menon, Angeli L.; Hammel, Michal; Rambo, Robert P.; Poole II, Farris L.; Tsutakawa, Susan E.; Jenney Jr, Francis E.; Classen, Scott; Frankel, Kenneth A.; Hopkins, Robert C.; Yang, Sungjae; Scott, Joseph W.; Dillard, Bret D.; Adams, Michael W. W.; Tainer, John A.

    2009-07-20

    We present an efficient pipeline enabling high-throughput analysis of protein structure in solution with small angle X-ray scattering (SAXS). Our SAXS pipeline combines automated sample handling of microliter volumes, temperature and anaerobic control, rapid data collection and data analysis, and couples structural analysis with automated archiving. We subjected 50 representative proteins, mostly from Pyrococcus furiosus, to this pipeline and found that 30 were multimeric structures in solution. SAXS analysis allowed us to distinguish aggregated and unfolded proteins, define global structural parameters and oligomeric states for most samples, identify shapes and similar structures for 25 unknown structures, and determine envelopes for 41 proteins. We believe that high-throughput SAXS is an enabling technology that may change the way that structural genomics research is done.

  16. Small angle x-ray scattering and electron microscopy of nanoparticles formed in an electrical arc

    Directory of Open Access Journals (Sweden)

    E. Carvou

    2013-03-01

    Full Text Available Small Angle X-ray Scattering has been used to characterize nanoparticles generated by electrical arcing between metallic (AgSnO2 electrodes. The particles are found to have diameters between 30 and 40 nm and display smooth surfaces suggesting that they are either in liquid form or have solidified from the liquid state. Particles collected around the electrodes were analyzed by Transmission Electron Microscopy and were seen to be much larger than those seen in the SAXS measurement, to be spherical in form and composed of silver metal with irregular tin oxide particles deposited on their surface. Mixed metal nanoparticles can have important practical applications and the use of mixed sintered electrodes may be a direct method for their production.

  17. Small angle x-ray scattering and electron microscopy of nanoparticles formed in an electrical arc

    Science.gov (United States)

    Carvou, E.; Garrec, J. L. Le; Pérez, J.; Praquin, J.; Djeddi, M.; Mitchell, J. B. A.

    2013-03-01

    Small Angle X-ray Scattering has been used to characterize nanoparticles generated by electrical arcing between metallic (AgSnO2) electrodes. The particles are found to have diameters between 30 and 40 nm and display smooth surfaces suggesting that they are either in liquid form or have solidified from the liquid state. Particles collected around the electrodes were analyzed by Transmission Electron Microscopy and were seen to be much larger than those seen in the SAXS measurement, to be spherical in form and composed of silver metal with irregular tin oxide particles deposited on their surface. Mixed metal nanoparticles can have important practical applications and the use of mixed sintered electrodes may be a direct method for their production.

  18. High resolution x-ray Thomson scattering measurements from cryogenic hydrogen jets using the linac coherent light source.

    Science.gov (United States)

    Fletcher, L B; Zastrau, U; Galtier, E; Gamboa, E J; Goede, S; Schumaker, W; Ravasio, A; Gauthier, M; MacDonald, M J; Chen, Z; Granados, E; Lee, H J; Fry, A; Kim, J B; Roedel, C; Mishra, R; Pelka, A; Kraus, D; Barbrel, B; Döppner, T; Glenzer, S H

    2016-11-01

    We present the first spectrally resolved measurements of x-rays scattered from cryogenic hydrogen jets in the single photon counting limit. The 120 Hz capabilities of the LCLS, together with a novel hydrogen jet design [J. B. Kim et al., Rev. Sci. Instrum. (these proceedings)], allow for the ability to record a near background free spectrum. Such high-dynamic-range x-ray scattering measurements enable a platform to study ultra-fast, laser-driven, heating dynamics of hydrogen plasmas. This measurement has been achieved using two highly annealed pyrolytic graphite crystal spectrometers to spectrally resolve 5.5 keV x-rays elastically and inelastically scattered from cryogenic hydrogen and focused on Cornell-SLAC pixel array detectors [S. Herrmann et al., Nucl. Instrum. Methods Phys. Res., Sect. A 718, 550 (2013)].

  19. High resolution x-ray Thomson scattering measurements from cryogenic hydrogen jets using the linac coherent light source

    Science.gov (United States)

    Fletcher, L. B.; Zastrau, U.; Galtier, E.; Gamboa, E. J.; Goede, S.; Schumaker, W.; Ravasio, A.; Gauthier, M.; MacDonald, M. J.; Chen, Z.; Granados, E.; Lee, H. J.; Fry, A.; Kim, J. B.; Roedel, C.; Mishra, R.; Pelka, A.; Kraus, D.; Barbrel, B.; Döppner, T.; Glenzer, S. H.

    2016-11-01

    We present the first spectrally resolved measurements of x-rays scattered from cryogenic hydrogen jets in the single photon counting limit. The 120 Hz capabilities of the LCLS, together with a novel hydrogen jet design [J. B. Kim et al., Rev. Sci. Instrum. (these proceedings)], allow for the ability to record a near background free spectrum. Such high-dynamic-range x-ray scattering measurements enable a platform to study ultra-fast, laser-driven, heating dynamics of hydrogen plasmas. This measurement has been achieved using two highly annealed pyrolytic graphite crystal spectrometers to spectrally resolve 5.5 keV x-rays elastically and inelastically scattered from cryogenic hydrogen and focused on Cornell-SLAC pixel array detectors [S. Herrmann et al., Nucl. Instrum. Methods Phys. Res., Sect. A 718, 550 (2013)].

  20. High resolution x-ray Thomson scattering measurements from cryogenic hydrogen jets using the linac coherent light source

    Energy Technology Data Exchange (ETDEWEB)

    Fletcher, L. B., E-mail: lbfletch@slac.stanford.edu; Galtier, E.; Gamboa, E. J.; Schumaker, W.; Gauthier, M.; Granados, E.; Lee, H. J.; Fry, A.; Kim, J. B.; Roedel, C.; Mishra, R.; Glenzer, S. H. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Zastrau, U. [European XFEL, Schenefeld (Germany); Goede, S. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); European XFEL, Schenefeld (Germany); Ravasio, A. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Laboratoire pour l’Utilisation des Lasers Intenses, Palaiseau Cedex (France); MacDonald, M. J. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); University of Michigan, Ann Arbor, Michigan 48109 (United States); Chen, Z. [SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); University of Alberta, Edmonton, Alberta T6G 2R3 (Canada); Pelka, A. [Helmholtz Zentrum Dresden-Rossendorf, Dresden (Germany); Kraus, D. [Helmholtz Zentrum Dresden-Rossendorf, Dresden (Germany); Department of Physics, University of California Berkeley, Berkeley, California 94720 (United States); Barbrel, B. [Department of Physics, University of California Berkeley, Berkeley, California 94720 (United States); and others

    2016-11-15

    We present the first spectrally resolved measurements of x-rays scattered from cryogenic hydrogen jets in the single photon counting limit. The 120 Hz capabilities of the LCLS, together with a novel hydrogen jet design [J. B. Kim et al., Rev. Sci. Instrum. (these proceedings)], allow for the ability to record a near background free spectrum. Such high-dynamic-range x-ray scattering measurements enable a platform to study ultra-fast, laser-driven, heating dynamics of hydrogen plasmas. This measurement has been achieved using two highly annealed pyrolytic graphite crystal spectrometers to spectrally resolve 5.5 keV x-rays elastically and inelastically scattered from cryogenic hydrogen and focused on Cornell-SLAC pixel array detectors [S. Herrmann et al., Nucl. Instrum. Methods Phys. Res., Sect. A 718, 550 (2013)].

  1. Flat panel X-ray detector with reduced internal scattering for improved attenuation accuracy and dynamic range

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Peter D. (Santa Fe, NM); Claytor, Thomas N. (White Rock, NM); Berry, Phillip C. (Albuquerque, NM); Hills, Charles R. (Los Alamos, NM)

    2010-10-12

    An x-ray detector is disclosed that has had all unnecessary material removed from the x-ray beam path, and all of the remaining material in the beam path made as light and as low in atomic number as possible. The resulting detector is essentially transparent to x-rays and, thus, has greatly reduced internal scatter. The result of this is that x-ray attenuation data measured for the object under examination are much more accurate and have an increased dynamic range. The benefits of this improvement are that beam hardening corrections can be made accurately, that computed tomography reconstructions can be used for quantitative determination of material properties including density and atomic number, and that lower exposures may be possible as a result of the increased dynamic range.

  2. Nano-scale morphology of melanosomes revealed by small-angle X-ray scattering.

    Directory of Open Access Journals (Sweden)

    Thomas Gorniak

    Full Text Available Melanosomes are highly specialized organelles that produce and store the pigment melanin, thereby fulfilling essential functions within their host organism. Besides having obvious cosmetic consequences--determining the color of skin, hair and the iris--they contribute to photochemical protection from ultraviolet radiation, as well as to vision (by defining how much light enters the eye. Though melanosomes can be beneficial for health, abnormalities in their structure can lead to adverse effects. Knowledge of their ultrastructure will be crucial to gaining insight into the mechanisms that ultimately lead to melanosome-related diseases. However, due to their small size and electron-dense content, physiologically intact melanosomes are recalcitrant to study by common imaging techniques such as light and transmission electron microscopy. In contrast, X-ray-based methodologies offer both high spatial resolution and powerful penetrating capabilities, and thus are well suited to study the ultrastructure of electron-dense organelles in their natural, hydrated form. Here, we report on the application of small-angle X-ray scattering--a method effective in determining the three-dimensional structures of biomolecules--to whole, hydrated murine melanosomes. The use of complementary information from the scattering signal of a large ensemble of suspended organelles and from single, vitrified specimens revealed a melanosomal sub-structure whose surface and bulk properties differ in two commonly used inbred strains of laboratory mice. Whereas melanosomes in C57BL/6J mice have a well-defined surface and are densely packed with 40-nm units, their counterparts in DBA/2J mice feature a rough surface, are more granular and consist of 60-nm building blocks. The fact that these strains have different coat colors and distinct susceptibilities to pigment-related eye disease suggest that these differences in size and packing are of biological significance.

  3. Conformation of heparin studied with macromolecular hydrodynamic methods and X-ray scattering.

    Science.gov (United States)

    Pavlov, Georges; Finet, Stéphanie; Tatarenko, Karine; Korneeva, Evgueniya; Ebel, Christine

    2003-08-01

    The hydrodynamic characteristics of heparin fractions in a 0.2 M NaCl solution have been determined. Experimental values varied over the following ranges: the sedimentation coefficient (at 20.0 degrees C), 1.3X-ray scattering for three heparin fractions allowed an estimate for the cross-sectional radius of gyration as 0.43 nm; from the evolution with the macromolecule contour length of the radius of gyration, a value for the Kuhn segment length of 9 +/- 1 nm was obtained. A good correlation is thus observed for the conformational parameters of heparin from hydrodynamic and X-ray scattering data. These values describe heparin as a semi-rigid polymer, with an equilibrium rigidity that is essentially determined by a structural component, the electrostatic contribution being negligible in 0.2 M NaCl.

  4. A triple axis double crystal multiple reflection camera for ultra small angle X-ray scattering

    Science.gov (United States)

    Lambard, Jacques; Lesieur, Pierre; Zemb, Thomas

    1992-06-01

    To extend the domain of small angle X-ray scattering requires multiple reflection crystals to collimate the beam. A double crystal, triple axis X-ray camera using multiple reflection channel cut crystals is described. Procedures for measuring the desmeared scattering cross-section on absolute scale are described as well as the measurement from several typical samples : fibrils of collagen, 0.3 μm diameter silica spheres, 0.16 μm diameter interacting latex spheres, porous lignite coal, liquid crystals in a surfactant-water system, colloidal crystal of 0.32 μm diameter silica spheres. L'extension du domaine de diffusion des rayons-X vers les petits angles demande l'emploi de cristaux à réflexions multiples pour collimater le faisceau. Nous décrivons une caméra à rayons-X à trois axes où les réflexions multiples sont réalisées dans deux cristaux à gorge. Nous donnons ensuite les procédures de déconvolution pour obtenir la section efficace de diffusion en échelle absolue, ainsi que les résultats des mesures effectuées avec plusieurs échantillons typiques : fibres de collagène, sphères de silice de 0,3 μm de diamètre, sphères de latex de 0,16 μm de diamètre en interaction, charbon lignite poreux, cristaux liquides formés dans un système eau-tensioactif, solution colloïdale de sphères de silice de 0,32 μm de diamètre.

  5. X-ray scatter correction method for dedicated breast computed tomography: improvements and initial patient testing

    Science.gov (United States)

    Ramamurthy, Senthil; D'Orsi, Carl J.; Sechopoulos, Ioannis

    2016-02-01

    A previously proposed x-ray scatter correction method for dedicated breast computed tomography was further developed and implemented so as to allow for initial patient testing. The method involves the acquisition of a complete second set of breast CT projections covering 360° with a perforated tungsten plate in the path of the x-ray beam. To make patient testing feasible, a wirelessly controlled electronic positioner for the tungsten plate was designed and added to a breast CT system. Other improvements to the algorithm were implemented, including automated exclusion of non-valid primary estimate points and the use of a different approximation method to estimate the full scatter signal. To evaluate the effectiveness of the algorithm, evaluation of the resulting image quality was performed with a breast phantom and with nine patient images. The improvements in the algorithm resulted in the avoidance of introduction of artifacts, especially at the object borders, which was an issue in the previous implementation in some cases. Both contrast, in terms of signal difference and signal difference-to-noise ratio were improved with the proposed method, as opposed to with the correction algorithm incorporated in the system, which does not recover contrast. Patient image evaluation also showed enhanced contrast, better cupping correction, and more consistent voxel values for the different tissues. The algorithm also reduces artifacts present in reconstructions of non-regularly shaped breasts. With the implemented hardware and software improvements, the proposed method can be reliably used during patient breast CT imaging, resulting in improvement of image quality, no introduction of artifacts, and in some cases reduction of artifacts already present. The impact of the algorithm on actual clinical performance for detection, diagnosis and other clinical tasks in breast imaging remains to be evaluated.

  6. X-ray Scattering Echoes and Ghost Halos from the Intergalactic Medium: Relation to the nature of AGN variability

    CERN Document Server

    Corrales, Lia

    2015-01-01

    X-ray bright quasars might be used to trace dust in the circumgalactic and intergalactic medium through the phenomenon of X-ray scattering, which is observed around Galactic objects whose light passes through a sufficient column of interstellar gas and dust. Of particular interest is the abundance of grey dust larger than 0.1 um, which is difficult to detect at other wavelengths. To calculate X-ray scattering from large grains, one must abandon the traditional Rayleigh-Gans approximation. The Mie solution for the X-ray scattering optical depth of the Universe is ~1%. This presents a great difficulty for distinguishing dust scattered photons from the point source image of Chandra, which is currently unsurpassed in imaging resolution. The variable nature of AGN offers a solution to this problem, as scattered light takes a longer path and thus experiences a time delay with respect to non-scattered light. If an AGN dims significantly (> 3 dex) due to a major feedback event, the Chandra point source image will be ...

  7. High-resolution soft X-ray beamline ADRESS at the Swiss Light Source for resonant inelastic X-ray scattering and angle-resolved photoelectron spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Strocov, V. N., E-mail: vladimir.strocov@psi.ch; Schmitt, T.; Flechsig, U.; Schmidt, T.; Imhof, A.; Chen, Q.; Raabe, J. [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen-PSI (Switzerland); Betemps, R.; Zimoch, D.; Krempasky, J. [Paul Scherrer Institut, CH-5232 Villigen-PSI (Switzerland); Wang, X. [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen-PSI (Switzerland); Institut de Physique de la Matiére Condensé, Ecole Polytechnique Fédéderale de Lausanne (Switzerland); Grioni, M. [Institut de Physique de la Matiére Condensé, Ecole Polytechnique Fédéderale de Lausanne (Switzerland); Piazzalunga, A. [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen-PSI (Switzerland); Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133 Milano (Italy); Patthey, L. [Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen-PSI (Switzerland)

    2010-09-01

    Concepts and technical realization of the high-resolution soft X-ray beamline ADRESS at the Swiss Light Source are described. Optimization of the optical scheme for high resolution and photon flux as well as diagnostics tools and alignment strategies are discussed. The concepts and technical realisation of the high-resolution soft X-ray beamline ADRESS operating in the energy range from 300 to 1600 eV and intended for resonant inelastic X-ray scattering (RIXS) and angle-resolved photoelectron spectroscopy (ARPES) are described. The photon source is an undulator of novel fixed-gap design where longitudinal movement of permanent magnetic arrays controls not only the light polarization (including circular and 0–180° rotatable linear polarizations) but also the energy without changing the gap. The beamline optics is based on the well established scheme of plane-grating monochromator operating in collimated light. The ultimate resolving power E/ΔE is above 33000 at 1 keV photon energy. The choice of blazed versus lamellar gratings and optimization of their profile parameters is described. Owing to glancing angles on the mirrors as well as optimized groove densities and profiles of the gratings, the beamline is capable of delivering high photon flux up to 1 × 10{sup 13} photons s{sup −1} (0.01% BW){sup −1} at 1 keV. Ellipsoidal refocusing optics used for the RIXS endstation demagnifies the vertical spot size down to 4 µm, which allows slitless operation and thus maximal transmission of the high-resolution RIXS spectrometer delivering E/ΔE > 11000 at 1 keV photon energy. Apart from the beamline optics, an overview of the control system is given, the diagnostics and software tools are described, and strategies used for the optical alignment are discussed. An introduction to the concepts and instrumental realisation of the ARPES and RIXS endstations is given.

  8. 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...

  9. Observation of Laser Induced Magnetization Dynamics in Co/Pd Multilayers with Coherent X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Benny

    2012-04-05

    We report on time-resolved coherent x-ray scattering experiments of laser induced magnetization dynamics in Co/Pd multilayers with a high repetition rate optical pump x-ray probe setup. Starting from a multi-domain ground state, the magnetization is uniformly reduced after excitation by an intense 50 fs laser pulse. Using the normalized time correlation, we study the magnetization recovery on a picosecond timescale. The dynamic scattering intensity is separated into an elastic portion at length scales above 65 nm which retains memory of the initial domain magnetization, and a fluctuating portion at smaller length scales corresponding to domain boundary motion during recovery.

  10. Combined multiaxial deformation of polymers with in situ small angle and wide angle x-ray scattering techniques.

    Science.gov (United States)

    Gurun, B; Thio, Y S; Bucknall, D G

    2009-12-01

    A unique multiaxial deformation device has been designed and built specifically for simultaneous synchrotron small angle x-ray scattering (SAXS) and wide angle x-ray scattering (WAXS) measurements. The device can operate at strain rates of 0.0005-0.3 s(-1) and induce strains up to stretch ratios of 5. Measurements can either be made at ambient or at elevated temperatures (up to approximately 150 degrees C), the latter using a heating unit. The capabilities of the device coupled with simultaneous SAXS/WAXS measurements have been demonstrated by studying the morphological evolution of a number of polymers and their nanocomposites.

  11. The 3D-architecture of individual free silver nanoparticles captured by X-ray scattering

    Science.gov (United States)

    Barke, Ingo; Hartmann, Hannes; Rupp, Daniela; Flückiger, Leonie; Sauppe, Mario; Adolph, Marcus; Schorb, Sebastian; Bostedt, Christoph; Treusch, Rolf; Peltz, Christian; Bartling, Stephan; Fennel, Thomas; Meiwes-Broer, Karl-Heinz; Möller, Thomas

    2015-02-01

    The diversity of nanoparticle shapes generated by condensation from gaseous matter reflects the fundamental competition between thermodynamic equilibration and the persistence of metastable configurations during growth. In the kinetically limited regime, intermediate geometries that are favoured only in early formation stages can be imprinted in the finally observed ensemble of differently structured specimens. Here we demonstrate that single-shot wide-angle scattering of femtosecond soft X-ray free-electron laser pulses allows three-dimensional characterization of the resulting metastable nanoparticle structures. For individual free silver particles, which can be considered frozen in space for the duration of photon exposure, both shape and orientation are uncovered from measured scattering images. We identify regular shapes, including species with fivefold symmetry and surprisingly large aspect ratio up to particle radii of the order of 100 nm. Our approach includes scattering effects beyond Born’s approximation and is remarkably efficient—opening up new routes in ultrafast nanophysics and free-electron laser science.

  12. A novel scatter separation method for multi-energy x-ray imaging

    Science.gov (United States)

    Sossin, A.; Rebuffel, V.; Tabary, J.; Létang, J. M.; Freud, N.; Verger, L.

    2016-06-01

    X-ray imaging coupled with recently emerged energy-resolved photon counting detectors provides the ability to differentiate material components and to estimate their respective thicknesses. However, such techniques require highly accurate images. The presence of scattered radiation leads to a loss of spatial contrast and, more importantly, a bias in radiographic material imaging and artefacts in computed tomography (CT). The aim of the present study was to introduce and evaluate a partial attenuation spectral scatter separation approach (PASSSA) adapted for multi-energy imaging. This evaluation was carried out with the aid of numerical simulations provided by an internal simulation tool, Sindbad-SFFD. A simplified numerical thorax phantom placed in a CT geometry was used. The attenuation images and CT slices obtained from corrected data showed a remarkable increase in local contrast and internal structure detectability when compared to uncorrected images. Scatter induced bias was also substantially decreased. In terms of quantitative performance, the developed approach proved to be quite accurate as well. The average normalized root-mean-square error between the uncorrected projections and the reference primary projections was around 23%. The application of PASSSA reduced this error to around 5%. Finally, in terms of voxel value accuracy, an increase by a factor  >10 was observed for most inspected volumes-of-interest, when comparing the corrected and uncorrected total volumes.

  13. A combined solid-state NMR and X-ray crystallography study of the bromide ion environments in triphenylphosphonium bromides.

    Science.gov (United States)

    Burgess, Kevin M N; Korobkov, Ilia; Bryce, David L

    2012-04-27

    Multinuclear ((31)P and (79/81)Br), multifield (9.4, 11.75, and 21.1 T) solid-state nuclear magnetic resonance experiments are performed for seven phosphonium bromides bearing the triphenylphosphonium cation, a molecular scaffold found in many applications in chemistry. This is undertaken to fully characterise their bromine electric field gradient (EFG) tensors, as well as the chemical shift (CS) tensors of both the halogen and the phosphorus nuclei, providing a rare and novel insight into the local electronic environments surrounding them. New crystal structures, obtained from single-crystal X-ray diffraction, are reported for six compounds to aid in the interpretation of the NMR data. Among them is a new structure of BrPPh(4), because the previously reported one was inconsistent with our magnetic resonance data, thereby demonstrating how NMR data of non-standard nuclei can correct or improve X-ray diffraction data. Our results indicate that, despite sizable quadrupolar interactions, (79/81)Br magnetic resonance spectroscopy is a powerful characterisation tool that allows for the differentiation between chemically similar bromine sites, as shown through the range in the characteristic NMR parameters. (35/37)Cl solid-state NMR data, obtained for an analogous phosphonium chloride sample, provide insight into the relationship between unit cell volume, nuclear quadrupolar coupling constants, and Sternheimer antishielding factors. The experimental findings are complemented by gauge-including projector-augmented wave (GIPAW) DFT calculations, which substantiate our experimentally determined strong dependence of the largest component of the bromine CS tensor, δ(11), on the shortest Br-P distance in the crystal structure, a finding that has possible application in the field of NMR crystallography. This trend is explained in terms of Ramsey's theory on paramagnetic shielding. Overall, this work demonstrates how careful NMR studies of underexploited exotic nuclides, such

  14. Anti-scatter grid artifact elimination for high resolution x-ray imaging CMOS detectors

    Science.gov (United States)

    Rana, R.; Singh, V.; Jain, A.; Bednarek, D. R.; Rudin, S.

    2015-03-01

    Higher resolution in dynamic radiological imaging such as angiography is increasingly being demanded by clinicians; however, when standard anti-scatter grids are used with such new high resolution detectors, grid-line artifacts become more apparent resulting in increased structured noise that may overcome the contrast signal improvement benefits of the scatter-reducing grid. Although grid-lines may in theory be eliminated by dividing the image of a patient taken with the grid by a flat-field image taken with the grid obtained prior to the clinical image, unless the remaining additive scatter contribution is subtracted in real-time from the dynamic clinical image sequence before the division by the reference image, severe grid-line artifacts may remain. To investigate grid-line elimination, a stationary Smit Röntgen X-ray grid (line density: 70 lines/cm, grid ratio 13:1) was used with both a 75 micron-pixel CMOS detector and a standard 194 micron-pixel flat panel detector (FPD) to image an artery block insert placed in a modified uniform frontal head phantom for a 20 x 20cm FOV (approximately). Contrast and contrast-to-noise ratio (CNR) were measured with and without scatter subtraction prior to grid-line correction. The fixed pattern noise caused by the grid was substantially higher for the CMOS detector compared to the FPD and caused a severe reduction of CNR. However, when the scatter subtraction corrective method was used, the removal of the fixed pattern noise (grid artifacts) became evident resulting in images with improved CNR.

  15. The Effect of Cholesterol on Short- and Long-Chain Monounsaturated Lipid Bilayers as Determined by Molecular Dynamics Simulations and X-Ray Scattering

    National Research Council Canada - National Science Library

    Kučerka, Norbert; Perlmutter, Jason D; Pan, Jianjun; Tristram-Nagle, Stephanie; Katsaras, John; Sachs, Jonathan N

    2008-01-01

    ...) monounsaturated phospholipids. Bilayer structural information is derived from all-atom molecular dynamics simulations, which are validated via direct comparison to x-ray scattering experiments...

  16. Demonstration of a time-resolved x-ray scattering instrument utilizing the full-repetition rate of x-ray pulses at the Pohang Light Source

    Science.gov (United States)

    Jo, Wonhyuk; Eom, Intae; Landahl, Eric C.; Lee, Sooheyong; Yu, Chung-Jong

    2016-03-01

    We report on the development of a new experimental instrument for time-resolved x-ray scattering (TRXS) at the Pohang Light Source (PLS-II). It operates with a photon energy ranging from 5 to 18 keV. It is equipped with an amplified Ti:sappahire femtosecond laser, optical diagnostics, and laser beam delivery for pump-probe experiments. A high-speed single-element detector and high trigger-rate oscilloscope are used for rapid data acquisition. While this instrument is capable of measuring sub-nanosecond dynamics using standard laser pump/x-ray probe techniques, it also takes advantage of the dense 500 MHz standard fill pattern in the PLS-II storage ring to efficiently record nano-to-micro-second dynamics simultaneously. We demonstrate this capability by measuring both the (fast) impulsive strain and (slower) thermal recovery dynamics of a crystalline InSb sample following intense ultrafast laser excitation. Exploiting the full repetition rate of the storage ring results in a significant improvement in data collection rates compared to conventional bunch-tagging methods.

  17. Protein secondary structure of Green Lynx spider dragline silk investigated by solid-state NMR and X-ray diffraction.

    Science.gov (United States)

    Xu, Dian; Shi, Xiangyan; Thompson, Forrest; Weber, Warner S; Mou, Qiushi; Yarger, Jeffery L

    2015-11-01

    In this study, the secondary structure of the major ampullate silk from Peucetia viridans (Green Lynx) spiders is characterized by X-ray diffraction and solid-state NMR spectroscopy. From X-ray diffraction measurement, β-sheet nanocrystallites were observed and found to be highly oriented along the fiber axis, with an orientational order, fc≈0.98. The size of the nanocrystallites was determined to be on average 2.5nm×3.3nm×3.8nm. Besides a prominent nanocrystalline region, a partially oriented amorphous region was also observed with an fa≈0.89. Two-dimensional (13)C-(13)C through-space and through-bond solid-state NMR experiments were employed to elucidate structure details of P. viridans silk proteins. It reveals that β-sheet nanocrystallites constitutes 40.0±1.2% of the protein and are dominated by alanine-rich repetitive motifs. Furthermore, based upon the NMR data, 18±1% of alanine, 60±2% glycine and 54±2% serine are incorporated into helical conformations. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Deconvoluting Protein (Unfolding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation.

    Directory of Open Access Journals (Sweden)

    Alexandr Nasedkin

    Full Text Available The folding and unfolding of protein domains is an apparently cooperative process, but transient intermediates have been detected in some cases. Such (unfolding intermediates are challenging to investigate structurally as they are typically not long-lived and their role in the (unfolding reaction has often been questioned. One of the most well studied (unfolding pathways is that of Drosophila melanogaster Engrailed homeodomain (EnHD: this 61-residue protein forms a three helix bundle in the native state and folds via a helical intermediate. Here we used molecular dynamics simulations to derive sample conformations of EnHD in the native, intermediate, and unfolded states and selected the relevant structural clusters by comparing to small/wide angle X-ray scattering data at four different temperatures. The results are corroborated using residual dipolar couplings determined by NMR spectroscopy. Our results agree well with the previously proposed (unfolding pathway. However, they also suggest that the fully unfolded state is present at a low fraction throughout the investigated temperature interval, and that the (unfolding intermediate is highly populated at the thermal midpoint in line with the view that this intermediate can be regarded to be the denatured state under physiological conditions. Further, the combination of ensemble structural techniques with MD allows for determination of structures and populations of multiple interconverting structures in solution.

  19. Molecular shapes from small-angle X-ray scattering: extension of the theory to higher scattering angles.

    Science.gov (United States)

    Shneerson, V L; Saldin, D K

    2009-03-01

    A low-resolution shape of a molecule in solution may be deduced from measured small-angle X-ray scattering I(q) data by exploiting a Hankel transform relation between the coefficients of a multipole expansion of the scattered amplitude and corresponding coefficients of the electron density. In the past, the radial part of the Hankel transform has been evaluated with the aid of a truncated series expansion of a spherical Bessel function. It is shown that series truncation may be avoided by analytically performing the radial integral over an entire Bessel function. The angular part of the integral involving a spherical harmonic kernel is performed by quadrature. Such a calculation also allows a convenient incorporation of a molecular hydration shell of constant density intermediate between that of the protein and the solvent. Within this framework, we determine the multipole coefficients of the shape function by optimization of the agreement with experimental data by simulated annealing.

  20. Magnetic hysteresis of an artificial square ice studied by in-plane Bragg x-ray resonant magnetic scattering

    Directory of Open Access Journals (Sweden)

    J. P. Morgan

    2012-06-01

    Full Text Available We report X-ray resonant magnetic scattering studies of a Permalloy artificial square ice nanomagnet array, focussing on the field-driven evolution of the sum Σ and difference Δ signals of left and right handed circularly polarized synchrotron X-rays at different lateral positions in reciprocal space Qx. We used X-rays tuned to the Fe L3 resonance energy, with the scattering plane aligned along a principal symmetry axis of the array. Details of the specular Δ hysteresis curve are discussed, following the system magnetization from an initial demagnetized state. The periodic structure gives rise to distinct peaks at in-plane reciprocal Bragg positions, as shown by fitting Σ(Qx to a model based on a simple unit cell structure. Diffraction order-dependent hysteresis in Δ is observed, indicative of the reordering of magnetization on the system's two interpenetrating sublattices, which markedly deviates from an ideal Ising picture under strong applied fields.

  1. Structure of Amorphous Ferric Arsenate from EXAFS Spectroscopy and Total X-ray Scattering

    Science.gov (United States)

    Mikutta, Christian; Michel, Frederick Marc; Mandaliev, Petar; Kretzschmar, Ruben

    2013-04-01

    Short-range ordered ferric arsenate (FeAsO4 ×nH2O) is a secondary As mineral frequently encountered in acid mine-waste environments. Its structure has been proposed to resemble that of scorodite (FeAsO4×2H2O) in which isolated FeO6 octahedra share corners with four adjacent arsenate (AsO4) tetrahedra in a three-dimensional network (scorodite model). Conversely, short-range ordered ferric arsenate was postulated to consist of single chains of corner-sharing FeO6 octahedra being bridged by arsenate bound in a monodentate binuclear 2C complex (butlerite/fibroferrite model). In order to test the accuracy of both structural models, we synthesized ferric arsenates and analyzed their structure by As and Fe K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy and total X-ray scattering. We found that both As and Fe K-edge EXAFS spectra were most compatible with isolated FeO6 octahedra being bridged by AsO4 tetrahedra (RFe-As= 3.33 ± 0.01 Å). EXAFS shell-fits and reduced pair distribution functions, G(r), indicated a lack of evidence for single corner-sharing FeO6 linkages in ferric arsenate. Wavelet-transform analyses of the Fe K-edge EXAFS spectra of ferric arsenates complemented by shell fitting confirmed Fe atoms at an average distance of 5.3 Å, consistent with crystallographic data of scorodite and in disagreement with the butlerite/fibroferrite model. A scorodite-type local structure of short-range ordered ferric arsenates provides a plausible explanation for their rapid transformation into scorodite in acid mining environments.

  2. PREFACE: REXS 2013 - Workshop on Resonant Elastic X-ray Scattering in Condensed Matter

    Science.gov (United States)

    Beutier, G.; Mazzoli, C.; Yakhou, F.; Brown, S. D.; Bombardi, A.; Collins, S. P.

    2014-05-01

    The aim of this workshop was to bring together experts in experimental and theoretical aspects of resonant elastic x-ray scattering, along with researchers who are new to the field, to discuss important recent results and the fundamentals of the technique. The meeting was a great success, with the first day dedicated to students and new researchers in the field, who received introductory lectures and tutorials. All conference delegates were invited either to make an oral presentation or to present a poster, accompanied by a short talk. The first two papers selected for the REXS13 proceedings (Grenier & Joly and Helliwell) give a basic background to the theory of REXS and applications across a wide range of scientific areas. The remainder of the papers report on some of the latest scientific results obtained by applying the REXS technique to contemporary problems in condensed matter, materials and x-ray physics. It is hoped that these proceedings provide a snapshot of the current status of a vibrant and diverse scientific technique that will be of value not just to those who attended the workshop but also to any other reader with an interest in the subject. Local Scientific Committee REXS13 International Scientific Advisory Committee M Altarelli, European XFEL, Germany F de Bergevin, European Synchrotron Radiation Facility, France J Garcia-Ruiz, Universidad de Zaragoza, Spain A I Goldman, Iowa State University, USA M Goldmann, Institut Nanosciences, France T Schulli, European Synchrotron Radiation Facility, France C R Natoli, Laboratori Nazionali de Frascati, Italy G Materlik, Diamond Light Source, UK L Paolasini, European Synchrotron Radiation Facility, France U Staub, Paul Scherrer Institut, Switzerland K Finkelstein, Cornell University, USA Y Murakami, Photon Factory, Japan REXS13 Local Scientific Committee G Beutier, CNRS Grenoble, France C Mazzoli, Politecnico di Milano, Italy F Yakhou, European Synchrotron Radiation Facility, France S D Brown, XMaS UK CRG

  3. Monte Carlo Simulation of X-rays Multiple Refractive Scattering from Fine Structure Objects imaged with the DEI Technique

    CERN Document Server

    Khromova, A N; Arfelli, F; Menk, R H; Besch, H J; Plothow-Besch, H; 10.1109/NSSMIC.2004.1466758

    2010-01-01

    In this work we present a novel 3D Monte Carlo photon transport program for simulation of multiple refractive scattering based on the refractive properties of X-rays in highly scattering media, like lung tissue. Multiple scattering reduces not only the quality of the image, but contains also information on the internal structure of the object. This information can be exploited utilizing image modalities such as Diffraction Enhanced Imaging (DEI). To study the effect of multiple scattering a Monte Carlo program was developed that simulates multiple refractive scattering of X-ray photons on monodisperse PMMA (poly-methyl-methacrylate) microspheres representing alveoli in lung tissue. Eventually, the results of the Monte Carlo program were compared to the measurements taken at the SYRMEP beamline at Elettra (Trieste, Italy) on special phantoms showing a good agreement between both data.

  4. NATURAL CYCLOPENTANOID CYANOHYDRIN GLYCOSIDES .13. STRUCTURE DETERMINATION OF NATURAL EPOXYCYCLOPENTANES BY X-RAY CRYSTALLOGRAPHY AND NMR-SPECTROSCOPY

    DEFF Research Database (Denmark)

    Olafsdottir, E. S.; Sorensen, A. M.; Cornett, Claus;

    1991-01-01

    nonannellated cyclopentane derivatives. The new glucosides were shown, by NMR spectroscopy (including NOE measurements), X-ray crystallography, and enzymatic hydrolysis to the corresponding cyanohydrins, to be (1R,2R,3R,4R)- and (1S,2S,3S,4S)-1-(beta-D-glucopyranosyloxy)-2,3-epoxy-4-hydroxycyclopenta ne-1...... side as the three oxygen substituents. In addition to the glucosides, two amides, (1S,2S,3R,4R)-2,3-epoxy-1,4-dihydroxycyclopentane-1-carboxamide and (1S,4R)-1,4-dihydroxy-2-cyclopentene-1-carboxamide, were isolated from P. suberosa and characterized; the amides are probably artefacts...

  5. Retro-Curcuminoids as Mimics of Dehydrozingerone and Curcumin: Synthesis, NMR, X-ray, and Cytotoxic Activity

    OpenAIRE

    2016-01-01

    Curcumin and its derivatives have been extensively studied for their remarkable medicinal properties, and their chemical synthesis has been an important step in the optimization of well-controlled laboratory production. A family of new compounds that mimic the structure of curcumin and curcuminoids, here named retro-curcuminoids (7–14), was synthesized and characterized using 1D 1H- and 13C-NMR, IR, and mass spectrometry; the X-ray structure of 7, 8, 9, 10, 12, 13, and 14 are reported here fo...

  6. Calculation of accurate small angle X-ray scattering curves from coarse-grained protein models

    Directory of Open Access Journals (Sweden)

    Stovgaard Kasper

    2010-08-01

    Full Text Available Abstract Background Genome sequencing projects have expanded the gap between the amount of known protein sequences and structures. The limitations of current high resolution structure determination methods make it unlikely that this gap will disappear in the near future. Small angle X-ray scattering (SAXS is an established low resolution method for routinely determining the structure of proteins in solution. The purpose of this study is to develop a method for the efficient calculation of accurate SAXS curves from coarse-grained protein models. Such a method can for example be used to construct a likelihood function, which is paramount for structure determination based on statistical inference. Results We present a method for the efficient calculation of accurate SAXS curves based on the Debye formula and a set of scattering form factors for dummy atom representations of amino acids. Such a method avoids the computationally costly iteration over all atoms. We estimated the form factors using generated data from a set of high quality protein structures. No ad hoc scaling or correction factors are applied in the calculation of the curves. Two coarse-grained representations of protein structure were investigated; two scattering bodies per amino acid led to significantly better results than a single scattering body. Conclusion We show that the obtained point estimates allow the calculation of accurate SAXS curves from coarse-grained protein models. The resulting curves are on par with the current state-of-the-art program CRYSOL, which requires full atomic detail. Our method was also comparable to CRYSOL in recognizing native structures among native-like decoys. As a proof-of-concept, we combined the coarse-grained Debye calculation with a previously described probabilistic model of protein structure, TorusDBN. This resulted in a significant improvement in the decoy recognition performance. In conclusion, the presented method shows great promise for

  7. Scanning of Adsorption Hysteresis In Situ with Small Angle X-Ray Scattering

    Science.gov (United States)

    Mitropoulos, Athanasios Ch.; Favvas, Evangelos P.; Stefanopoulos, Konstantinos L.; Vansant, Etienne F.

    2016-01-01

    Everett’s theorem-6 of the domain theory was examined by conducting adsorption in situ with small angle x-ray scattering (SAXS) supplemented by the contrast matching technique. The study focuses on the spectrum differences of a point to which the system arrives from different scanning paths. It is noted that according to this theorem at a common point the system has similar macroscopic properties. Furthermore it was examined the memory string of the system. We concluded that opposite to theorem-6: a) at a common point the system can reach in a finite (not an infinite) number of ways, b) a correction for the thickness of the adsorbed film prior to capillary condensation is necessary, and c) the scattering curves although at high-Q values coincide, at low-Q values are different indicating different microscopic states. That is, at a common point the system holds different metastable states sustained by hysteresis effects. These metastable states are the ones which highlight the way of a system back to a return point memory (RPM). Entering the hysteresis loop from different RPMs different histories are implanted to the paths toward the common point. Although in general the memory points refer to relaxation phenomena, they also constitute a characteristic feature of capillary condensation. Analogies of the no-passing rule and the adiabaticity assumption in the frame of adsorption hysteresis are discussed. PMID:27741263

  8. High-resolution x-ray scattering studies of charge ordering in highly correlated electron systems

    CERN Document Server

    Ghazi, M E

    2002-01-01

    addition, another very weak satellites with wavevector (1/2, 1, 1/2) were observed possibly due to spin ordering. two-dimensional in nature both by measurements of their correlation lengths and by measurement of the critical exponents of the charge stripe melting transition with an anomaly at x = 0.25. The results show by decreasing the hole concentration from the x = 0.33 to 0.2, the well-correlated charge stripes change to a glassy state at x = 0.25. The electronic transition into the charge stripe phase is second-order without any corresponding structural transition. Above the second-order transition critical scattering was observed due to fluctuations into the charge stripe phase. In a single-crystal of Nd sub 1 sub / sub 2 Sr sub 1 sub / sub 2 MnO sub 3 a series of phase transitions were observed using high-resolution synchrotron X-ray scattering. Above the charge ordering transition temperature, T sub C sub O , by measuring the peak profiles of Bragg reflections as a function of temperature, it was foun...

  9. Real-Time Small-Angle X-ray Scattering from Rubber-Modified Thermoplastics

    Science.gov (United States)

    Bubeck, R. A.

    1997-03-01

    Real-time small-angle X-ray scattering (RTSAXS) studies have been performed on a series of rubber-modified thermoplastics. These include: High Impact Polystyrene (HIPS), (2) Acrylonitrile Butadiene Styrene copolymers (ABS), (3) weatherable ABS-type resins containing grafted rubber particles derived from acrylonitrile ethylene styrene (AES) or acrylonitrile styrene acrylate (ASA), and (4) rubber-toughened syndiotactic polystyrene (sPS). Scattering patterns were measured at successive time intervals of from 2 to 3 ms. and were analyzed to determine the plastic strain due to crazing. Simultaneous measurements of the absorption of the primary beam by the sample allowed the total plastic strain to be computed. The plastic strain due to other deformation mechanisms (e.g. particle cavitation and macroscopic shear deformation) was determined by the difference. The contribution from microscopic shear deformation was determined from video-based optical data obtained along with the RTSAXS data. One example is an experimental AES system in an SAN matrix with insufficient gel particle graft which was found to lack substantial contributions from crazing and microshear yielding mechanisms. Manipulating the graft and cross linking levels in the AES system results in a ten-fold increase in microshear yield, but not much additional cavitation and crazing.

  10. Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements

    Energy Technology Data Exchange (ETDEWEB)

    Sedlak, Steffen M.; Bruetzel, Linda K.; Lipfert, Jan

    2017-03-29

    A new model is proposed for the measurement errors incurred in typical small-angle X-ray scattering (SAXS) experiments, which takes into account the setup geometry and physics of the measurement process. The model accurately captures the experimentally determined errors from a large range of synchrotron and in-house anode-based measurements. Its most general formulation gives for the variance of the buffer-subtracted SAXS intensity σ2(q) = [I(q) + const.]/(kq), whereI(q) is the scattering intensity as a function of the momentum transferq;kand const. are fitting parameters that are characteristic of the experimental setup. The model gives a concrete procedure for calculating realistic measurement errors for simulated SAXS profiles. In addition, the results provide guidelines for optimizing SAXS measurements, which are in line with established procedures for SAXS experiments, and enable a quantitative evaluation of measurement errors.

  11. Molecular Packing of Amphiphilic Nanosheets Resolved by X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Harutyunyan, Boris; Dannenhoffer, Adam; Kewalramani, Sumit; Aytun, Taner; Fairfield, Daniel J.; Stupp, Samuel I.; Bedzyk, Michael J. (NWU)

    2016-12-29

    Molecular packing in light harvesting 2D assemblies of photocatalytic materials is a critical factor for solar-to-fuel conversion efficiency. However, structure–function correlations have yet to be fully established. This is partly due to the difficulties in extracting the molecular arrangements from the complex 3D powder averaged diffraction patterns of 2D lattices, obtained via in situ wide-angle X-ray scattering. Here, we develop a scattering theory formalism and couple it with a simple geometrical model for the molecular shape of chromophore 9-methoxy-N-(sodium hexanoate)perylene-3,4-dicarboximide (MeO-PMI) used in our study. This generally applicable method fully reproduces the measured diffraction pattern including the asymmetric line shapes for the Bragg reflections and yields the molecular packing arrangement within a 2D crystal structure with a remarkable degree of detail. We find an approximate edge-centered herringbone structure for the PMI fused aromatic rings and ordering of the carboxypentyl chains above and below the nanosheets. Such a packing arrangement differs from the more symmetric face-to-face orientation of the unsubstituted PMI rings. This structural difference is correlated to our measurement of the reduced catalytic performance of MeO-PMI nanosheets as compared to the mesoscopically similar unsubstituted PMI assemblies.

  12. Structural evaluation of an amyloid fibril model using small-angle x-ray scattering

    Science.gov (United States)

    Dahal, Eshan; Choi, Mina; Alam, Nadia; Bhirde, Ashwinkumar A.; Beaucage, Serge L.; Badano, Aldo

    2017-08-01

    Amyloid fibrils are highly structured protein aggregates associated with a wide range of diseases including Alzheimer’s and Parkinson’s. We report a structural investigation of an amyloid fibril model prepared from a commonly used plasma protein (bovine serum albumin (BSA)) using small-angle x-ray scattering (SAXS) technique. As a reference, the size estimates from SAXS are compared to dynamic light scattering (DLS) data and the presence of amyloid-like fibrils is confirmed using Congo red absorbance assay. Our SAXS results consistently show the structural transformation of BSA from spheroid to rod-like elongated structures during the fibril formation process. We observe the elongation of fibrils over two months with fibril length growing from 35.9  ±  3.0 nm to 51.5  ±  2.1 nm. Structurally metastable fibrils with distinct SAXS profiles have been identified. As proof of concept, we demonstrate the use of such distinct SAXS profiles to detect fibrils in the mixture solutions of two species by estimating their volume fractions. This easily detectable and well-characterized amyloid fibril model from BSA can be readily used as a control or standard reference to further investigate SAXS applications in the detection of structurally diverse amyloid fibrils associated with protein aggregation diseases.

  13. Characterization of Physically and Chemically Separated Athabasca Asphaltenes Using Small-Angle X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Amundaraín Hurtado, Jesús Leonardo; Chodakowski, Martin; Long, Bingwen; Shaw, John M. (Alberta)

    2012-02-07

    Athabasca asphaltenes were characterized using small-angle X-ray scattering (SAXS). Two methods were used to separate asphaltenes from the Athabasca bitumen: namely, chemical separation by precipitation with n-pentane and physical separation by nanofiltration using a zirconia membrane with a 20 nm average pore size. The permeate and chemically separated samples were diluted in 1-methylnaphtalene and n-dodecane prior to SAXS measurements. The temperature and asphaltene concentration ranges were 50-310 C and 1-10.4 wt %, respectively. Model-independent analysis of SAXS data provided the radius of gyration and the scattering coefficients. Model-dependent fits provided size distributions for asphaltenes assuming that they are dense and spherical. Model-independent analysis for physically and chemically separated asphaltenes showed significant differences in nominal size and structure, and the temperature dependence of structural properties. The results challenge the merits of using chemically separated asphaltene properties as a basis for asphaltene property prediction in hydrocarbon resources. While the residuals for model-dependent fits are small, the results are inconsistent with the structural parameters obtained from model-independent analysis.

  14. Structure of the Lassa virus nucleoprotein revealed by X-ray crystallography, small-angle X-ray scattering, and electron microscopy.

    Science.gov (United States)

    Brunotte, Linda; Kerber, Romy; Shang, Weifeng; Hauer, Florian; Hass, Meike; Gabriel, Martin; Lelke, Michaela; Busch, Carola; Stark, Holger; Svergun, Dmitri I; Betzel, Christian; Perbandt, Markus; Günther, Stephan

    2011-11-04

    The nucleoprotein (NP) of Lassa virus (LASV) strain AV was expressed in a recombinant baculovirus system. The crystal structure of full-length NP was solved at a resolution of 2.45 Å. The overall fold corresponds to that of NP of LASV strain Josiah (Qi, X., Lan, S., Wang, W., Schelde, L. M., Dong, H., Wallat, G. D., Ly, H., Liang, Y., and Dong, C. (2010) Nature 468, 779-783) with a root mean square deviation of 0.67 Å for all atoms (6.3% difference in primary sequence). As the packing in the crystal offers two different trimer architectures for the biological assembly, the quaternary structure of NP in solution was determined by small-angle x-ray scattering and EM. After classification and averaging of >6000 EM raw images, trimeric centrosymmetric structures were obtained, which correspond in size and shape to one trimer in the crystal structure formed around a crystallographic 3-fold rotation axis (symmetric trimer). The symmetric trimer is also a good model for the small-angle x-ray scattering data and could be well embedded into the ab initio model. The N-terminal domain of NP contains a deep nucleotide-binding cavity that has been proposed to bind cellular cap structures for priming viral mRNA synthesis. All residues implicated in m(7)GpppN binding were exchanged, and the transcription/replication phenotype of the NP mutant was tested using a LASV replicon system. None of the mutants showed a specific defect in mRNA expression; most were globally defective in RNA synthesis. In conclusion, we describe the full-length crystal structure and the quaternary structure in solution of LASV NP. The nucleotide-binding pocket of NP could not be assigned a specific role in viral mRNA synthesis.

  15. GeV photons from up-scattering of supernova shock breakout X-rays by an outside GRB jet

    CERN Document Server

    Wang, X Y; Wang, Xiang-Yu; Meszaros, Peter

    2006-01-01

    Shock breakout X-ray emission has been reported for the first time from a supernova connected with a gamma-ray burst, namely GRB060218/SN2006aj. The gamma-ray emission and the power-law decaying X-ray afterglow are ascribed to a highly relativistic jet, while the thermal soft X-rays are thought to be produced when the radiation-dominated shock breaks from the optically thick stellar wind. We study the inverse Compton emission of the breakout thermal soft X-rays scattered by relativistic electrons in the jet forward shock, which is is expected to be at larger radii than the breakout shock. This IC emission produces sub-GeV to GeV photons, which may be detectable by GLAST. The detection of such GeV photons simultaneously with the supernova shock breakout emission would give evidence for the presence of a GRB jet ahead of the shock while the shock is breaking out. The anisotropic scattering between the X-rays and relativistic electrons may lead to large angle emission outside of the jet opening angle. This has i...

  16. Towards an integrative structural biology approach: combining Cryo-TEM, X-ray crystallography, and NMR.

    Science.gov (United States)

    Lengyel, Jeffrey; Hnath, Eric; Storms, Marc; Wohlfarth, Thomas

    2014-09-01

    Cryo-transmission electron microscopy (Cryo-TEM) and particularly single particle analysis is rapidly becoming the premier method for determining the three-dimensional structure of protein complexes, and viruses. In the last several years there have been dramatic technological improvements in Cryo-TEM, such as advancements in automation and use of improved detectors, as well as improved image processing techniques. While Cryo-TEM was once thought of as a low resolution structural technique, the method is currently capable of generating nearly atomic resolution structures on a routine basis. Moreover, the combination of Cryo-TEM and other methods such as X-ray crystallography, nuclear magnetic resonance spectroscopy, and molecular dynamics modeling are allowing researchers to address scientific questions previously thought intractable. Future technological developments are widely believed to further enhance the method and it is not inconceivable that Cryo-TEM could become as routine as X-ray crystallography for protein structure determination.

  17. 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.

  18. Studying nanostructure gradients in injection-molded polypropylene/montmorillonite composites by microbeam small-angle x-ray scattering

    DEFF Research Database (Denmark)

    Stribeck, Norbert; Schneider, Konrad; Zeinolebadi, Ahmad;

    2014-01-01

    The core–shell structure in oriented cylindrical rods of polypropylene (PP) and nanoclay composites (NCs) from PP and montmorillonite (MMT) is studied by microbeam small-angle x-ray scattering (SAXS). The structure of neat PP is almost homogeneous across the rod showing regular semicrystalline st...

  19. In-situ real-time x-ray scattering for probing the processing-structure-performance relation

    KAUST Repository

    Smilgies, Detlef-M.

    2014-01-01

    © 2014 Materials Research Society. In-situ X-ray scattering methodology is discussed, in order to analyze the microstructure development of soft functional materials during coating, annealing, and drying processes in real-time. The relevance of a fundamental understanding of coating processes for future industrial production is pointed out.

  20. Ultrasmall, small, and wide angle X-ray scattering analysis of diatom biosilica : interspecific differences in fractal properties

    NARCIS (Netherlands)

    Vrieling, EG; Beelen, TPM; Sun, QY; Hazelaar, S; van Santen, RA; Gieskes, WWC

    2004-01-01

    Freshly prepared acid-cleaned biosilica of 21 different diatom species was studied using a combination of wide, small, and ultrasmall angle X-ray scattering analysis (WAXS, SAXS, and USAXS) in order to determine whether the structural and fractal properties from the subnanometer level up to dimensio

  1. Parallel GPGPU Evaluation of Small Angle X-ray Scattering Profiles in a Markov Chain Monte Carlo Framework

    DEFF Research Database (Denmark)

    Antonov, Lubomir Dimitrov; Andreetta, Christian; Hamelryck, Thomas Wim

    2013-01-01

    Inference of protein structure from experimental data is of crucial interest in science, medicine and biotechnology. Low-resolution methods, such as small angle X-ray scattering (SAXS), play a major role in investigating important biological questions regarding the structure of proteins in soluti......, and implements a caching procedure employed in the partial forward model evaluations within a Markov chain Monte Carlo framework....

  2. An experiment of X-ray photon–photon elastic scattering with a Laue-case beam collider

    Directory of Open Access Journals (Sweden)

    T. Yamaji

    2016-12-01

    Full Text Available We report a search for photon–photon elastic scattering in vacuum in the X-ray region at an energy in the center of mass system of ωcms=6.5keV for which the QED cross section is σQED=2.5×10−47m2. An X-ray beam provided by the SACLA X-ray Free Electron Laser is split and the two beamlets are made to collide at right angle, with a total integrated luminosity of (1.24±0.08×1028m−2. No signal X rays from the elastic scattering that satisfy the correlation between energy and scattering angle were detected. We obtain a 95% C.L. upper limit for the scattering cross section of 1.9×10−27m2 at ωcms=6.5keV. The upper limit is the lowest upper limit obtained so far by keV experiments.

  3. Parallel GPGPU Evaluation of Small Angle X-ray Scattering Profiles in a Markov Chain Monte Carlo Framework

    DEFF Research Database (Denmark)

    Antonov, Lubomir Dimitrov; Andreetta, Christian; Hamelryck, Thomas Wim

    2013-01-01

    Inference of protein structure from experimental data is of crucial interest in science, medicine and biotechnology. Low-resolution methods, such as small angle X-ray scattering (SAXS), play a major role in investigating important biological questions regarding the structure of proteins in solution...

  4. Resonant Inelastic X-ray Scattering of Rare-Earth and CopperSystems

    Energy Technology Data Exchange (ETDEWEB)

    Kvashnina, Kristina [Uppsala Univ. (Sweden)

    2007-07-11

    Rare earths and copper systems were studied using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). The use of monochromased synchotron radiation and improved energy resolution for RIXS made possible to obtain valuable information on the electronic structure in 4f, 5f and 3d systems. Experimental results for rare-earths (Ho, Gd, Cm, U, Np, Pu) were analyzed by atomic multiplet theory based on the Hartree-Fock calculations. The inelastic scattering structures in RIXS spectra at 5d edge of actinides found to be sensitive to actinide oxidation states in different systems. Comparison of experimental and calculated Cm 5d RIXS spectra gave direct information about valency of the 248-curium isotope in oxide. Scientific understanding of processes that control chemical changes of radioactive species from spent fuel is improved by studying interactions of actinide ions (U, Np, Pu) with corroded iron surfaces. RIXS measurements at the actinide 5d edge found to be sensitive to actinide oxidation states in different systems. Comparison of experimental and calculated Cm 5d RIXS spectra gave direct information about valency of the 248 curium isotope in oxide. Scientific understanding of processes that control chemical changes of radioactive species from spent fuel is improved by studying interactions of actinide ions (U, Np, Pu) with corroded iron surfaces. RIXS measurements at the actinide 5d edge indicate the reduction of U(VI), NP(V) and Pu(VI) to U(IV), Np(IV) and Pu(IV) by presence of iron ions. This thesis is also addressed to the study of changes in the electronic structure of copper films during interaction with synthetic groundwater solutions. The surface modifications induced by chemical reactions of oxidized 100 Angstrom Cu films with CL-, SO42- and HCO3- ions in aqueous solutions with various concentrations were studied in-situ using XAS. It was shown that the pH value, the

  5. Size And Shape of Detergent Micelles Determined By Small-Angle X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Lipfert, Jan; Columbus, Linda; Chu, Vincent B.; Lesley, Scott A.; Doniach, Sebastian; /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept. /SLAC, SSRL /Pasteur Inst., Paris /Scripps Res. Inst. /Novartis Res. Found.

    2009-04-29

    We present a systematic analysis of the aggregation number and shape of micelles formed by nine detergents commonly used in the study of membrane proteins. Small-angle X-ray scattering measurements are reported for glucosides with 8 and 9 alkyl carbons (OG/NG), maltosides and phosphocholines with 10 and 12 alkyl carbons (DM/DDM and FC-10/FC-12), 1,2-dihexanoyl-sn-glycero-phosphocholine (DHPC), 1-palmitoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] (LPPG), and 3-[(3-cholamidopropyl)dimethylammonio]-1-propane sulfonate (CHAPS). The SAXS intensities are well described by two-component ellipsoid models, with a dense outer shell corresponding to the detergent head groups and a less electron dense hydrophobic core. These models provide an intermediate resolution view of micelle size and shape. In addition, we show that Guinier analysis of the forward scattering intensity can be used to obtain an independent and model-free measurement of the micelle aggregation number and radius of gyration. This approach has the advantage of being easily generalizable to protein-detergent complexes, where simple geometric models are inapplicable. Furthermore, we have discovered that the position of the second maximum in the scattering intensity provides a direct measurement of the characteristic head group-head group spacing across the micelle core. Our results for the micellar aggregation numbers and dimensions agree favorably with literature values as far as they are available. We de novo determine the shape of FC-10, FC-12, DM, LPPG, and CHAPS micelles and the aggregation numbers of FC-10 and OG to be ca. 50 and 250, respectively. Combined, these data provide a comprehensive view of the determinants of micelle formation and serve as a starting point to correlate detergent properties with detergent-protein interactions.

  6. Sub-100-ps structural dynamics of horse heart myoglobin probed by time-resolved X-ray solution scattering

    Science.gov (United States)

    Oang, Key Young; Kim, Kyung Hwan; Jo, Junbeom; Kim, Youngmin; Kim, Jong Goo; Kim, Tae Wu; Jun, Sunhong; Kim, Jeongho; Ihee, Hyotcherl

    2015-01-01

    Here we report sub-100-ps structural dynamics of horse heart myoglobin revealed by time-resolved X-ray solution scattering. By applying the time-slicing scheme to the measurement and subsequent deconvolution, we investigate the protein structural dynamics that occur faster than the X-ray temporal pulse width of synchrotrons (~100 ps). The singular value decomposition analysis of the experimental data suggests that two structurally distinguishable intermediates are formed within 100 ps. In particular, the global structural change occurring on the time scale of 70 ps is identified. PMID:25678733

  7. Visualizing a protein quake with time-resolved X-ray scattering at a free-electron laser

    DEFF Research Database (Denmark)

    Arnlund, David; Johansson, Linda C.; Wickstrand, Cecilia;

    2014-01-01

    We describe a method to measure ultrafast protein structural changes using time-resolved wide-angle X-ray scattering at an X-ray free-electron laser. We demonstrated this approach using multiphoton excitation of the Blastochloris viridis photosynthetic reaction center, observing an ultrafast global...... conformational change that arises within picoseconds and precedes the propagation of heat through the protein. This provides direct structural evidence for a 'protein quake': the hypothesis that proteins rapidly dissipate energy through quake-like structural motions....

  8. A setup for resonant inelastic soft x-ray scattering on liquids at free electron laser light sources

    Energy Technology Data Exchange (ETDEWEB)

    Kunnus, Kristjan; Schreck, Simon; Foehlisch, Alexander [Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin GmbH, Albert-Einstein-Strasse 15, 12489 Berlin (Germany); Institut fuer Physik und Astronomie, Universitaet Potsdam, Karl-Liebknecht-Strasse 24/25, 14476 Potsdam (Germany); Rajkovic, Ivan; Quevedo, Wilson; Gruebel, Sebastian; Scholz, Mirko [IFG Structural Dynamics of (Bio)chemical Systems, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37070 Goettingen (Germany); Eckert, Sebastian; Beye, Martin; Suljoti, Edlira; Weniger, Christian; Wernet, Philippe [Institute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz-Zentrum Berlin GmbH, Albert-Einstein-Strasse 15, 12489 Berlin (Germany); Kalus, Christian [Abteilung Betrieb Beschleuniger BESSYII, Helmholtz-Zentrum Berlin GmbH, Albert-Einstein-Strasse 15, 12489 Berlin (Germany); Nordlund, Dennis [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Zhang, Wenkai; Hartsock, Robert W.; Gaffney, Kelly J. [PULSE Institute, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Schlotter, William F.; Turner, Joshua J. [Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Kennedy, Brian [MAX-lab, PO Box 118, 221 00 Lund (Sweden); and others

    2012-12-15

    We present a flexible and compact experimental setup that combines an in vacuum liquid jet with an x-ray emission spectrometer to enable static and femtosecond time-resolved resonant inelastic soft x-ray scattering (RIXS) measurements from liquids at free electron laser (FEL) light sources. We demonstrate the feasibility of this type of experiments with the measurements performed at the Linac Coherent Light Source FEL facility. At the FEL we observed changes in the RIXS spectra at high peak fluences which currently sets a limit to maximum attainable count rate at FELs. The setup presented here opens up new possibilities to study the structure and dynamics in liquids.

  9. Ordering phenomena in FeCo-films and Fe/Cr-multilayers: an X-ray and neutron scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Nickel, B.

    2001-07-01

    The following topics are covered: critical phenomena in thin films, critical adsorption, finite size scaling, FeCo Ising model, kinematical scattering theory for thin films, FeCo thin films, growth and characterisation of single crystal FeCo thin films, X-ray study of ordering in FeCo films, antiferromagnetic coupling in Fe/Cr multilayers, neutron scattering on Fe/Cr multilayers (WL)

  10. Electronic Structure of the ID Conductor K0.3MoO3 studied using resonant inelastic x-ray scattering and soft x-ray emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Learmonth, T.; Glans, P.-A.; McGuinness, C.; Plucinski, L.; Zhang, Y.; Guo, J.-H.; Greenblatt, M.; Smith, K.E.

    2008-09-24

    The electronic structure of the quasi-one dimensional conductor K{sub 0.3}MoO{sub 3} has been measured using high resolution resonant inelastic x-ray scattering and x-ray absorption spectroscopy. The data is compared to that from the related two dimensional insulator {alpha}-MoO{sub 3}. Scattering features are observed from both oxides that are explained in terms of the band momentum selectivity of the scattering process, allowing a comparison of the scattering data to recent band structure calculations.

  11. Antiferroelectric surface layers in a liquid crystal as observed by synchrotron x-ray scattering

    DEFF Research Database (Denmark)

    Gramsbergen, E. F.; de Jeu, W. H.; Als-Nielsen, Jens Aage

    1986-01-01

    The X-ray reflectivity form the surface of a liquid crystal with terminally polar (cyano substituted) molecules has been studied using a high-resolution triple-axis X-ray spectrometer in combination with a synchrotron source. It is demonstrated that at the surface of the smectic Al phase a few...

  12. Synthesis of Novel Amphiphilic Azobenzenes and X-ray Scattering Studies of Their Langmuir Monolayers

    DEFF Research Database (Denmark)

    Sørensen, Thomas Just; Kjær, Kristian; Breiby, Dag Werner;

    2008-01-01

    . At the air-water interface, the amphiphilic azobenzenes form noncrystalline but stable Langmuir films that display an unusual reversible monolayer collapse close to 35 mN/m. The structures and phase transitions were studied by X-ray reflectivity (XR) and grazing-incidence X-ray diffraction, both utilizing...

  13. Method to study sample object size limit of small-angle x-ray scattering computed tomography

    Science.gov (United States)

    Choi, Mina; Ghammraoui, Bahaa; Badal, Andreu; Badano, Aldo

    2016-03-01

    Small-angle x-ray scattering (SAXS) imaging is an emerging medical tool that can be used for in vivo detailed tissue characterization and has the potential to provide added contrast to conventional x-ray projection and CT imaging. We used a publicly available MC-GPU code to simulate x-ray trajectories in a SAXS-CT geometry for a target material embedded in a water background material with varying sample sizes (1, 3, 5, and 10 mm). Our target materials were water solution of gold nanoparticle (GNP) spheres with a radius of 6 nm and a water solution with dissolved serum albumin (BSA) proteins due to their well-characterized scatter profiles at small angles and highly scattering properties. The background material was water. Our objective is to study how the reconstructed scatter profile degrades at larger target imaging depths and increasing sample sizes. We have found that scatter profiles of the GNP in water can still be reconstructed at depths up to 5 mm embedded at the center of a 10 mm sample. Scatter profiles of BSA in water were also reconstructed at depths up to 5 mm in a 10 mm sample but with noticeable signal degradation as compared to the GNP sample. This work presents a method to study the sample size limits for future SAXS-CT imaging systems.

  14. X-ray scattering of periodic and graded multilayers: comparison of experiments to simulations from surface microroughness characterization

    CERN Document Server

    Salmaso, B; Canestrari, R; Raimondi, L; 10.1016/j.nima.2012.10.104

    2013-01-01

    To enhance the reflectivity of X-ray mirrors beyond the critical angle, multilayer coatings are required. Interface imperfections in the multilayer growth process are known to cause non-specular scattering and degrade the mirror optical performance; therefore, it is important to predict the amount of X-ray scattering from the rough topography of the outer surface of the coating, which can be directly measured, e.g., with an Atomic Force Microscope (AFM). This kind of characterization, combined with X-ray reflectivity measurements to assess the deep multilayer stack structure, can be used to model the layer roughening during the growth process via a well-known roughness evolution model. In this work, X-ray scattering measurements are performed and compared with simulations obtained from the modeled interfacial Power Spectral Densities (PSDs) and the modeled Crossed Spectral Densities for all the couples of interfaces. We already used this approach in a previous work for periodic multilayers; we now show how th...

  15. Operando Grazing Incidence Small-Angle X-ray Scattering/X-ray Diffraction of Model Ordered Mesoporous Lithium-Ion Battery Anodes.

    Science.gov (United States)

    Bhaway, Sarang M; Qiang, Zhe; Xia, Yanfeng; Xia, Xuhui; Lee, Byeongdu; Yager, Kevin G; Zhang, Lihua; Kisslinger, Kim; Chen, Yu-Ming; Liu, Kewei; Zhu, Yu; Vogt, Bryan D

    2017-02-28

    Emergent lithium-ion (Li(+)) batteries commonly rely on nanostructuring of the active electrode materials to decrease the Li(+) ion diffusion path length and to accommodate the strains associated with the insertion and de-insertion of Li(+), but in many cases these nanostructures evolve during electrochemical charging-discharging. This change in the nanostructure can adversely impact performance, and challenges remain regarding how to control these changes from the perspective of morphological design. In order to address these questions, operando grazing-incidence small-angle X-ray scattering and X-ray diffraction (GISAXS/GIXD) were used to assess the structural evolution of a family of model ordered mesoporous NiCo2O4 anode films during battery operation. The pore dimensions were systematically varied and appear to impact the stability of the ordered nanostructure during the cycling. For the anodes with small mesopores (≈9 nm), the ordered nanostructure collapses during the first two charge-discharge cycles, as determined from GISAXS. This collapse is accompanied by irreversible Li-ion insertion within the oxide framework, determined from GIXD and irreversible capacity loss. Conversely, anodes with larger ordered mesopores (17-28 nm) mostly maintained their nanostructure through the first two cycles with reversible Li-ion insertion. During the second cycle, there was a small additional deformation of the mesostructure. This preservation of the ordered structure lead to significant improvement in capacity retention during these first two cycles; however, a gradual loss in the ordered nanostructure from continuing deformation of the ordered structure during additional charge-discharge cycles leads to capacity decay in battery performance. These multiscale operando measurements provide insight into how changes at the atomic scale (lithium insertion and de-insertion) are translated to the nanostructure during battery operation. Moreover, small changes in the

  16. Dynamic Conformations of Nucleosome Arrays in Solution from Small-Angle X-ray Scattering

    Science.gov (United States)

    Howell, Steven C.

    Chromatin conformation and dynamics remains unsolved despite the critical role of the chromatin in fundamental genetic functions such as transcription, replication, and repair. At the molecular level, chromatin can be viewed as a linear array of nucleosomes, each consisting of 147 base pairs (bp) of double-stranded DNA (dsDNA) wrapped around a protein core and connected by 10 to 90 bp of linker dsDNA. Using small-angle X-ray scattering (SAXS), we investigated how the conformations of model nucleosome arrays in solution are modulated by ionic condition as well as the effect of linker histone proteins. To facilitate ensemble modeling of these SAXS measurements, we developed a simulation method that treats coarse-grained DNA as a Markov chain, then explores possible DNA conformations using Metropolis Monte Carlo (MC) sampling. This algorithm extends the functionality of SASSIE, a program used to model intrinsically disordered biological molecules, adding to the previous methods for simulating protein, carbohydrates, and single-stranded DNA. Our SAXS measurements of various nucleosome arrays together with the MC generated models provide valuable solution structure information identifying specific differences from the structure of crystallized arrays.

  17. X-ray scattering and magnetic susceptibility study of doped CuGeO sub 3

    CERN Document Server

    Wang, Y J; Lamarra, S C; Chou, F C; Kim, Y J; Masuda, T; Tsukada, I; Uchinokura, K; Birgeneau, R J

    2003-01-01

    We report comprehensive synchrotron x-ray scattering and magnetic susceptibility studies of the doped spin-Peierls materials Cu sub 1 sub - sub x Zn sub x GeO sub 3 and CuGe sub 1 sub - sub y Si sub y O sub 3. Temperature versus dopant concentration phase diagrams are mapped out for both Zn and Si dopants. The phase diagrams of both Cu sub 1 sub - sub x Zn sub x GeO sub 3 and CuGe sub 1 sub - sub y Si sub y O sub 3 closely resemble that of Cu sub 1 sub - sub x Mg sub x GeO sub 3 , including the observation that the spin gap is established at a much higher temperature than the temperature at which the spin-Peierls dimerization attains long-range order. The spin-Peierls transitions in doped samples exhibit unusual phase transition behavior, characterized by highly rounded phase transitions, Lorentzian squared lineshapes, and very long relaxation times. Phenomenological explanations for these observations are given by considering the effects of competing random bond interactions as well as random fields generate...

  18. Structural and dynamical properties of chlorinated hydrocarbons studied with resonant inelastic x-ray scattering

    Science.gov (United States)

    Bohinc, R.; Žitnik, M.; Bučar, K.; Kavčič, M.; Carniato, S.; Journel, L.; Guillemin, R.; Marchenko, T.; Kawerk, E.; Simon, M.; Cao, W.

    2016-04-01

    We present a theoretical and experimental study of resonant inelastic x-ray scattering on a large group of chlorinated hydrocarbons: CH3Cl, CH2Cl2, CHCl3, CCl4, CH3CH2Cl, ClCH2CH2Cl, CH3CHCl2, CH3CCl3, C2H2Cl2-iso, C2H2Cl2-cis, C2H2Cl2-trans, and C6H5Cl. Differences in structural and dynamical properties of the molecules generated by diverse chemical environments are observed in the measured Cl(Kα) spectral maps as well as in the Cl(K) total fluorescence yield spectra. The energy position, relative intensity, and the width of the Franck-Condon distribution of low-lying σ∗ and π∗ resonances are extracted by a fitting procedure taking into account the experimental broadening. The theoretical values obtained with the transition potential and Δ Kohn-Sham methods are in good agreement with the experimental parameters indicating subtle differences due to variations in the molecular structure.

  19. Temperature-dependent structure of ionic liquids: X-ray scattering and simulations

    Energy Technology Data Exchange (ETDEWEB)

    Kashyap, Hemant K.; Santos, Cherry S.; Annapureddy, Harsha V.R.; Murthy, N. Sanjeeva; Margulis, Claudio J.; Castner, Jr., Edward W. (Rutgers)

    2015-10-15

    In this article we determine the temperature-dependent structure of the tetradecyltrihexylphosphonium bis(trifluoromethylsulfonyl)amide ionic liquid using a combination of X-ray scattering and molecular dynamics simulations. As in many other room-temperature ionic liquids three characteristic intermolecular peaks can be detected in the structure function S(q). A prepeak or first sharp diffraction peak is observed at about q = 0.42 {angstrom}{sup -1}. Long range anion-anion correlations are the most important contributors to this peak. In all systems we have studied to date, this prepeak is a signature of solvation asymmetry. The peak in S(q) near q = 0.75 {angstrom}{sup -1} is the signature of ionic alternation and arises from the charge ordered separation of ions of the same charge. The most intense diffraction peak near q = 1.37 {angstrom}{sup -1} arises from short-range separation between ions of opposite charge combined with a significant contribution from cationic carbon-carbon interactions, indicating that cationic hydrophobic tails have significant contacts.

  20. Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering.

    Science.gov (United States)

    Ignatova, Nina; Cruz, Vinícius V; Couto, Rafael C; Ertan, Emelie; Zimin, Andrey; Guimarães, Freddy F; Polyutov, Sergey; Ågren, Hans; Kimberg, Victor; Odelius, Michael; Gel'mukhanov, Faris

    2017-03-07

    As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDO are delocalised in the bound core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow "canyon-like" shape of the potential of the state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state . The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate.

  1. A Closer Look into Two-Step Perovskite Conversion with X-ray Scattering.

    Science.gov (United States)

    Schlipf, Johannes; Docampo, Pablo; Schaffer, Christoph J; Körstgens, Volker; Bießmann, Lorenz; Hanusch, Fabian; Giesbrecht, Nadja; Bernstorff, Sigrid; Bein, Thomas; Müller-Buschbaum, Peter

    2015-04-02

    Recently, hybrid perovskites have gathered much interest as alternative materials for the fabrication of highly efficient and cost-competitive solar cells; however, many questions regarding perovskite crystal formation and deposition methods remain. Here we have applied a two-step protocol where a crystalline PbI2 precursor film is converted to MAPbI3-xClx perovskite upon immersion in a mixed solution of methylammonium iodide and methylammonium chloride. We have investigated both films with grazing incidence small-angle X-ray scattering to probe the inner film morphology. Our results demonstrate a strong link between lateral crystal sizes in the films before and after conversion, which we attribute to laterally confined crystal growth. Additionally, we observe an accumulation of smaller grains within the bulk in contrast with the surface. Thus, our results help to elucidate the crystallization process of perovskite films deposited via a two-step technique that is crucial for controlled film formation, improved reproducibility, and high photovoltaic performance.

  2. Neutron and X-Ray Scattering Studies of Hybrid Perovskites for Photovoltaic Applications

    Science.gov (United States)

    Crawford, Michael; Whitfield, Pamela; Jalarvo, Niina; Ehlers, Georg; Tyagi, Madhusudan; Herron, Norman; Johnson, Lynda; Guise, William; Milas, Ivan; Cheng, Yongqiang; Daemen, Luke; Ramirez-Cuesta, Anibal; Page, Katharine; Wang, Xiaoping; Ye, Feng

    Hybrid perovskites (ABX3) have attracted a great deal of attention recently as light absorbers for photovoltaics. In these materials the A site is occupied by organic cations, for example methyl ammonium (MA) or formamidinium (FA) cations, the B site is occupied by metals, for example Pb or Sn, and the X anions are halogens (I, Br, or Cl). Typical of perovskites, these materials exhibit a series of structural phase transitions involving rotations or tilts of the BX6 octahedra, but with the added complexity that the inorganic framework is coupled to order-disorder transitions of the organic cations. We have used neutron scattering techniques to characterize the structures and dynamics of several of these compounds as a function of temperature. In addition, high resolution synchrotron x-ray diffraction measurements have been performed to investigate the structural phase transitions. These studies yield a detailed picture of the structures, dynamics, and structural phase transitions of these compounds, and provide a firm basis for understanding their excellent photovoltaic properties.

  3. Active Creation of Instrinsically Localized Vibrations in Uranium Using X-Ray and Neutron Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Manley, M; Alatas, A; Trouw, F; Hults, W; Leu, B; Lynn, J; Chen, Y

    2007-08-23

    In real materials, nonlinear forces cause the frequencies of vibrating atoms to depend on amplitude. As a consequence, a large-amplitude fluctuation on the scale of the atom spacing can develop a frequency that does not resonate with the normal modes, causing energy to become trapped in an intrinsically localized mode (ILM)--also called 'discrete breather' or 'lattice soliton'. As temperature is increased, entropy is expected to stabilize increased concentrations of these random hotspots. This mechanism, which spontaneously concentrates energy, has been observed in analogous systems on a larger scale, but direct sightings at the atomic scale have proved difficult. Two challenges have hampered progress: (1) the need to separate ILMs from modes associated with crystal imperfections, and (2) complications that arise at high temperatures, including feature broadening and multiphonon processes. Here we solve both of these problems by actively creating ILMs at low temperatures in {alpha}-uranium using high-energy inelastic x-ray and neutron scattering. The ILM creation excitation occurs at energies ten times higher than conventional lattice excitations, cleanly separating it from modes associated with crystal imperfections. The discovery of this excitation not only proves the existence of ILMs in uranium but also opens up a new route for finding ILMs in other materials and, in the process, a new area for spectroscopy.

  4. Dynamics of confined water reconstructed from inelastic x-ray scattering measurements of bulk response functions

    Science.gov (United States)

    Coridan, Robert H.; Schmidt, Nathan W.; Lai, Ghee Hwee; Abbamonte, Peter; Wong, Gerard C. L.

    2012-03-01

    Nanoconfined water and surface-structured water impacts a broad range of fields. For water confined between hydrophilic surfaces, measurements and simulations have shown conflicting results ranging from “liquidlike” to “solidlike” behavior, from bulklike water viscosity to viscosity orders of magnitude higher. Here, we investigate how a homogeneous fluid behaves under nanoconfinement using its bulk response function: The Green's function of water extracted from a library of S(q,ω) inelastic x-ray scattering data is used to make femtosecond movies of nanoconfined water. Between two confining surfaces, the structure undergoes drastic changes as a function of surface separation. For surface separations of ≈9 Å, although the surface-associated hydration layers are highly deformed, they are separated by a layer of bulklike water. For separations of ≈6 Å, the two surface-associated hydration layers are forced to reconstruct into a single layer that modulates between localized “frozen’ and delocalized “melted” structures due to interference of density fields. These results potentially reconcile recent conflicting experiments. Importantly, we find a different delocalized wetting regime for nanoconfined water between surfaces with high spatial frequency charge densities, where water is organized into delocalized hydration layers instead of localized hydration shells, and are strongly resistant to `freezing' down to molecular distances (<6 Å).

  5. High-resolution resonant inelastic soft X-ray scattering applied to liquids

    Energy Technology Data Exchange (ETDEWEB)

    Rubensson, Jan-Erik, E-mail: jan-erik.rubensson@fysik.uu.se [Department of Physics and Astronomy, Uppsala University, Box 516, S-751 20 Uppsala (Sweden); Hennies, Franz [Department of Physics and Astronomy, Uppsala University, Box 516, S-751 20 Uppsala (Sweden); MAX-lab, Lund University, Box 118, S-221 00 Lund (Sweden); Pietzsch, Annette [MAX-lab, Lund University, Box 118, S-221 00 Lund (Sweden)

    2013-06-15

    Highlights: ► Vibrational excitations in liquids resolved in RIXS are observed. ► Soft vibrational modes are quenched in the RIXS process. ► Intermolecular dipole–dipole interaction influences spectral features. ► Influence of room temperature is excitations observed. -- Abstract: The brilliance of modern synchrotron radiation sources and capabilities of new instrumentation facilitate resonant inelastic soft X-ray scattering of liquids and molecular materials with high spectral quality. Especially, when the energy resolution approaches the natural line widths a detailed analysis provides information about local potential surfaces, dynamic coupling between nuclear and electronic degrees of freedom, and intermolecular interactions. After briefly commenting on various sample handling systems we review the recent high-resolution RIXS results on liquid acetone. The experimental RIXS spectra excited at the O K edge demonstrate that the CO stretching mode dominates the vibrational progressions, and that softer modes are little affected by the nuclear dynamics in the intermediate state. It is shown that intermolecular coupling can be neglected in this specific case, and it is predicted that such interaction significantly broadens spectral features in liquids with larger dipole–dipole interaction. Analysis of the data further shows that initial state thermal excitations at room temperature have a noticeable influence on the spectral features.

  6. Nanoconfinement platform for nanostructure quantification via grazing-transmission X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Black, Charles T.; Yager, Kevin G.

    2017-01-31

    A nano-confinement platform that may allow improved quantification of the structural order of nanometer-scale systems. Sample-holder `chips` are designed for the GTSAXS experimental geometry. The platform involves fabricated nanostructured sample holders on and in one or more corners of a substrate support where the sample material of interest is positioned at the corner of the substrate support. In an embodiment, the substrate material making up the substrate support beneath the sample-holding area is removed. A scattering x-ray sample platform includes a substrate support arranged in a parallelepiped form, having a substantially flat base and a substantially flat top surface, the top surface being substantially parallel with the base, the parallelepiped having a plurality of corners. At least one corner of the substrate support has a sample holding area formed in the top surface of the substrate support and within a predetermined distance from the corner. The sample holding area includes a regular array of nano-wells formed in the top surface of the substrate support.

  7. Analysis of riboswitch structure and ligand binding using small-angle X-ray scattering (SAXS).

    Science.gov (United States)

    Baird, Nathan J; Ferré-D'Amaré, Adrian R

    2014-01-01

    Small-angle X-ray scattering (SAXS) is a powerful tool for examining the global conformation of riboswitches in solution, and how this is modulated by binding of divalent cations and small molecule ligands. SAXS experiments, which typically require only minutes per sample, directly yield two quantities describing the size and shape of the RNA: the radius of gyration (Rg) and the maximum linear dimension (Dmax). Examination of these quantities can reveal if a riboswitch undergoes cation-induced compaction. Comparison of the Rg and Dmax values between samples containing different concentrations of ligand reveals the overall structural response of the riboswitch to ligand. The Kratky plot (a graphical representation that emphasizes the higher-resolution SAXS data) and the P(r) plot or pair-probability distribution (an indirect Fourier transform, or power spectrum of the data) can provide additional evidence of riboswitch conformational changes. Simulation methods have been developed for generating three-dimensional reconstructions consistent with the one-dimensional SAXS data. These low-resolution molecular envelopes can aid in deciphering the relative helical arrangement within the RNA.

  8. Structure parameters of synaptic vesicles quantified by small-angle x-ray scattering.

    Science.gov (United States)

    Castorph, Simon; Riedel, Dietmar; Arleth, Lise; Sztucki, Michael; Jahn, Reinhard; Holt, Matthew; Salditt, Tim

    2010-04-07

    Synaptic vesicles (SVs) are small, membrane-bound organelles that are found in the synaptic terminal of neurons, and which are crucial in neurotransmission. After a rise in internal [Ca(2+)] during neuronal stimulation, SVs fuse with the plasma membrane releasing their neurotransmitter content, which then signals neighboring neurons. SVs are subsequently recycled and refilled with neurotransmitter for further rounds of release. Recently, tremendous progress has been made in elucidating the molecular composition of SVs, as well as putative protein-protein interactions. However, what is lacking is an empirical description of SV structure at the supramolecular level-which is necessary to enable us to fully understand the processes of membrane fusion, retrieval, and recycling. Using small-angle x-ray scattering, we have directly investigated the size and structure of purified SVs. From this information, we deduced detailed size and density parameters for the protein layers responsible for SV function, as well as information about the lipid bilayer. To achieve a convincing model fit, a laterally anisotropic structure for the protein shell is needed, as a rotationally symmetric density profile does not explain the data. Not only does our model confirm many of the preexisting ideas concerning SV structure, but also for the first time, to our knowledge, it indicates structural refinements, such as the presence of protein microdomains.

  9. Structure of cyano-anion ionic liquids: X-ray scattering and simulations.

    Science.gov (United States)

    Dhungana, Kamal B; Faria, Luiz F O; Wu, Boning; Liang, Min; Ribeiro, Mauro C C; Margulis, Claudio J; Castner, Edward W

    2016-07-14

    Ionic liquids with cyano anions have long been used because of their unique combination of low-melting temperatures, reduced viscosities, and increased conductivities. Recently we have shown that cyano anions in ionic liquids are particularly interesting for their potential use as electron donors to excited state photo-acceptors [B. Wu et al., J. Phys. Chem. B 119, 14790-14799 (2015)]. Here we report on bulk structural and quantum mechanical results for a series of ionic liquids based on the 1-ethyl-3-methylimidazolium cation, paired with the following five cyano anions: SeCN(-), SCN(-), N(CN)2 (-), C(CN)3 (-), and B(CN)4 (-). By combining molecular dynamics simulations, high-energy X-ray scattering measurements, and periodic boundary condition DFT calculations, we are able to obtain a comprehensive description of the liquid landscape as well as the nature of the HOMO-LUMO states for these ionic liquids in the condensed phase. Features in the structure functions for these ionic liquids are somewhat different than the commonly observed adjacency, charge-charge, and polarity peaks, especially for the bulkiest B(CN)4 (-) anion. While the other four cyano-anion ionic liquids present an anionic HOMO, the one for Im2,1 (+)/B(CN)4 (-) is cationic.

  10. d-d excitations in bilayer manganites probed by resonant inelastic x-ray scattering.

    Energy Technology Data Exchange (ETDEWEB)

    Weber, F.; Rosenkranz, S.; Castellan, J.-P.; Osborn, R.; Mitchell, J. F.; Zheng, H.; Case, D.; Kim, J. H.; Gog, T.

    2010-01-01

    We report a high-resolution resonant inelastic x-ray scattering investigation of the bilayer manganites La{sub 2-2x}Sr{sub 1+2x}Mn{sub 2}O{sub 7} with x=0.36 and 0.5. The momentum dependence along the crystallographic (110) direction for energy losses 1 eV {le} {Delta}E {le} 15 eV has been measured in detail with the data analysis focusing on the energy-loss region 1 eV {le} {Delta}E {le} 5 eV, which includes a strong peak located at {Delta}E {approx} 2 eV. We observe a clear dispersion of up to 0.5 eV in the measured q range, which is direct evidence of the nonlocal character of this excitation. Further, we found that the intensity in this low-energy region strongly depends on both the reduced wave vector q=(h,h,0), h=0.1-0.5, and temperature, i.e., different ordered phases. Results can be explained via an intersite d-d charge-transfer excitation, proposed for pseudocubic manganites, where the hopping rate is strongly increased (decreased) by ferromagnetic (antiferromagnetic) alignment of neighboring in-plane Mn ion core spins.

  11. Topological investigation of electronic silicon nanoparticulate aggregates using ultra-small-angle X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Jonah, E. O., E-mail: emmanuel.jonah@uct.ac.za; Britton, D. T. [University of Cape Town, Department of Physics, NanoSciences Innovation Centre (South Africa); Beaucage, P.; Rai, D. K.; Beaucage, G. [University of Cincinnati, Department of Chemical and Materials Engineering (United States); Magunje, B. [University of Cape Town, Department of Physics, NanoSciences Innovation Centre (South Africa); Ilavsky, J. [Advanced Photon Source, Argonne National Laboratory, X-ray Science Division (United States); Scriba, M. R.; Haerting, M. [University of Cape Town, Department of Physics, NanoSciences Innovation Centre (South Africa)

    2012-11-15

    The network topology of two types of silicon nanoparticles, produced by high energy milling and pyrolysis of silane, in layers deposited from inks on permeable and impermeable substrates has been quantitatively characterized using ultra-small-angle X-ray scattering, supported by scanning electron microscopy observations. The milled particles with a highly polydisperse size distribution form agglomerates, which in turn cluster to form larger aggregates with a very high degree of aggregation. Smaller nanoparticles with less polydisperse size distribution synthesized by thermal catalytic pyrolysis of silane form small open clusters. The Sauter mean diameters of the primary particles of the two types of nanoparticles were obtained from USAXS particle volume to surface ratio, with values of {approx}41 and {approx}21 nm obtained for the high energy milled and pyrolysis samples, respectively. Assuming a log-normal distribution of the particles, the geometric standard deviation of the particles was calculated to be {approx}1.48 for all the samples, using parameters derived from the unified fit to the USAXS data. The flow properties of the inks and substrate combination lead to quantitative changes in the mean particle separation, with slowly curing systems with good capillary flow resulting in denser networks with smaller aggregates and better contact between particles.

  12. Study of titanium oxide sol-gel condensation using small angle X-ray scattering.

    Science.gov (United States)

    Pattier, Bruno; Henderson, Mark; Brotons, Guillaume; Gibaud, Alain

    2010-04-29

    Transparent gels prepared from an acid solution of TiOCl(2) in N,N-dimethylformamide (DMF) and water have been studied by small-angle X-ray scattering (SAXS). The sol-gel transformation of the titanium inorganic polymer was studied as a function of chemical composition of the sol and of the annealing time. Quantitative information was obtained by modeling the SAXS data with the Burford and Beaucage models. From the fits to the data, the radius of gyration of the primary particles, the so-called building blocks, the size xi of the homogeneous objects forming a fractal network in the gel, and the fractal dimension of the gel were obtained. We found fractal dimensions varying between D(f) = 1.75 and 2.2 and a radius of gyration of the building blocks equal to R(g) = 0.46 nm, which remained almost constant for all studied samples. The analysis of the homogeneous domain size xi as a function of the annealing time shows the existence of an incubation time preceding the rapid growth of the aggregates at high titanium concentration.

  13. Theoretical approach to direct resonant inelastic X-ray scattering on magnets and superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Marra, Pasquale

    2015-10-26

    The capability to probe the dispersion of elementary spin, charge, orbital, and lattice excitations has positioned resonant inelastic X-ray scattering (RIXS) at the forefront of photon science. In this work, we will investigate how RIXS can contribute to a deeper understanding of the orbital properties and of the pairing mechanism in unconventional high-temperature superconductors. In particular, we show how direct RIXS spectra of magnetic excitations can reveal long-range orbital correlations in transition metal compounds, by discriminating different kind of orbital order in magnetic and antiferromagnetic systems. Moreover, we show how RIXS spectra of quasiparticle excitations in superconductors can measure the superconducting gap magnitude, and reveal the presence of nodal points and phase differences of the superconducting order parameter on the Fermi surface. This can reveal the properties of the underlying pairing mechanism in unconventional superconductors, in particular cuprates and iron pnictides, discriminating between different superconducting order parameter symmetries, such as s,d (singlet pairing) and p wave (triplet pairing).

  14. The small angle x-ray scattering of globular proteins in solution during heat denaturation

    Science.gov (United States)

    Banuelos, Jose; Urquidi, Jacob

    2008-10-01

    The ability of proteins to change their conformation in response to changes in their environment has consequences in biological processes like metabolism, chemical regulation in cells, and is believed to play a role in the onset of several neurodegenerative diseases. Factors such as a change in temperature, pressure, and the introduction of ions into the aqueous environment of a protein can give rise to the folding/unfolding of a protein. As a protein unfolds, the ratio of nonpolar to polar groups exposed to water changes, affecting a protein's thermodynamic properties. Using small angle x-ray scattering (SAXS), we are currently studying the intermediate protein conformations that arise during the folding/unfolding process as a function of temperature for five globular proteins. Trends in the observed intermediate structures of these globular proteins, along with correlations with data on protein thermodynamics may help elucidate shared characteristics between all proteins in the folding/unfolding process. Experimental design considerations will be discussed and preliminary results for some of these systems will be presented.

  15. Diagnostics for the optimization of an 11 keV inverse Compton scattering x-ray source

    Energy Technology Data Exchange (ETDEWEB)

    Chauchat, A.-S.; Brasile, J.-P [Thales Communications and Security, 4 avenue des Louvresses 92230 Gennevilliers (France); Le Flanchec, V.; Negre, J.-P.; Binet, A. [CEA DAM DIF, Bruyeres-le-Chatel 91290 Arpajon (France); Ortega, J.-M. [LCP Universite Paris-Sud, Bat. 201, 91405 Orsay (France)

    2013-04-19

    In a scope of a collaboration between Thales Communications and Security and CEA DAM DIF, 11 keV Xrays were produced by inverse Compton scattering on the ELSA facility. In this type of experiment, X-ray observation lies in the use of accurate electron and laser beam interaction diagnostics and on fitted X-ray detectors. The low interaction probability between < 100 {mu}m width, 12 ps [rms] length electron and photon pulses requires careful optimization of pulse spatial and temporal covering. Another issue was to observe 11 keV X-rays in the ambient radioactive noise of the linear accelerator. For that, we use a very sensitive detection scheme based on radio luminescent screens.

  16. Beyond simple small-angle X-ray scattering: developments in online complementary techniques and sample environments

    Directory of Open Access Journals (Sweden)

    Wim Bras

    2014-11-01

    Full Text Available Small- and wide-angle X-ray scattering (SAXS, WAXS are standard tools in materials research. The simultaneous measurement of SAXS and WAXS data in time-resolved studies has gained popularity due to the complementary information obtained. Furthermore, the combination of these data with non X-ray based techniques, via either simultaneous or independent measurements, has advanced understanding of the driving forces that lead to the structures and morphologies of materials, which in turn give rise to their properties. The simultaneous measurement of different data regimes and types, using either X-rays or neutrons, and the desire to control parameters that initiate and control structural changes have led to greater demands on sample environments. Examples of developments in technique combinations and sample environment design are discussed, together with a brief speculation about promising future developments.

  17. Combining THz laser excitation with resonant soft X-ray scattering at the Linac Coherent Light Source

    Energy Technology Data Exchange (ETDEWEB)

    Turner, Joshua J., E-mail: joshuat@slac.stanford.edu; Dakovski, Georgi L.; Hoffmann, Matthias C. [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Hwang, Harold Y. [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Zarem, Alex; Schlotter, William F.; Moeller, Stefan; Minitti, Michael P. [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Staub, Urs [Swiss Light Source, Paul Scherrer Institut, 5232 Villigen (Switzerland); Johnson, Steven [ETH Zurich, Institute for Quantum Electronics, Wolfgang-Pauli-Strasse 16, 8093 Zurich (Switzerland); Mitra, Ankush; Swiggers, Michele; Noonan, Peter; Curiel, G. Ivan; Holmes, Michael [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States)

    2015-04-11

    This paper describes new instrumentation developments at the LCLS for materials studies using THz laser excitation and resonant soft X-ray scattering. This paper describes the development of new instrumentation at the Linac Coherent Light Source for conducting THz excitation experiments in an ultra high vacuum environment probed by soft X-ray diffraction. This consists of a cantilevered, fully motorized mirror system which can provide 600 kV cm{sup −1} electric field strengths across the sample and an X-ray detector that can span the full Ewald sphere with in-vacuum motion. The scientific applications motivated by this development, the details of the instrument, and spectra demonstrating the field strengths achieved using this newly developed system are discussed.

  18. Exploring Pore Formation of Atomic Layer Deposited Overlayers by In Situ Small- and Wide-Angle X-ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tao; Karwal, Saurabh; Aoun, Bachir; Zhao, Haiyan; Ren, Yang; Canlas, Christian; Elam, Jeffrey W.; Winans, Randall E.

    2016-10-11

    In this work, we explore the pore structure of overcoated materials by in situ synchrotron small- and wide-angle X-ray scattering (SAXS)/(WAXS). Thin films of aluminum oxide (Al2O3) and titanium dioxide (TiO2) with thicknesses of 4.9 and 2.5 nm, respectively, are prepared by atomic layer deposition (ALD) on non-porous nanoparticles. In situ X-ray measurements reveal that porosity is induced in the ALD films by annealing the samples at high temperature. Moreover, this pore formation can be attributed to densification resulting from an amorphous to crystalline phase transition of the ALD films as confirmed by high resolution X-ray diffraction (XRD) and pair distribution function (PDF). Simultaneous SAXS/WAXS results not only show that the porosity is formed by this phase transition but also that the pore size increases with temperature.

  19. SU-E-I-44: Some Preliminary Analysis of Angular Distribution of X-Ray Scattered On Soft Tissues

    Energy Technology Data Exchange (ETDEWEB)

    Ganezer, K; Krmar, M; Cvejic, Z; Rakic, S; Pajic, B [University of Novi Sad, Novi Sad Serbia (Serbia)

    2015-06-15

    Purpose: The angular distribution of x-radiation scattered at small angles (up to 16 degrees) from several different animal soft tissue (skin, fat, muscle, retina, etc) were measured using standard equipment devoted to study of crystal structure which provides excellent geometry conditions of measurements. showed measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Methods: An x-ray scattering profile usually consists of sharp diffraction peak; however some properties of the spatial profiles of scattered radiation as intensity, the peak position, height, area, FWHM, the ratio of peak heights, etc. Results: The data contained measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Measurements of different samples in the very preliminary phase showed that simple biological material used in study showed slightly different scattering pattern, especially at higher angles (around 10degrees). Intensity of radiation scattered from same tissue type is very dependent on water content and several more parameters. Conclusion: This preliminary study using animal soft tissues on the angular distributions of scattered x-rays suggests that angular distributions of X-rays scattered off of soft tissues might be useful in distinguishing healthy tissue from malignant soft tissue.

  20. X-ray scattering and spectroscopy studies on diesel soot from oxygenated fuel under various engine load conditions

    Science.gov (United States)

    Braun, Andreas; Shah, N.; Huggins, Frank E.; Kelly, K.E.; Sarofim, A.; Jacobsen, C.; Wirick, S.; Francis, H.; Ilavsky, J.; Thomas, G.E.; Huffman, G.P.

    2005-01-01

    Diesel soot from reference diesel fuel and oxygenated fuel under idle and load engine conditions was investigated with X-ray scattering and X-ray carbon K-edge absorption spectroscopy. Up to five characteristic size ranges were found. Idle soot was generally found to have larger primary particles and aggregates but smaller crystallites, than load soot. Load soot has a higher degree of crystallinity than idle soot. Adding oxygenates to diesel fuel enhanced differences in the characteristics of diesel soot, or even reversed them. Aromaticity of idle soot from oxygenated diesel fuel was significantly larger than from the corresponding load soot. Carbon near-edge X-ray absorption fine structure (NEXAFS) spectroscopy was applied to gather information about the presence of relative amounts of carbon double bonds (CC, CO) and carbon single bonds (C-H, C-OH, COOH). Using scanning X-ray transmission microspectroscopy (STXM), the relative amounts of these carbon bond states were shown to vary spatially over distances approximately 50 to 100 nm. The results from the X-ray techniques are supported by thermo-gravimetry analysis and high-resolution transmission electron microscopy. ?? 2005 Elsevier Ltd. All rights reserved.

  1. Design calculations for a xenon plasma x-ray shield to protect the NIF optical Thomson scattering diagnostic.

    Science.gov (United States)

    Swadling, G F; Ross, J S; Datte, P; Moody, J; Divol, L; Jones, O; Landen, O

    2016-11-01

    An Optical Thomson Scattering (OTS) diagnostic is currently being developed for the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory. This diagnostic is designed to make measurements of the hohlraum plasma parameters, such as the electron temperature and the density, during inertial confinement fusion (ICF) experiments. NIF ICF experiments present a very challenging environment for optical measurements; by their very nature, hohlraums produce intense soft x-ray emission, which can cause "blanking" (radiation induced opacity) of the radiation facing optical components. The soft x-ray fluence at the surface of the OTS blast shield, 60 cm from the hohlraum, is estimated to be ∼8 J cm(-2). This is significantly above the expected threshold for the onset of "blanking" effects. A novel xenon plasma x-ray shield is proposed to protect the blast shield from x-rays and mitigate "blanking." Estimates suggest that an areal density of 10(19) cm(-2) Xe atoms will be sufficient to absorb 99.5% of the soft x-ray flux. Two potential designs for this shield are presented.

  2. Design calculations for a xenon plasma x-ray shield to protect the NIF optical Thomson scattering diagnostic

    Science.gov (United States)

    Swadling, G. F.; Ross, J. S.; Datte, P.; Moody, J.; Divol, L.; Jones, O.; Landen, O.

    2016-11-01

    An Optical Thomson Scattering (OTS) diagnostic is currently being developed for the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory. This diagnostic is designed to make measurements of the hohlraum plasma parameters, such as the electron temperature and the density, during inertial confinement fusion (ICF) experiments. NIF ICF experiments present a very challenging environment for optical measurements; by their very nature, hohlraums produce intense soft x-ray emission, which can cause "blanking" (radiation induced opacity) of the radiation facing optical components. The soft x-ray fluence at the surface of the OTS blast shield, 60 cm from the hohlraum, is estimated to be ˜8 J cm-2. This is significantly above the expected threshold for the onset of "blanking" effects. A novel xenon plasma x-ray shield is proposed to protect the blast shield from x-rays and mitigate "blanking." Estimates suggest that an areal density of 1019 cm-2 Xe atoms will be sufficient to absorb 99.5% of the soft x-ray flux. Two potential designs for this shield are presented.

  3. Design calculations for a xenon plasma x-ray shield to protect the NIF optical Thomson scattering diagnostic

    Energy Technology Data Exchange (ETDEWEB)

    Swadling, G. F.; Ross, J. S.; Datte, P.; Moody, J.; Divol, L.; Jones, O.; Landen, O. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

    2016-11-15

    An Optical Thomson Scattering (OTS) diagnostic is currently being developed for the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory. This diagnostic is designed to make measurements of the hohlraum plasma parameters, such as the electron temperature and the density, during inertial confinement fusion (ICF) experiments. NIF ICF experiments present a very challenging environment for optical measurements; by their very nature, hohlraums produce intense soft x-ray emission, which can cause “blanking” (radiation induced opacity) of the radiation facing optical components. The soft x-ray fluence at the surface of the OTS blast shield, 60 cm from the hohlraum, is estimated to be ∼8 J cm{sup −2}. This is significantly above the expected threshold for the onset of “blanking” effects. A novel xenon plasma x-ray shield is proposed to protect the blast shield from x-rays and mitigate “blanking.” Estimates suggest that an areal density of 10{sup 19} cm{sup −2} Xe atoms will be sufficient to absorb 99.5% of the soft x-ray flux. Two potential designs for this shield are presented.

  4. Relationships between structure and rheology in polymer nanocomposites probed via X-ray scattering

    Science.gov (United States)

    Pujari, Saswati

    Polymer nanocomposites have received intense attention due to their potential for significantly enhanced polymer properties like mechanical strength, thermal stability, electrical conductivity, etc. Melt state processing of these materials exposes the nanofillers to complex flow fields, which can induce changes in nanocomposite microstructure, including particle dispersion and the orientation of anisotropic nanoparticles in the polymer matrix. Since nanocomposite properties are strongly correlated with both these structural features, it is essential to develop methods to characterize such microstructural changes. This thesis reports extensive measurements of mechanical rheology and particle orientation during flow of nanocomposites based on multi-walled carbon nanotubes, clays, and graphene nanosheets. Changes in orientation of anisotropic nanoparticles are manifested in x-ray scattering images collected during shear. In-situ studies of orientation are enabled by custom designed x-ray adapted shear cells and high energy synchrotron radiation at the Advanced Photon Source in Argonne National Laboratory where these experiments were conducted. Studies of flow induced orientation in model nanotube dispersions revealed increasing sample anisotropy with increasing shear rate across concentrations and aspect ratios. In dilute dispersions the orientation dynamics was dominated by flow induced aggregation/disaggregation of MWNTs, with anisotropy primarily attributed to individually dispersed nanotubes. In concentrated suspensions, sample anisotropy resulted from flow induced elastic deformation within entangled MWNT clusters. Release of elastic energy upon flow cessation resulted in an unexpected relaxation of induced anisotropy. These studies were followed with study of more complex, but, industrially relevant nanocomposites made with polypropylene as the dispersing matrix. The high viscosity of polypropylene makes dispersion of nanoparticles difficult, and hence a careful

  5. Grazing-incidence small-angle X-ray scattering from thin polymer films with lamellar structures - the scattering cross section in the distorted-wave Born approximation

    DEFF Research Database (Denmark)

    Posselt, Dorthe; Busch, Peter; Rauscher, Markus

    2006-01-01

    Grazing-incidence small-angle X-ray or neutron scattering of thin polymer films reveals information about the ordering and preferential orientations of the phase-separated microdomains within the films. The grazing-incidence geometry enhances the surface sensitivity; however, the scattering has t...

  6. Directly Characterizing the Relative Strength and Momentum Dependence of Electron-Phonon Coupling Using Resonant Inelastic X-Ray Scattering

    Science.gov (United States)

    Devereaux, T. P.; Shvaika, A. M.; Wu, K.; Wohlfeld, K.; Jia, C. J.; Wang, Y.; Moritz, B.; Chaix, L.; Lee, W.-S.; Shen, Z.-X.; Ghiringhelli, G.; Braicovich, L.

    2016-10-01

    The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge-density wave order, and metal-insulator transitions. Angle-resolved photoemission spectroscopy and both neutron and nonresonant x-ray scattering serve as effective probes for determining the behavior of appropriate, individual degrees of freedom—the electronic structure and lattice excitation, or phonon dispersion, respectively. However, each provides less direct information about the mutual coupling between the degrees of freedom, usually through self-energy effects, which tend to renormalize and broaden spectral features precisely where the coupling is strong, impacting one's ability to quantitatively characterize the coupling. Here, we demonstrate that resonant inelastic x-ray scattering, or RIXS, can be an effective tool to directly determine the relative strength and momentum dependence of the electron-phonon coupling in condensed matter systems. Using a diagrammatic approach for an eight-band model of copper oxides, we study the contributions from the lowest-order diagrams to the full RIXS intensity for a realistic scattering geometry, accounting for matrix element effects in the scattering cross section, as well as the momentum dependence of the electron-phonon coupling vertex. A detailed examination of these maps offers a unique perspective into the characteristics of electron-phonon coupling, which complements both neutron and nonresonant x-ray scattering, as well as Raman and infrared conductivity.

  7. Directly Characterizing the Relative Strength and Momentum Dependence of Electron-Phonon Coupling Using Resonant Inelastic X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Devereaux, T.P.; Shvaika, A.M.; Wu, K.; Wohlfeld, K.; Jia, C.J.; Wang, Y.; Moritz, B.; Chaix, L.; Lee, W.-S.; Shen, Z.-X.; Ghiringhelli, G.; Braicovich, L.

    2016-10-25

    The coupling between lattice and charge degrees of freedom in condensed matter materials is ubiquitous and can often result in interesting properties and ordered phases, including conventional superconductivity, charge-density wave order, and metal-insulator transitions. Angle-resolved photoemission spectroscopy and both neutron and nonresonant x-ray scattering serve as effective probes for determining the behavior of appropriate, individual degrees of freedom—the electronic structure and lattice excitation, or phonon dispersion, respectively. However, each provides less direct information about the mutual coupling between the degrees of freedom, usually through self-energy effects, which tend to renormalize and broaden spectral features precisely where the coupling is strong, impacting one’s ability to quantitatively characterize the coupling. Here, we demonstrate that resonant inelastic x-ray scattering, or RIXS, can be an effective tool to directly determine the relative strength and momentum dependence of the electron-phonon coupling in condensed matter systems. Using a diagrammatic approach for an eight-band model of copper oxides, we study the contributions from the lowest-order diagrams to the full RIXS intensity for a realistic scattering geometry, accounting for matrix element effects in the scattering cross section, as well as the momentum dependence of the electron-phonon coupling vertex. A detailed examination of these maps offers a unique perspective into the characteristics of electron-phonon coupling, which complements both neutron and nonresonant x-ray scattering, as well as Raman and infrared conductivity.

  8. Measurement of illite particle thickness using a direct Fourier transform of small-angle X-ray scattering data

    Science.gov (United States)

    Shang, C.; Rice, J.A.; Eberl, D.D.; Lin, S.-J.

    2003-01-01

    It has been suggested that interstratified illite-smectite (I-S) minerals are composed of aggregates of fundamental particles. Many attempts have been made to measure the thickness of such fundamental particles, but each of the methods used suffers from its own limitations and uncertainties. Small-angle X-ray scattering (SAXS) can be used to measure the thickness of particles that scatter X-rays coherently. We used SAXS to study suspensions of Na-rectorite and other illites with varying proportions of smectite. The scattering intensity (I) was recorded as a function of the scattering vector, q = (4 ??/??) sin(??/2), where ?? is the X-ray wavelength and ?? is the scattering angle. The experimental data were treated with a direct Fourier transform to obtain the pair distance distribution function (PDDF) that was then used to determine the thickness of illite particles. The Guinier and Porod extrapolation were used to obtain the scattering intensity beyond the experimental q, and the effects of such extrapolations on the PDDF were examined. The thickness of independent rectorite particles (used as a reference mineral) is 18.3 A??. The SAXS results are compared with those obtained by X-ray diffraction peak broadening methods. It was found that the power-law exponent (??) obtained by fitting the data in the region of q = 0.1 -0.6 nm-1 to the power law (I = Ioq-??) is a linear function of illite particle thickness. Therefore, illite particle thickness could be predicted by the linear relationship as long as the thickness is within the limit where ?? <4.0.

  9. Synchrotron X-ray Scattering from Self-organized Soft Nanostructures in Clays

    Science.gov (United States)

    Fossum, J. O.

    2009-04-01

    In the general context of self-organization of nanoparticles (in our case clay particles), and transitions in such structures, we study interconnected universal complex physical phenomena such as: (i) spontaneous gravitationally induced phase separation and nematic self-organization in systems of anisotropic clay nanoparticles in aqueous suspension, including studies of isotropic to nematic transitions [1,2] (ii) transitions from biaxial to uniaxial nematics by application of external magnetic field to self-organized systems of the same anisotropic (diamagnetic) clay nanoparticle systems [3,4] (iii) guided self-organization into chainlike structures of the same anisotropic clay nanoparticles in oil suspension when subjected to external electrical fields (electrorheological structures of polarized nanoparticles), and the stability of, and transitions of, such structures, when subjected to external mechanical stress [5,6] The experimental techniques used by us include synchrotron X-ray scattering, neutron scattering, rheometry. microscopy and magnetic resonance. We have demonstrated that clays may be used as good model systems for studies of universal physical phenomena and transitions in self-organized nanostructured soft and complex matter. Self-organization and related transitions in clay systems in particular, may have practical relevance for nano-patterning, properties of nanocomposites, and macroscopically anisotropic gels, among many other applications [7]. The synchrotron experiments have been performed at LNLS-Brazil, PLS- Korea, BNL-USA and ESRF-France. Acknowledgments: Collaborators, postdocs and students at NTNU-Norway, UiO-Norway, IFE-Norway, BNL-USA, LNLS-Brazil, UFPE-Brazil, UnB-Brazil, Univ. Amsterdam-Netherlands, Univ.Paris 7-France and other places. This research has been supported by the Research Council of Norway (RCN), through the NANOMAT, SUP and FRINAT Programs. References 1. J.O. Fossum, E. Gudding, D.d.M. Fonseca, Y. Meheust, E. DiMasi, T

  10. Semi-rigid solution structures of heparin by constrained X-ray scattering modelling: new insight into heparin-protein complexes.

    Science.gov (United States)

    Khan, Sanaullah; Gor, Jayesh; Mulloy, Barbara; Perkins, Stephen J

    2010-01-22

    The anionic polysaccharides heparin and heparan sulphate play essential roles in the regulation of many physiological processes. Heparin is often used as an analogue for heparan sulphate. Despite knowledge of an NMR solution structure and 19 crystal structures of heparin-protein complexes for short heparin fragments, no structures for larger heparin fragments have been reported up to now. Here, we show that solution structures for six purified heparin fragments dp6-dp36 (where dp stands for degree of polymerisation) can be determined by a combination of analytical ultracentrifugation, synchrotron X-ray scattering, and constrained modelling. Analytical ultracentrifugation velocity data for dp6-dp36 showed sedimentation coefficients that increased linearly from 1.09 S to 1.84 S with size. X-ray scattering of dp6-dp36 gave radii of gyration R(G) that ranged from 1.33 nm to 3.12 nm and maximum lengths that ranged from 3.0 nm to 12.3 nm. The higher resolution of X-ray scattering revealed an increased bending of heparin with increased size. Constrained molecular modelling of 5000 randomised heparin conformers resulted in 9-15 best-fit structures for each of dp18, dp24, dp30, and dp36 that indicated flexibility and the presence of short linear segments in mildly bent structures. Comparisons of these solution structures with crystal structures of heparin-protein complexes revealed similar ranges of phi (phi) and psi (psi) angles between iduronate and glucosamine rings. We conclude that heparin in solution has a semi-rigid and extended conformation that is preformed for its optimal binding to protein targets without major conformational changes.

  11. Flexible retrospective phase stepping in x-ray scatter correction and phase contrast imaging using structured illumination.

    Directory of Open Access Journals (Sweden)

    Han Wen

    Full Text Available The development of phase contrast methods for diagnostic x-ray imaging is inspired by the potential of seeing the internal structures of the human body without the need to deposit any harmful radiation. An efficient class of x-ray phase contrast imaging and scatter correction methods share the idea of using structured illumination in the form of a periodic fringe pattern created with gratings or grids. They measure the scatter and distortion of the x-ray wavefront through the attenuation and deformation of the fringe pattern via a phase stepping process. Phase stepping describes image acquisition at regular phase intervals by shifting a grating in uniform steps. However, in practical conditions the actual phase intervals can vary from step to step and also spatially. Particularly with the advent of electromagnetic phase stepping without physical movement of a grating, the phase intervals are dependent upon the focal plane of interest. We describe a demodulation algorithm for phase stepping at arbitrary and position-dependent (APD phase intervals without assuming a priori knowledge of the phase steps. The algorithm retrospectively determines the spatial distribution of the phase intervals by a Fourier transform method. With this ability, grating-based x-ray imaging becomes more adaptable and robust for broader applications.

  12. Generation of bright attosecond x-ray pulse trains via Thomson scattering from laser-plasma accelerators.

    Science.gov (United States)

    Luo, W; Yu, T P; Chen, M; Song, Y M; Zhu, Z C; Ma, Y Y; Zhuo, H B

    2014-12-29

    Generation of attosecond x-ray pulse attracts more and more attention within the advanced light source user community due to its potentially wide applications. Here we propose an all-optical scheme to generate bright, attosecond hard x-ray pulse trains by Thomson backscattering of similarly structured electron beams produced in a vacuum channel by a tightly focused laser pulse. Design parameters for a proof-of-concept experiment are presented and demonstrated by using a particle-in-cell code and a four-dimensional laser-Compton scattering simulation code to model both the laser-based electron acceleration and Thomson scattering processes. Trains of 200 attosecond duration hard x-ray pulses holding stable longitudinal spacing with photon energies approaching 50 keV and maximum achievable peak brightness up to 1020 photons/s/mm2/mrad2/0.1%BW for each micro-bunch are observed. The suggested physical scheme for attosecond x-ray pulse trains generation may directly access the fastest time scales relevant to electron dynamics in atoms, molecules and materials.

  13. Collimating Montel mirror as part of a multi-crystal analyzer system for resonant inelastic x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jungho; Shi, Xianbo; Casa, Diego; Qian, Jun; Huang, XianRong; Gog, Thomas

    2016-07-01

    Advances in resonant inelastic x-ray scattering (RIXS) have come in lockstep with improvements in energy resolution. Currently, the best energy resolution at the Ir-L3 edge stands at ~25 meV, which is achieved using a diced Si spherical analyzer. An angular dispersion analyzer system using multiple flat crystals provides a promising way to achieve higher energy resolution, namely 10 meV or better, thereby overcoming the intrinsic energy resolution limit of diced spherical crystal analyzers. One essential component for a practical use of such multi-crystal systems is the xray collimation optics. In this work, a laterally graded, parabolic collimation Montel mirror was designed with larger than 10 mrad acceptance, collimating the x-ray beam to smaller than 100 μrad divergence at the Ir-L3 absorption energy. The x-ray collimation performance was investigated at beamline 27-ID of the Advanced Photon Source, using incident photons from a Diamond (111) monochromator illuminating a controlled 40 mrad divergence scattering source of 5 μm diameter. A flat Si (111) crystal served as the analyzer. It is found from experimental data and ray-tracing simulations, combined with metrology results, that the manufactured Montel mirror satisfies the required specifications of angular acceptance and collimated x-ray divergence for a high resolution RIXS spectrometer at the Ir-L3 edge.

  14. High Power Experiment of X-Band Thermionic Cathode RF Gun for Compton Scattering X-ray Source

    Science.gov (United States)

    Sakamoto, Fumito; Uesaka, Mitsuru; Dobashi, Katsuhiro; Yamamoto, Tomohiko; Meng, De; Urakawa, Junji; Higo, Toshiyasu; Akemoto, Mitsuo; Matsuo, Kenichi; Sakae, Hisaharu; Yamamoto, Masashi

    2006-11-01

    We are currently developing a compact monochromatic X-ray source based on laser-electron collision. To realize remarkably compact-, high-intensity- and highly-stable-system, we adopt an X-band multi-bunch liner accelerator (linac) and reliable Q-switch laser. The X-ray yields by the multi-bunch electron beam and Q-switch Nd: YAG laser of 1.4 J/10 ns (FWHM) (532 nm, second harmonic) is 107 photons/RF-pulse (108 photons/sec for 10 Hz operation). The injector of the system consists of a 3.5-cell X-band thermionic cathode RF gun and an alpha magnet. So far we have achieved beam generation from the X-band thermionic cathode RF gun. The peak beam energy is 2 MeV. This experimental high energy (˜2 MeV) beam generation from the X-band thermionic cathode RF gun is the first in the world. In this paper, we describe the system of the Compton scattering X-ray source based on the X-band linac, experimental results of X-band thermionic cathode RF gun and the details of the experimental setup for Compton scattering X-ray generation that are under construction.

  15. Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of dithianon and pyrimethanil.

    Science.gov (United States)

    Pöppler, Ann Christin; Corlett, Emily K; Pearce, Harriet; Seymour, Mark P; Reid, Matthew; Montgomery, Mark G; Brown, Steven P

    2017-03-01

    A single-crystal X-ray diffraction structure of a 1:1 cocrystal of two fungicides, namely dithianon (DI) and pyrimethanil (PM), is reported [systematic name: 5,10-dioxo-5H,10H-naphtho[2,3-b][1,4]dithiine-2,3-dicarbonitrile-4,6-dimethyl-N-phenylpyrimidin-2-amine (1/1), C14H4N2O2S2·C12H13N2]. Following an NMR crystallography approach, experimental solid-state magic angle spinning (MAS) NMR spectra are presented together with GIPAW (gauge-including projector augmented wave) calculations of NMR chemical shieldings. Specifically, experimental (1)H and (13)C chemical shifts are determined from two-dimensional (1)H-(13)C MAS NMR correlation spectra recorded with short and longer contact times so as to probe one-bond C-H connectivities and longer-range C...H proximities, whereas H...H proximities are identified in a (1)H double-quantum (DQ) MAS NMR spectrum. The performing of separate GIPAW calculations for the full periodic crystal structure and for isolated molecules allows the determination of the change in chemical shift upon going from an isolated molecule to the full crystal structure. For the (1)H NMR chemical shifts, changes of 3.6 and 2.0 ppm correspond to intermolecular N-H...O and C-H...O hydrogen bonding, while changes of -2.7 and -1.5 ppm are due to ring current effects associated with C-H...π interactions. Even though there is a close intermolecular S...O distance of 3.10 Å, it is of note that the molecule-to-crystal chemical shifts for the involved sulfur or oxygen nuclei are small.

  16. X-ray Diffuse Scattering Study of Local Distortions in Fe{1plusx}Te Induced by Excess Fe

    Energy Technology Data Exchange (ETDEWEB)

    X Liu; C Lee; Z Xu; J Wen; G Gu; W Ku; J Tranquada; J Hill

    2011-12-31

    We report x-ray diffuse scattering studies of the iron chalcogenide Fe{sub 1+x}Te as a function of doping and temperature for x = 0.03, 0.08, and 0.12. In all cases, remarkably strong, characteristic diffuse scattering is observed. This scattering extends throughout the Brillouin zone and exhibits a nonmonotonic decay away from the fundamental Bragg peaks, with a peaklike structure at a reduced q {approx} (0.3,0,0.6). We interpret this scattering as Huang diffuse scattering resulting from distortions induced by the interaction between the excess Fe and the FeTe layers. The form of the scattering indicates that this interaction is strong and extends a number of unit cells away from the interstitial Fe site. Further, the diffuse scattering shows a sudden decrease on cooling through the structural and magnetic phase transition, reflecting the first-order change of the electronic structure of FeTe.

  17. X-ray diffuse scattering study of local distortions in Fe1+xTe induced by excess Fe

    Science.gov (United States)

    Liu, X.; Lee, C.-C.; Xu, Z. J.; Wen, J. S.; Gu, G.; Ku, W.; Tranquada, J. M.; Hill, J. P.

    2011-05-01

    We report x-ray diffuse scattering studies of the iron chalcogenide Fe1+xTe as a function of doping and temperature for x=0.03, 0.08, and 0.12. In all cases, remarkably strong, characteristic diffuse scattering is observed. This scattering extends throughout the Brillouin zone and exhibits a nonmonotonic decay away from the fundamental Bragg peaks, with a peaklike structure at a reduced q≈(0.3,0,0.6). We interpret this scattering as Huang diffuse scattering resulting from distortions induced by the interaction between the excess Fe and the FeTe layers. The form of the scattering indicates that this interaction is strong and extends a number of unit cells away from the interstitial Fe site. Further, the diffuse scattering shows a sudden decrease on cooling through the structural and magnetic phase transition, reflecting the first-order change of the electronic structure of FeTe.

  18. X-ray Diffuse Scattering Study of Local Distortions in Fe1+xTe Induced by Excess Fe

    Energy Technology Data Exchange (ETDEWEB)

    Hill, J.P.; Liu, X.; Lee, C.-C.; Xu, Z.J.; Wen, J.S.; Gu, G.; Ku, W.; Tranquada, J.M.

    2011-05-01

    We report x-ray diffuse scattering studies of the iron chalcogenide Fe{sub 1+x}Te as a function of doping and temperature for x = 0.03, 0.08, and 0.12. In all cases, remarkably strong, characteristic diffuse scattering is observed. This scattering extends throughout the Brillouin zone and exhibits a nonmonotonic decay away from the fundamental Bragg peaks, with a peaklike structure at a reduced q {approx} (0.3,0,0.6). We interpret this scattering as Huang diffuse scattering resulting from distortions induced by the interaction between the excess Fe and the FeTe layers. The form of the scattering indicates that this interaction is strong and extends a number of unit cells away from the interstitial Fe site. Further, the diffuse scattering shows a sudden decrease on cooling through the structural and magnetic phase transition, reflecting the first-order change of the electronic structure of FeTe.

  19. Non-invasive predictors of human cortical bone mechanical properties: T(2-discriminated H NMR compared with high resolution X-ray.

    Directory of Open Access Journals (Sweden)

    R Adam Horch

    Full Text Available Recent advancements in magnetic resonance imaging (MRI have enabled clinical imaging of human cortical bone, providing a potentially powerful new means for assessing bone health with molecular-scale sensitivities unavailable to conventional X-ray-based diagnostics. To this end, (1H nuclear magnetic resonance (NMR and high-resolution X-ray signals from human cortical bone samples were correlated with mechanical properties of bone. Results showed that (1H NMR signals were better predictors of yield stress, peak stress, and pre-yield toughness than were the X-ray derived signals. These (1H NMR signals can, in principle, be extracted from clinical MRI, thus offering the potential for improved clinical assessment of fracture risk.

  20. Application of Small Angle X-ray Scattering (SAXS for Differentiation between Normal and Cancerous Breast Tissue

    Directory of Open Access Journals (Sweden)

    2005-07-01

    Full Text Available Introduction: Small angle, between 3° and 10°, X ray scattering is predominantly coherent giving rise to diffraction effects that can be observed as constructive and destructive interferences. These interferences carry information about the molecular structure of the tissue and hence can be used to identify changes that occur due to cancer. Method: In this study an energy dispersive X-ray diffraction method was used. The optimum scattering angle, determined from a series of measurements on adipose breast tissue at several angles from 4 to 7.3 degrees, was found to be 6.5°. Once optimized the system was used to measure the diffraction profiles (corrected scattered intensity versus momentum transfer of a total of 99 breast tissue samples. The samples were both normal and tumour samples. Results: Adipose tissue showed a sharp, high intensity peak at low momentum transfer values of approximately 1.1nm-1. Adipose tissue, mixed tissue (adipose & fibroglandular and tumor have peaks at different values of momentum transfer that can be used to identify the tissue. Benign and malignant breast tissues can also be differentiated by both peak positions and peak heights. It was also observed that the results were reproducible even after the tissue had been preserved at liquid nitrogen temperatures. Conclusion: We were able to differentiate between normal, benign and malignant breast tissues by using energy dispersive small angle x-ray scattering.

  1. Improvement of a high pressure cell with diamond windows for solution X-ray scattering of proteins

    CERN Document Server

    Nishikawa, Y; Inoko, Y; Moritoki, M

    2001-01-01

    An improved high pressure (up to 500 MPa) cell with diamond windows was developed for small-angle X-ray scattering of protein solutions. When the diamond window was subjected to high pressure, many streaks of parasitic scattering appeared. By changing the wavelength and performing simulations, it was concluded that they are Kossel lines. In order to obtain quantitative scattering data, it is essential that Kossel lines do not interfere with the beamstop. The performance of the improved cell was tested by using Apo-ferritin solutions.

  2. Advanced ensemble modelling of flexible macromolecules using X-ray solution scattering.

    Science.gov (United States)

    Tria, Giancarlo; Mertens, Haydyn D T; Kachala, Michael; Svergun, Dmitri I

    2015-03-01

    Dynamic ensembles of macromolecules mediate essential processes in biology. Understanding the mechanisms driving the function and molecular interactions of 'unstructured' and flexible molecules requires alternative approaches to those traditionally employed in structural biology. Small-angle X-ray scattering (SAXS) is an established method for structural characterization of biological macromolecules in solution, and is directly applicable to the study of flexible systems such as intrinsically disordered proteins and multi-domain proteins with unstructured regions. The Ensemble Optimization Method (EOM) [Bernadó et al. (2007 ▶). J. Am. Chem. Soc. 129, 5656-5664] was the first approach introducing the concept of ensemble fitting of the SAXS data from flexible systems. In this approach, a large pool of macromolecules covering the available conformational space is generated and a sub-ensemble of conformers coexisting in solution is selected guided by the fit to the experimental SAXS data. This paper presents a series of new developments and advancements to the method, including significantly enhanced functionality and also quantitative metrics for the characterization of the results. Building on the original concept of ensemble optimization, the algorithms for pool generation have been redesigned to allow for the construction of partially or completely symmetric oligomeric models, and the selection procedure was improved to refine the size of the ensemble. Quantitative measures of the flexibility of the system studied, based on the characteristic integral parameters of the selected ensemble, are introduced. These improvements are implemented in the new EOM version 2.0, and the capabilities as well as inherent limitations of the ensemble approach in SAXS, and of EOM 2.0 in particular, are discussed.

  3. Ion distributions at charged aqueous surfaces: Synchrotron X-ray scattering studies

    Energy Technology Data Exchange (ETDEWEB)

    Bu, Wei [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    Surface sensitive synchrotron X-ray scattering studies were performed to obtain the distribution of monovalent ions next to a highly charged interface at room temperature. To control surface charge density, lipids, dihexadecyl hydrogen-phosphate (DHDP) and dimysteroyl phosphatidic acid (DMPA), were spread as monolayer materials at the air/water interface, containing CsI at various concentrations. Five decades in bulk concentrations (CsI) are investigated, demonstrating that the interfacial distribution is strongly dependent on bulk concentration. We show that this is due to the strong binding constant of hydronium H3O+ to the phosphate group, leading to proton-transfer back to the phosphate group and to a reduced surface charge. Using anomalous reflectivity off and at the L3 Cs+ resonance, we provide spatial counterion (Cs+) distributions next to the negatively charged interfaces. The experimental ion distributions are in excellent agreement with a renormalized surface charge Poisson-Boltzmann theory for monovalent ions without fitting parameters or additional assumptions. Energy Scans at four fixed momentum transfers under specular reflectivity conditions near the Cs+ L3 resonance were conducted on 10-3 M CsI with DHDP monolayer materials on the surface. The energy scans exhibit a periodic dependence on photon momentum transfer. The ion distributions obtained from the analysis are in excellent agreement with those obtained from anomalous reflectivity measurements, providing further confirmation to the validity of the renormalized surface charge Poisson-Boltzmann theory for monovalent ions. Moreover, the dispersion corrections f0 and f00 for Cs+ around L3 resonance, revealing the local environment of a Cs+ ion in the solution at the interface, were extracted simultaneously with output of ion distributions.

  4. Advanced ensemble modelling of flexible macromolecules using X-ray solution scattering

    Directory of Open Access Journals (Sweden)

    Giancarlo Tria

    2015-03-01

    Full Text Available Dynamic ensembles of macromolecules mediate essential processes in biology. Understanding the mechanisms driving the function and molecular interactions of `unstructured' and flexible molecules requires alternative approaches to those traditionally employed in structural biology. Small-angle X-ray scattering (SAXS is an established method for structural characterization of biological macromolecules in solution, and is directly applicable to the study of flexible systems such as intrinsically disordered proteins and multi-domain proteins with unstructured regions. The Ensemble Optimization Method (EOM [Bernadó et al. (2007. J. Am. Chem. Soc. 129, 5656–5664] was the first approach introducing the concept of ensemble fitting of the SAXS data from flexible systems. In this approach, a large pool of macromolecules covering the available conformational space is generated and a sub-ensemble of conformers coexisting in solution is selected guided by the fit to the experimental SAXS data. This paper presents a series of new developments and advancements to the method, including significantly enhanced functionality and also quantitative metrics for the characterization of the results. Building on the original concept of ensemble optimization, the algorithms for pool generation have been redesigned to allow for the construction of partially or completely symmetric oligomeric models, and the selection procedure was improved to refine the size of the ensemble. Quantitative measures of the flexibility of the system studied, based on the characteristic integral parameters of the selected ensemble, are introduced. These improvements are implemented in the new EOM version 2.0, and the capabilities as well as inherent limitations of the ensemble approach in SAXS, and of EOM 2.0 in particular, are discussed.

  5. X-ray diffuse scattering for evaluation of wide bandgap semiconductor nuclear radiation detectors

    Energy Technology Data Exchange (ETDEWEB)

    Goorsky, M.S. [University of Southern California, Los Angeles, CA (United States). Dept. of Mater. Sci. and Eng.; Yoon, H. [University of Southern California, Los Angeles, CA (United States). Dept. of Mater. Sci. and Eng.; Schieber, M. [Hebrew Univ., Jerusalem (Israel). Graduate Sch. of Appl. Sci.; James, R.B. [Sandia Nat. Labs., Livermore, CA (United States). Dept. 8347; McGregor, D.S. [Sandia Nat. Labs., Livermore, CA (United States). Dept. 8347; Natarajan, M. [TN Technol., Round Rock, TX (United States)

    1996-10-01

    The crystalline perfection of solid state radiation detectors was examined using triple axis x-ray diffraction. Triple axis techniques provide a means to analyze the origin of diffraction peak broadening: the effects of strain (due to deviations in alloy composition or stoichiometry) and lattice tilts (mosaic structure) can be separated. Cd{sub 1-x}Zn{sub x}Te (x{approx}0.1), HgI{sub 2}, and GaAs detector materials were studied. In the cases of Cd{sub 1-x}Zn{sub x}Te and HgI{sub 2} the crystalline properties of detectors with different spectral responses to {gamma}-radiation were determined. Increased mosaicity was universally found to be related to deteriorated detector properties. For Cd{sub 1-x}Zn{sub x}Te, detectors with poor performance possessed greater levels of diffuse scatter due to lattice tilts than did high quality detectors. For GaAs, low angle grain boundaries were attributed to impaired detector performance. Additionally, in large HgI{sub 2} detectors, deviations from stoichiometry were also related to reduced performance. Interestingly, HgI{sub 2} detectors which possessed a sharp spectral response to {gamma}-radiation but also showed polarization were of comparable crystallinity to those detectors which did not exhibit polarization effects. This initial analysis suggests that polarization is related to native point defects or chemical impurities which do not significantly alter the crystallinity of the material. Overall, within a given class of materials, improved detector performance (better spectral response) always correlated with better material quality. (orig.).

  6. Elasticity of Pyrope at High Pressures and Temperatures by Brillouin Scattering and X-ray Diffraction

    Science.gov (United States)

    Lu, C.; Mao, Z.; Lin, J.; Prakapenka, V.

    2011-12-01

    Iron-containing pyrope ((Fe,Mg)3Al2Si3O12)) is believed to be an abundant rock-forming mineral in the Earth's interior, ranging from the crust to the top of the lower mantle. Based on the pyrolite mineralogical model, pyrope accounts for 13% by volume in the upper mantle and 10% in the transition zone. Therefore, laboratory measurements on the elasticity of pyrope at relevant pressure and temperature conditions are critical in understanding the seismic images and in constraining the chemistry and mineralogy of the region. The elasticity of single-crystal pyrope has been studied up to 20 GPa at 300 K and up to 1100 K at 1 bar, yet it has never been investigated at simultaneous high pressure-temperature conditions. Thus, much of our knowledge of the upper mantle and transition zone seismic profiles largely relies on extrapolated experimental results or theoretical calculations. Here we have measured the single-crystal elasticity of garnet, ((Mg2.04Ca0.16Fe0.74)Al2.02(SiO4)3) up to 20 GPa and 750 K using combined Brillouin scattering and synchrontron X-ray diffraction in an externally-heated diamond anvil cell at GSECARS of the Advanced Photon Source, Argonne National Laboratory. We have derived full elastic constants (Cij) of the sample as a function of pressure and temperature at relevant conditions of the deep mantle. The temperature derivatives of the Cijs are similar to that at ambient pressure, indicating a minimal pressure effect. Together with the elasticity of other major mantle minerals, we have used a thermoelastic model to reconstruct the seismic velocity profile of the upper mantle and the transition zone and to reference the mineralogy of the regions.

  7. An Assessment of Critical Dimension Small Angle X-ray Scattering Metrology for Advanced Semiconductor Manufacturing

    Energy Technology Data Exchange (ETDEWEB)

    Settens, Charles M. [State Univ. of New York (SUNY), Albany, NY (United States)

    2015-01-01

    Simultaneous migration of planar transistors to FinFET architectures, the introduction of a plurality of materials to ensure suitable electrical characteristics, and the establishment of reliable multiple patterning lithography schemes to pattern sub-10 nm feature sizes imposes formidable challenges to current in-line dimensional metrologies. Because the shape of a FinFET channel cross-section immediately influences the electrical characteristics, the evaluation of 3D device structures requires measurement of parameters beyond traditional critical dimension (CD), including their sidewall angles, top corner rounding and footing, roughness, recesses and undercuts at single nanometer dimensions; thus, metrologies require sub-nm and approaching atomic level measurement uncertainty. Synchrotron critical dimension small angle X-ray scattering (CD-SAXS) has unique capabilities to non-destructively monitor the cross-section shape of surface structures with single nanometer uncertainty and can perform overlay metrology to sub-nm uncertainty. In this dissertation, we perform a systematic experimental investigation using CD-SAXS metrology on a hierarchy of semiconductor 3D device architectures including, high-aspect-ratio contact holes, H2 annealed Si fins, and a series of grating type samples at multiple points along a FinFET fabrication process increasing in structural intricacy and ending with fully fabricated FinFET. Comparative studies between CD-SAXS metrology and other relevant semiconductor dimensional metrologies, particularly CDSEM, CD-AFM and TEM are used to determine physical limits of CD-SAXS approach for advanced semiconductor samples. CD-SAXS experimental tradeoffs, advice for model-dependent analysis and thoughts on the compatibility with a semiconductor manufacturing environment are discussed.

  8. Qualification of a high-efficiency, gated spectrometer for x-ray Thomson scattering on the National Ignition Facility

    Energy Technology Data Exchange (ETDEWEB)

    Döppner, T.; Kritcher, A. L.; Bachmann, B.; Burns, S.; Hawreliak, J.; House, A.; Landen, O. L.; LePape, S.; Ma, T.; Pak, A.; Swift, D. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Neumayer, P. [Gesellschaft für Schwerionenphysik, 64291 Darmstadt (Germany); Kraus, D. [University of California, Berkeley, California 94720 (United States); Falcone, R. W. [University of California, Berkeley, California 94720 (United States); Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Glenzer, S. H. [SLAC National Accelerator Laboratory, Menlo Park, California 94309 (United States)

    2014-11-15

    We have designed, built, and successfully fielded a highly efficient and gated Bragg crystal spectrometer for x-ray Thomson scattering measurements on the National Ignition Facility (NIF). It utilizes a cylindrically curved Highly Oriented Pyrolytic Graphite crystal. Its spectral range of 7.4–10 keV is optimized for scattering experiments using a Zn He-α x-ray probe at 9.0 keV or Mo K-shell line emission around 18 keV in second diffraction order. The spectrometer has been designed as a diagnostic instrument manipulator-based instrument for the NIF target chamber at the Lawrence Livermore National Laboratory, USA. Here, we report on details of the spectrometer snout, its novel debris shield configuration and an in situ spectral calibration experiment with a Brass foil target, which demonstrated a spectral resolution of E/ΔE = 220 at 9.8 keV.

  9. Thomson scattering laser-electron X-ray source for reduction of patient radiation dose in interventional coronary angiography

    Science.gov (United States)

    Artyukov, I. A.; Dyachkov, N. V.; Feshchenko, R. M.; Polunina, A. V.; Popov, N. L.; Shvedunov, V. I.; Vinogradov, A. V.

    2017-05-01

    It was medical applications that stimulated F. Carrol in the early 1990s to start the research of on relativistic Thomson scattering X-ray sources, as a part of the infrastructure of the future society. The possibility to use such a source in interventional cardiology is discussed in this paper. The replacement of X-ray tube by relativistic Thomson scattering Xray source is predicted to lower the patient radiation dose by a factor of 3 while image quality remains the same. The required general characteristics of accelerator and laser units are found. They can be reached by existing technology. A semiempirical method for simulation of medical and technical parameters of interventional coronary angiography systems is suggested.

  10. 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...

  11. A portable high-field pulsed-magnet system for single-crystal x-ray scattering studies.

    Science.gov (United States)

    Islam, Zahirul; Ruff, Jacob P C; Nojiri, Hiroyuki; Matsuda, Yasuhiro H; Ross, Kathryn A; Gaulin, Bruce D; Qu, Zhe; Lang, Jonathan C

    2009-11-01

    We present a portable pulsed-magnet system for x-ray studies of materials in high magnetic fields (up to 30 T). The apparatus consists of a split-pair of minicoils cooled on a closed-cycle cryostat, which is used for x-ray diffraction studies with applied field normal to the scattering plane. A second independent closed-cycle cryostat is used for cooling the sample to near liquid helium temperatures. Pulsed magnetic fields (approximately 1 ms in total duration) are generated by discharging a configurable capacitor bank into the magnet coils. Time-resolved scattering data are collected using a combination of a fast single-photon counting detector, a multichannel scaler, and a high-resolution digital storage oscilloscope. The capabilities of this instrument are used to study a geometrically frustrated system revealing strong magnetostrictive effects in the spin-liquid state.

  12. Performance of the micro-PIC gaseous area detector in small-angle X-ray scattering experiments.

    Science.gov (United States)

    Hattori, Kaori; Tsuchiya, Ken'ichi; Ito, Kazuki; Okada, Yoko; Fujii, Kotaro; Kubo, Hidetoshi; Miuchi, Kentaro; Takata, Masaki; Tanimori, Toru; Uekusa, Hidehiro

    2009-03-01

    The application of a two-dimensional photon-counting detector based on a micro-pixel gas chamber (micro-PIC) to high-resolution small-angle X-ray scattering (SAXS), and its performance, are reported. The micro-PIC is a micro-pattern gaseous detector fabricated by printed circuit board technology. This article describes the performance of the micro-PIC in SAXS experiments at SPring-8. A dynamic range of >10(5) was obtained for X-ray scattering from a polystyrene sphere solution. A maximum counting rate of up to 5 MHz was observed with good linearity and without saturation. For a diffraction pattern of collagen, weak peaks were observed in the high-angle region in one accumulation of photons.

  13. X-Ray Polarimetry

    CERN Document Server

    Kaaret, Philip

    2014-01-01

    We review the basic principles of X-ray polarimetry and current detector technologies based on the photoelectric effect, Bragg reflection, and Compton scattering. Recent technological advances in high-spatial-resolution gas-filled X-ray detectors have enabled efficient polarimeters exploiting the photoelectric effect that hold great scientific promise for X-ray polarimetry in the 2-10 keV band. Advances in the fabrication of multilayer optics have made feasible the construction of broad-band soft X-ray polarimeters based on Bragg reflection. Developments in scintillator and solid-state hard X-ray detectors facilitate construction of both modular, large area Compton scattering polarimeters and compact devices suitable for use with focusing X-ray telescopes.

  14. Arsenic speciation by X-ray spectroscopy using resonant Raman Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez, H.J.; Leani, J.J. [Universidad Nacional de Cordoba, Cba (Argentina); Perez, C.A. [Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, SP (Brazil)

    2012-07-01

    Full text: The toxicity of arsenic species is widely known. A realistic evaluation of the risk posed by As depends on accurate determination of As speciation, because its toxicity and mobility varies with oxidation state and chemical environment. The most toxic species are inorganic As (III) and As (V) called respectively arsenite or trivalent arsenic, and arsenate or pentavalent arsenic. Recently, x-ray Resonant Raman Scattering spectroscopy has been successfully employed to determine the oxidation state of metals. In this work we use RRS spectroscopy to perform arsenic speciation. The measurements were carried out in XRF station of the D09B-XRF beamline at the Brazilian synchrotron facility (LNLS, Campinas). Mineral samples of As in different oxidation states (As(III) and AS(V)), and two biological forms of arsenic (monomethylarsonic acid (MMA(V) and dimethylarsinic acid DMA(V)) were analysed. The samples were diluted, deposited on silicon wafers and allowed to dry. The amount of liquid deposited on the reflector before evaporation was 20 microliters for all the specimens. These samples were irradiated with monochromatic photons of 11816 eV, i.e., below the K-edge of arsenic in order to inspect the Raman emissions. The measuring lifetime was 3600 sec for each sample. Spectra were analysed with specific programs for spectrum analysis using non-conventional functions for data fitting, i.e., modified Voight functions (for Compton peaks), Gaussian functions for fluorescent and for low intensity peaks (such as escape peaks and other contributions), and polynomial functions for the background. Raman peaks were fitted using specific functions. In this work we have shown that resonant Raman scattering spectroscopy can be used to analyse arsenic species. The method is very simple and reliable. The most important feature of this method relies in the possibility of using the same spectrometer of XRF analysis or TXRF analysis. In this way, practically in the same experiment

  15. Physical analysis of the shielding capacity for a lightweight apron designed for shielding low intensity scattering X-rays

    OpenAIRE

    Seon Chil Kim; Jeong Ryeol Choi; Byeong Kyou Jeon

    2016-01-01

    The purpose of this paper is to develop a lightweight apron that will be used for shielding low intensity radiation in medical imaging radiography room and to apply it to a custom-made effective shielding. The quality of existing aprons made for protecting our bodies from direct radiation are improved so that they are suitable for scattered X-rays. Textiles that prevent bodies from radiation are made by combining barium sulfate and liquid silicon. These materials have the function of shieldin...

  16. Small angle X-ray scattering and transmission electron microscopy study of the Lactobacillus brevis S-layer protein

    Science.gov (United States)

    Jääskeläinen, Pentti; Engelhardt, Peter; Hynönen, Ulla; Torkkeli, Mika; Palva, Airi; Serimaa, Ritva

    2010-10-01

    The structure of self-assembly domain containing recombinant truncation mutants of Lactobacillus brevis surface layer protein SlpA in aqueous solution was studied using small-angle X-ray scattering and transmission electron microscopy. The proteins were found out to interact with each other forming stable globular oligomers of about 10 monomers. The maximum diameter of the oligomers varied between 75 Å and 435 Å.

  17. Small angle X-ray scattering and transmission electron microscopy study of the Lactobacillus brevis S-layer protein

    Energy Technology Data Exchange (ETDEWEB)

    Jaeaeskelaeinen, Pentti [Department of Biomedical Engineering and Computational Science, PO Box 2200, FI-02015 Aalto University School of Science and Technology (Finland); Engelhardt, Peter [Haartman Institute, Department of Pathology, PO Box 21, FIN-00014 University of Helsinki (Finland); Hynoenen, Ulla; Palva, Airi [Department of Basic Veterinary Sciences, Division of Microbiology, FIN-00014 University of Helsinki (Finland); Torkkeli, Mika; Serimaa, Ritva, E-mail: ritva.serimaa@helsinki.f [Department of Physics, POB 64, 00014 University of Helsinki (Finland)

    2010-10-01

    The structure of self-assembly domain containing recombinant truncation mutants of Lactobacillus brevis surface layer protein SlpA in aqueous solution was studied using small-angle X-ray scattering and transmission electron microscopy. The proteins were found out to interact with each other forming stable globular oligomers of about 10 monomers. The maximum diameter of the oligomers varied between 75 A and 435 A.

  18. Study of texture effect on elastic properties of Au thin films by x-ray diffraction and Brillouin light scattering

    Energy Technology Data Exchange (ETDEWEB)

    Faurie, D [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Djemia, P [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Renault, P-O [LMP, UMR 6630 CNRS, Universite de Poitiers, 86962 Futuroscope (France); Roussigne, Y [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Cherif, S M [LPMTM, UPR 9001 CNRS, Universite Paris-Nord, 93430 Villetaneuse (France); Bourhis, E Le [LMP, UMR 6630 CNRS, Universite de Poitiers, 86962 Futuroscope (France); Goudeau, Ph [LMP, UMR 6630 CNRS, Universite de Poitiers, 86962 Futuroscope (France)

    2007-12-15

    We have shown a strong texture effect on elastic properties of gold thin films deposited by physical vapour deposition. Elastic properties of non-textured and {l_brace}111{r_brace} fiber textured gold thin films were investigated by x-ray diffraction combined with in-situ tensile testing and Brillouin light scattering. These static and dynamic methods allowed characterizing the local and macroscopic elastic behavior of gold films.

  19. Stationary and dispersive features in resonant inelastic soft X-ray scattering at the Ge 3p resonances

    Energy Technology Data Exchange (ETDEWEB)

    Glover, C.J. [Department of Electronic Materials Engineering, Australian National University, Canberra, ACT 0200 (Australia); Schmitt, T. [SLS, Paul Scherrer Institut, PSI West, CH-5232 Villigen PSI (Switzerland); Mattesini, M. [Departamento de Fisica de la Tierra, Astronomia y Astrofisica I, Universidad Complutense de Madrid, E-28040 (Spain); Adell, M.; Ilver, L.; Kanski, J. [Chalmers University of Technology, SE-412 96 Goeteborg (Sweden); Kjeldgaard, L. [MAX-lab, Lund University, P.O. Box 118, SE-22100 Lund (Sweden); Agaker, M. [Department of Physics and Materials Science, Uppsala University, PO Box 530, SE-751 21 Uppsala (Sweden); Martensson, N. [MAX-lab, Lund University, P.O. Box 118, SE-22100 Lund (Sweden); Department of Physics and Materials Science, Uppsala University, PO Box 530, SE-751 21 Uppsala (Sweden); Ahuja, R.; Nordgren, J. [Department of Physics and Materials Science, Uppsala University, PO Box 530, SE-751 21 Uppsala (Sweden); Rubensson, J.-E. [Department of Physics and Materials Science, Uppsala University, PO Box 530, SE-751 21 Uppsala (Sweden)], E-mail: jan-erik.rubensson@fysik.uu.se

    2009-07-15

    Resonant inelastic soft X-ray scattering at the 3p resonances in crystalline Ge is presented. Both stationary and dispersive features are observed in a wide energy range above as well as below the ionization limits. These observations are in agreement with theoretical predictions based on a two-step model where the initially excited electron has no influence on the emission step. Excess population of states in the conduction band is found, and discussed in terms of attosecond electron dynamics.

  20. Diagnosing Direct-Drive, Shock-Heated, and Compressed Plastic Planar Foils with Noncollective Spectrally Resolved X-Ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Sawada, H.; Regan, S.P.; Meyerhofer, D.D.; Igumenshchev, I.V.; Goncharov, V.N.; Boehly, T.R.; Epstein, R.; Sangster, T.C.; Smalyuk, V.A.; Yaakobi, B.; Gregori, G.; Glenzer, S.H.; Landen, O.L.

    2007-12-14

    The electron temperature (Te) and average ionization (Z) of nearly Fermi-degenerate, direct-drive, shock-heated, and compressed plastic planar foils were investigated using noncollective spectrally resolved x-ray scattering on the OMEGA Laser System. Plastic (CH) and Br-doped CH foils were driven with six beams, having an overlapped intensity of ~1 × 10^14 W/cm^2 and generating ~15-Mbar pressure in the foil.