WorldWideScience

Sample records for atomic multipole x-ray

  1. Polarizable atomic multipole X-ray refinement: application to peptide crystals

    OpenAIRE

    Schnieders, Michael J.; Fenn, Timothy D.; Pande, Vijay S.; Brunger, Axel T.

    2009-01-01

    Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (F...

  2. Polarizable Atomic Multipole X-Ray Refinement: Hydration Geometry and Application to Macromolecules

    OpenAIRE

    Fenn, Timothy D.; Schnieders, Michael J; Brunger, Axel T.; Pande, Vijay S.

    2010-01-01

    We recently developed a polarizable atomic multipole refinement method assisted by the AMOEBA force field for macromolecular crystallography. Compared to standard refinement procedures, the method uses a more rigorous treatment of x-ray scattering and electrostatics that can significantly improve the resultant information contained in an atomic model. We applied this method to high-resolution lysozyme and trypsin data sets, and validated its utility for precisely describing biomolecular elect...

  3. Polarizable atomic multipole X-ray refinement: application to peptide crystals

    International Nuclear Information System (INIS)

    A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time. Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussian multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA–IAS model lowered Rfree by 20–40% relative to the original spherically symmetric scattering model

  4. Polarizable atomic multipole X-ray refinement: application to peptide crystals

    Energy Technology Data Exchange (ETDEWEB)

    Schnieders, Michael J. [Department of Chemistry, Stanford, CA 94305 (United States); Fenn, Timothy D. [Department of Molecular and Cellular Physiology, Stanford, CA 94305 (United States); Howard Hughes Medical Institute (United States); Pande, Vijay S., E-mail: pande@stanford.edu [Department of Chemistry, Stanford, CA 94305 (United States); Brunger, Axel T., E-mail: pande@stanford.edu [Department of Molecular and Cellular Physiology, Stanford, CA 94305 (United States); Howard Hughes Medical Institute (United States); Department of Chemistry, Stanford, CA 94305 (United States)

    2009-09-01

    A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time. Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussian multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA–IAS model lowered R{sub free} by 20–40% relative to the original spherically symmetric scattering model.

  5. Polarizable atomic multipole X-ray refinement: application to peptide crystals.

    Science.gov (United States)

    Schnieders, Michael J; Fenn, Timothy D; Pande, Vijay S; Brunger, Axel T

    2009-09-01

    Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussian multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA-IAS model lowered R(free) by 20-40% relative to the original spherically symmetric scattering model. PMID:19690373

  6. Polarizable atomic multipole x-ray refinement: hydration geometry and application to macromolecules.

    Science.gov (United States)

    Fenn, Timothy D; Schnieders, Michael J; Brunger, Axel T; Pande, Vijay S

    2010-06-16

    We recently developed a polarizable atomic multipole refinement method assisted by the AMOEBA force field for macromolecular crystallography. Compared to standard refinement procedures, the method uses a more rigorous treatment of x-ray scattering and electrostatics that can significantly improve the resultant information contained in an atomic model. We applied this method to high-resolution lysozyme and trypsin data sets, and validated its utility for precisely describing biomolecular electron density, as indicated by a 0.4-0.6% decrease in the R- and R(free)-values, and a corresponding decrease in the relative energy of 0.4-0.8 Kcal/mol/residue. The re-refinements illustrate the ability of force-field electrostatics to orient water networks and catalytically relevant hydrogens, which can be used to make predictions regarding active site function, activity, and protein-ligand interaction energies. Re-refinement of a DNA crystal structure generates the zigzag spine pattern of hydrogen bonding in the minor groove without manual intervention. The polarizable atomic multipole electrostatics model implemented in the AMOEBA force field is applicable and informative for crystal structures solved at any resolution. PMID:20550911

  7. Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular Crystals.

    Science.gov (United States)

    Schnieders, Michael J; Fenn, Timothy D; Pande, Vijay S

    2011-04-12

    Refinement of macromolecular models from X-ray crystallography experiments benefits from prior chemical knowledge at all resolutions. As the quality of the prior chemical knowledge from quantum or classical molecular physics improves, in principle so will resulting structural models. Due to limitations in computer performance and electrostatic algorithms, commonly used macromolecules X-ray crystallography refinement protocols have had limited support for rigorous molecular physics in the past. For example, electrostatics is often neglected in favor of nonbonded interactions based on a purely repulsive van der Waals potential. In this work we present advanced algorithms for desktop workstations that open the door to X-ray refinement of even the most challenging macromolecular data sets using state-of-the-art classical molecular physics. First we describe theory for particle mesh Ewald (PME) summation that consistently handles the symmetry of all 230 space groups, replicates of the unit cell such that the minimum image convention can be used with a real space cutoff of any size and the combination of space group symmetry with replicates. An implementation of symmetry accelerated PME for the polarizable atomic multipole optimized energetics for biomolecular applications (AMOEBA) force field is presented. Relative to a single CPU core performing calculations on a P1 unit cell, our AMOEBA engine called Force Field X (FFX) accelerates energy evaluations by more than a factor of 24 on an 8-core workstation with a Tesla GPU coprocessor for 30 structures that contain 240 000 atoms on average in the unit cell. The benefit of AMOEBA electrostatics evaluated with PME for macromolecular X-ray crystallography refinement is demonstrated via rerefinement of 10 crystallographic data sets that range in resolution from 1.7 to 4.5 Å. Beginning from structures obtained by local optimization without electrostatics, further optimization using AMOEBA with PME electrostatics improved

  8. Polarizable atomic multipole X-ray refinement: weighting schemes for macromolecular diffraction.

    Science.gov (United States)

    Fenn, T D; Schnieders, M J

    2011-11-01

    In the past, weighting between the sum of chemical and data-based targets in macromolecular crystallographic refinement was based on comparing the gradients or Hessian diagonal terms of the two potential functions. Here, limitations of this scheme are demonstrated, especially in the context of a maximum-likelihood target that is inherently weighted by the model and data errors. In fact, the congruence between the maximum-likelihood target and a chemical potential based on polarizable atomic multipole electrostatics evaluated with Ewald summation has opened the door to a transferable static weight. An optimal static weight is derived from first principles and is demonstrated to be transferable across a broad range of data resolutions in the context of a recent implementation of X-ray crystallographic refinement using the polarizable AMOEBA force field and it is shown that the resulting models are balanced with respect to optimizing both R(free) and MolProbity scores. Conversely, the classical automatic weighting scheme is shown to lead to underfitting or overfitting of the data and poor model geometry. The benefits of this approach for low-resolution diffraction data, where the need for prior chemical information is of particular importance, are also highlighted. It is demonstrated that this method is transferable between low- and high-resolution maximum-likelihood-based crystallographic refinement, which proves for the first time that resolution-dependent parameterization of either the weight or the chemical potential is unnecessary. PMID:22101822

  9. Multipoles, Magnetic charges and chiral properties in antiferromagnetic materials inferred from resonant X-Ray diffraction

    OpenAIRE

    Rodríguez Fernández, Ángel

    2014-01-01

    In the last decades, the interesting features behind the exotic orderings of materials have attracted the attention of many scientists. This new physics can be related to the magnetic and charge multipoles defined by a few electrons around the atomic core in the valence states. The uses of x-rays and neutrons techniques, due to the huge development of large facilities as synchrotrons and spallation sources, have revealed many of these behaviours. In the case of synchrotron sources, photon...

  10. Analysis of azimuthal-angle scans in resonant X-ray Bragg diffraction and parity even and odd atomic multipoles in the multiferroic modification of the terbium manganate, TbMnO3

    International Nuclear Information System (INIS)

    We present a theoretical analysis of resonant x-ray Bragg diffraction data from multiferroic TbMnO3 presented by Mannix et al PRB76, 184420 and Voigt et al. PRB 76, 104431. We have chosen an approach that does not rely on knowledge of the low-temperature phase space group of the sample, which is not precisely known. Results show that the low-temperature satellite reflections originate from dipole-dipole (E1-E1) and dipole-quadrupole (E1-E2) events. Presence on quadrupole-quadrupole (E2-E2) events can be excluded. The physical origin of the data is discussed in terms of atomic multipoles that represent magnetization, lattice distortions, and magneto-electric properties of the Tb and Mn ions. A handed cycloid of atomic multipoles, traced out in the b-c plane, is shown to be a plausible model of the Tb electron structure within a multiferroic modification that exists in the temperature interval 7 K < T < 28 K. (author)

  11. X-ray Emission of Hollow Atoms

    Institute of Scientific and Technical Information of China (English)

    ZhaoYongtao; XiaoGuoqing; ZhangXiaoan; YangZhihu; ChenXimeng; ZhangYanping

    2003-01-01

    We have systematically investigated the X-rays emission of hollow atoms (HA) which formed in the interaction of highly charged ions with a variety of solid surfaces at the atomic physics experimental setup of IMP. The X-ray spectra were measured by Si(Li) detectors with effective energy ranging from 1 keV to 60 keV. The results show that, the X-ray emission from the formed HA is closely correlated with the charge state of the projectile ions, and weakly correlated with the velocity of the projectile ions. For example, it was found that when Ar18+ ions interact with Be-target, the yield of K X-ray with character energy of 3.0 keV is 7.2×10-3 per ion, which is two times and 5 order of magnitude higher than those in the interactions of Ar17+ and Ar16+ ions respectively. When Ar15+ ions interact with the same targets, the Argon K X-ray would be too feeble to be detected. The X-ray yield with single ion in this experiment can be represented by the following equation,

  12. A X-ray scanning machine for imaging atomic elements

    OpenAIRE

    Fenelon, A.G.R

    1988-01-01

    X-ray computer axial tomography is a well established technique for producing images which show the spatial variation of X-ray linear attenuation coefficient within an object. X-ray differential K absorbtion edge tomography is the application of computer axial tomography to form images of selected atomic elements within an object, and these images show the distribution of specific atomic element concentration. The technique is to measure the attenuation of X-rays on either side of the K a...

  13. Studies of atomic processes for x-ray lasers and x-ray sources

    International Nuclear Information System (INIS)

    A computer tool for displaying Grotrian diagram of atomic energy level structure is developed, which uses computed atomic data from the HULLAC code. This tool is intended for providing atomic data of complex multiply charged ions for modeling x-ray lasers and x-ray sources. Visualization of the atomic structure using the Grotrian tool appears to be useful for identifying dominant ionization/excitation processes and emission channels in the plasma. (author)

  14. Studies of atomic processes for x-ray lasers and x-ray sources

    International Nuclear Information System (INIS)

    An integrated system of computational atomic database for spectroscopic investigation of x-ray lasers and x-ray sources is developed. The system consists of atomic data codes, database, a collisional radiative code, and programs for visualizing spectrum. Gain of Ni-like La laser is analyzed using the model. Furthermore, EUV spectrum from Xe is investigated, to identify measured transition arrays in 10 nm to 16 nm for the EUV light source. (author)

  15. X-ray holography with an atomic scatterer.

    Science.gov (United States)

    Mityureva, A A; Smirnov, V V

    2016-08-01

    X-ray holography scheme with reference scatterer consisting of heavy atom as reference center and its link to an object consisting of several light atoms and using controlled variation of the alignment is represented. The scheme can reproduce an object in three dimensions with atomic resolution. The distorting factors of reconstruction are considered. PMID:27137096

  16. X-ray spectroscopy of kaonic atoms at SIDDHARTA

    Science.gov (United States)

    Cargnelli, M.; Bazzi, M.; Beer, G.; Berucci, C.; Bragadireanu, A. M.; Curceanu, C.; d'Uffizi, A.; Fiorini, C.; Ghio, F.; Guaraldo, C.; Hayano, R.; Iliescu, M.; Ishiwatari, T.; Iwasaki, M.; Levi Sandri, P.; Marton, J.; Okada, S.; Pietreanu, D.; Ponta, T.; Quaglia, R.; Romero Vidal, A.; Sbardella, E.; Scordo, A.; Shi, H.; Sirghi, D. L.; Sirghi, F.; Tatsuno, H.; Vazquez Doce, O.; Widmann, E.; Wünschek, B.; Zmeskal, J.

    2014-06-01

    The X-ray measurements of kaonic atoms play an important role for understanding the low-energy QCD in the strangeness sector. The SIDDHARTA experiment studied the X-ray transitions of 4 light kaonic atoms (H, D, 3He, and 4He) using the DAFNE electron-positron collider at LNF (Italy). Most precise values of the shift and width of the kaonic hydrogen 1s state were determined, which have been now used as fundamental information for the low-energy K-p interaction in theoretical studies. An upper limit of the X-ray yield of kaonic deuterium was derived, important for future K-d experiments. The shifts and widths of the kaonic 3He and 4He 2p states were obtained, confirming the end of the "kaonic helium puzzle". In this contribution also the plans for new experiments of kaonic deuterium are being presented.

  17. X-ray spectroscopy of kaonic atoms at SIDDHARTA

    Directory of Open Access Journals (Sweden)

    Cargnelli M.

    2014-06-01

    Full Text Available The X-ray measurements of kaonic atoms play an important role for understanding the low-energy QCD in the strangeness sector. The SIDDHARTA experiment studied the X-ray transitions of 4 light kaonic atoms (H, D, 3He, and 4He using the DAFNE electron-positron collider at LNF (Italy. Most precise values of the shift and width of the kaonic hydrogen 1s state were determined, which have been now used as fundamental information for the low-energy K−p interaction in theoretical studies. An upper limit of the X-ray yield of kaonic deuterium was derived, important for future K−d experiments. The shifts and widths of the kaonic 3He and 4He 2p states were obtained, confirming the end of the “kaonic helium puzzle”. In this contribution also the plans for new experiments of kaonic deuterium are being presented.

  18. Atomic Forces for Geometry-Dependent Point Multipole and Gaussian Multipole Models

    OpenAIRE

    Elking, Dennis M.; Perera, Lalith; Duke, Robert; Darden, Thomas; Pedersen, Lee G.

    2010-01-01

    In standard treatments of atomic multipole models, interaction energies, total molecular forces, and total molecular torques are given for multipolar interactions between rigid molecules. However, if the molecules are assumed to be flexible, two additional multipolar atomic forces arise due to 1) the transfer of torque between neighboring atoms, and 2) the dependence of multipole moment on internal geometry (bond lengths, bond angles, etc.) for geometry-dependent multipole models. In the curr...

  19. L x rays emitted from multiply ionized holmium atoms

    International Nuclear Information System (INIS)

    Spectra of L x rays emitted from Ho targets bombarded by 10 keV electrons and 6 MeV/amu C, Ne, Ar, Kr, and Xe ions were measured in high resolution using a curved crystal spectrometer. The spectra were analyzed in order to examine the systematic evolution of the L x-ray satellite structure as a function of projectile atomic number. Scaling rules are established for the apparent average M-shell spectator vacancy fraction and apparent average double to single L-vacancy population ratio at the time of L x-ray emission. The results are compared to those obtained for K-shell ionizing collisions and with predictions of the geometrical model

  20. X-ray refractive index of laser-dressed atoms

    CERN Document Server

    Buth, Christian

    2008-01-01

    We investigated the complex index of refraction in the x-ray regime of atoms in laser light. The laser (intensity up to 10^13 W/cm^2, 800nm) modifies the atomic states but, by assumption, does not excite or ionize the atoms in their electronic ground state. Using quantum electrodynamics, we devise an ab initio theory to calculate the dynamic dipole polarizability and the photoabsorption cross section, which are subsequently used to determine the real and imaginary part, respectively, of the refractive index. The interaction with the laser is treated nonperturbatively; the x-ray interaction is described in terms of a one-photon process. We numerically solve the resolvents involved using a single-vector Lanczos algorithm. Finally, we formulate rate equations to copropagate a laser and an x-ray pulse through a gas cell. Our theory is applied to argon. We study the x-ray polarizability and absorption near the argon K edge over a large range of dressing-laser intensities. We find electromagnetically induced transp...

  1. Transient x-ray absorption spectroscopy of hydrated halogen atom

    CERN Document Server

    Elles, Christopher G; Crowell, Robert A; Arms, Dohn A; Landahl, Eric C

    2007-01-01

    Time-resolved x-ray absorption spectroscopy monitors the transient species generated by one-photon detachment of an electron from aqueous bromide. Hydrated bromine atoms with a lifetime of ca. 17 ns were observed, nearly half of which react with excess Br- to form Br2-. The K-edge spectra of the Br atom and Br2- anion exhibit distinctive resonant transitions that are absent for the Br- precursor. The absorption spectra indicate that the solvent shell around a Br0 atom is defined primarily by hydrophobic interactions, in agreement with a Monte Carlo simulation of the solvent structure.

  2. Disentangling multipole resonances through a full x-ray polarization analysis

    OpenAIRE

    Mazzoli, C.; Wilkins, S. B.; Di Matteo, S.; Detlefs, B.; Detlefs, C.; Scagnoli, V.; Paolasini, L.; P. Ghigna

    2006-01-01

    Complete polarization analysis applied to resonant x-ray scattering at the Cr K-edge in K2CrO4 shows that incident linearly polarized x-rays can be converted into circularly polarized x-rays by diffraction at the Cr pre-edge (E = 5994 eV). The physical mechanism behind this phenomenon is a subtle interference effect between purely dipole (E1-E1) and purely quadrupole (E2-E2) transitions, leading to a phase shift between the respective scattering amplitudes. This effect may be exploited to dis...

  3. Diagnosing the accretion flow in ultraluminous X-ray sources using soft X-ray atomic features

    OpenAIRE

    Middleton, M.J.; Walton, D.J.; Fabian, A.; Roberts, T. P.; Heil, L.; Pinto, C.; Anderson, G; Sutton, A.

    2015-01-01

    The lack of unambiguous detections of atomic features in the X-ray spectra of ultraluminous X-ray sources (ULXs) has proven a hindrance in diagnosing the nature of the accretion flow. The possible association of spectral residuals at soft energies with atomic features seen in absorption and/or emission and potentially broadened by velocity dispersion could therefore hold the key to understanding much about these enigmatic sources. Here we show for the first time that such residuals are seen i...

  4. Simulation studies of atomic resolution X-ray holography

    Indian Academy of Sciences (India)

    Yogesh Kashyap; P S Sarkar; Amar Sinha; B K Godwal

    2004-02-01

    X-ray holography is a new method of structure determination based on measurement of interference of a known reference wave with an unknown object wave (containing information on atomic sites scattering the reference wave) so that phase information is preserved. Unlike X-ray diffraction, it does not demand for translational periodicity in the material. It is based on the idea similar to that of optical holography and has been tested on crystals, quasicrystals, thin films and doped semiconductors for their structure determination. In order to analyse potentials and limitations of this technique, we have carried out theoretical simulation studies on simple structures. In this paper we describe the basic algorithm of hologram generation and reconstruction of atomic positions from generated data. We illustrate this technique using Fe (bcc) single crystal as sample case to demonstrate its capabilities and limitations. Simulations were carried out on the Cu (fcc) structure and on complex structure such as the Al–Pd–Mn quasicrystal. Technical issues such as low signal to noise ratio, twin image problem etc have been discussed briefly to emphasize the need for high intensity X-ray source such as synchrotron for experiments and proper reconstruction algorithm. Finally the scope and potential of this technique have been discussed.

  5. Updated Atomic Data and Calculations for X-ray Spectroscopy

    CERN Document Server

    Foster, A R; Smith, R K; Brickhouse, N S

    2012-01-01

    We describe the latest release of AtomDB, version 2.0.2, a database of atomic data and a plasma modeling code with a focus on X-ray astronomy. This release includes several major updates to the fundamental atomic structure and process data held within AtomDB, incorporating new ionization balance data, state-selective recombination data, and updated collisional excitation data for many ions, including the iron L-shell ions from Fe$^{+16}$ to Fe$^{+23}$ and all of the hydrogen- and helium-like sequences. We also describe some of the effects that these changes have on calculated emission and diagnostic line ratios, such as changes in the temperature implied by the He-like G-ratios of up to a factor of 2.

  6. Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules

    OpenAIRE

    Ren, Pengyu; Wu, Chuanjie; Ponder, Jay W.

    2011-01-01

    An empirical potential based on permanent atomic multipoles and atomic induced dipoles is reported for alkanes, alcohols, amines, sulfides, aldehydes, carboxylic acids, amides, aromatics and other small organic molecules. Permanent atomic multipole moments through quadrupole moments have been derived from gas phase ab initio molecular orbital calculations. The van der Waals parameters are obtained by fitting to gas phase homodimer QM energies and structures, as well as experimental densities ...

  7. X-ray emission simulation from hollow atoms produced by high intensity laser irradiation

    International Nuclear Information System (INIS)

    We theoretically study the x-ray emission from hollow atoms produced by collisions of multiply charged ions accelerated by a short pulse laser with a solid or foil. By using the multistep-capture-and-loss (MSCL) model a high conversion efficiency to x-rays in an ultrafast atomic process is obtained. It is also proposed to apply this x-ray emission process to the x-ray source. For a few keV x-rays this x-ray source has a clear advantage. The number of x-ray photons increases as the laser energy becomes larger. For a laser energy of 10 J, the number of x-ray photons of 3x1011 is estimated. (author)

  8. A Comprehensive X-Ray Absorption Model for Atomic Oxygen

    Science.gov (United States)

    Gorczyca, T. W.; Bautista, M. A.; Hasoglu, M. F.; Garcia, J.; Gatuzz, E.; Kaastra, J. S.; Kallman, T. R.; Manson, S. T.; Mendoza, C.; Raassen, A. J. J.; de Vries, C. P.; Zatsarinny, O.

    2013-01-01

    An analytical formula is developed to accurately represent the photoabsorption cross section of atomic Oxygen for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further, minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double-photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory-measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

  9. Tabletop Ultrabright Kiloelectronvolt X-Ray Sources from Xe and Kr Hollow Atom States

    Science.gov (United States)

    Sankar, Poopalasingam

    Albert Einstein, the father of relativity, once said, "Look deep into nature, and then you will understand everything better". Today available higher resolution tabletop tool to look deep into matters and living thing is an x-ray source. Although the available tabletop x-rays sources of the 20th century, such as the ones used for medical or dental x-rays are tremendously useful for medical diagnostics and industry, a major disadvantage is that they have low quality skillful brightness, which limits its resolution and accuracy. In the other hand, x-ray free-electrons laser (XFEL) and synchrotron radiation sources provided extreme bright x-rays. However, number of applications of XFEL and synchrotron such as medical and industrials, has been hampered by their size, complexity, and cost. This has set a goal of demonstrating x-ray source with enough brightness for potential applications in an often-called tabletop compact x-ray source that could be operated in university laboratory or hospitals. We have developed two tabletop ultrabright keV x-ray sources, one from a Xe hollow-atom states and the other one from Kr hollow-atom stares with a unique characteristic that makes them complementary to currently-available extreme-light sources; XFEL, and synchrotron x-ray source. Upgraded tabletop ultra-fast KrF* pump-laser interacts with target rare-gas clusters and produces hollow-atom states, which later coherently collapse to the empty inner-shell and thereby generate keV x-ray radiation. The KrF* pump-laser beam is self-focused and forms a self-channel to guide the generated x-ray radiation in the direction of the pump-laser beam to produce directed x-ray beam. Xe (M) x-ray source operates at 1.2-1.6 nm wavelength while the Kr(L) x-ray source operates in 600-800 pm wavelength. System is mounted upon 3 optical-tables (5´x12´) with two KrF amplifiers at a repetition rate of 0.1 Hz. A lower bound for brightness value for both Xe and Kr x-ray sources is 1026 photons s-1mm-2

  10. Experiments on hadronic-atom x-ray intensities of hydrides and deuterides

    Energy Technology Data Exchange (ETDEWEB)

    Wiegand, C.E.; Lum, G.K.; Godfrey, G.L.

    1977-04-01

    Kaonic-atom x-ray intensities of elements Z = 3, 6, 8, 11, and 20 were significantly reduced when the elements were in hydride form. The ratios I (ZH/sub m/)/I (Z) have a noticeable Z dependence. Deuterides of C and O showed slightly less x-ray emission than their hydride counterparts.

  11. X-ray emission from charge exchange of highly-charged ions in atoms and molecules

    Science.gov (United States)

    Greenwood, J. B.; Williams, I. D.; Smith, S. J.; Chutjian, A.

    2000-01-01

    Charge exchange followed by radiative stabilization are the main processes responsible for the recent observations of X-ray emission from comets in their approach to the Sun. A new apparatus was constructed to measure, in collisions of HCIs with atoms and molecules, (a) absolute cross sections for single and multiple charge exchange, and (b) normalized X-ray emission cross sections.

  12. Selected K and L X-Ray mass attenuation coefficients for low atomic number materials

    International Nuclear Information System (INIS)

    X-ray attenuation coefficients for low atomic mumbers elements were obtained for characteristic K and L X-ray of a number of selected elements using the fitting of a third degree polynomial to the values tabulated by Storm and Israel

  13. Average-Atom Model for X-ray Scattering from Warm Dense Matter

    CERN Document Server

    Johnson, W R; Cheng, K T

    2012-01-01

    A scheme for analyzing Thomson scattering of x-rays by warm dense matter, based on the average-atom model, is developed. Emphasis is given to x-ray scattering by bound electrons. Contributions to the scattered x-ray spectrum from elastic scattering by electrons moving with the ions and from inelastic scattering by free and bound electrons are evaluated using parameters (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) taken from the average-atom model. The resulting scheme provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, titanium, and tin plasmas. At high momentum transfer, contributions from inelastic scattering by bound electrons are dominant features of the scattered x-ray spectrum for aluminum, titanium, and tin.

  14. Diagnosing the accretion flow in ultraluminous X-ray sources using soft X-ray atomic features

    CERN Document Server

    Middleton, Matthew J; Fabian, Andrew; Roberts, Timothy P; Heil, Lucy; Pinto, Ciro; Anderson, Gemma; Sutton, Andrew

    2015-01-01

    The lack of unambiguous detections of atomic features in the X-ray spectra of ultraluminous X-ray sources (ULXs) has proven a hindrance in diagnosing the nature of the accretion flow. The possible association of spectral residuals at soft energies with atomic features seen in absorption and/or emission and potentially broadened by velocity dispersion could therefore hold the key to understanding much about these enigmatic sources. Here we show for the first time that such residuals are seen in several sources and appear extremely similar in shape, implying a common origin. Via simple arguments we assert that emission from extreme colliding winds, absorption in a shell of material associated with the ULX nebula and thermal plasma emission associated with star formation are all highly unlikely to provide an origin. Whilst CCD spectra lack the energy resolution necessary to directly determine the nature of the features (i.e. formed of a complex of narrow lines or intrinsically broad), studying the evolution of t...

  15. Nonrelativistic atom-photon interaction beyond the multipole approximation

    NARCIS (Netherlands)

    Boers, D.J.; Wijers, C.M.J.

    2003-01-01

    We investigate the interaction between the hydrogen atomic orbitals and the quantized modes of the electromagnetic field within the domain of nonrelativistic quantum electrodynamics in the Coulomb gauge. Contrary to the conventional dipole approximation and higher-order multipole approximations, whi

  16. Ultra fast atomic process in X-ray emission by inner-shell ionization

    Energy Technology Data Exchange (ETDEWEB)

    Moribayashi, Kengo; Sasaki, Akira [Japan Atomic Energy Research Inst., Neyagawa, Osaka (Japan). Kansai Research Establishment; Tajima, T.

    1998-03-01

    An ultra-fast atomic process together with X-ray emission by inner-shell ionization using high intensity (10{sup 18} W/cm{sup 2}) short pulse (20fs) X-ray is studied. A new class of experiment is proposed and a useful pumping source is suggested. In this method, it is found that the gain value of X-ray laser amounts to larger than 1000(1/cm) with use of the density of 10{sup 22}/cm{sup 3} of carbon atom. Electron impact ionization effect and initial density effect as well as intensity of pumping source effect are also discussed. (author)

  17. Ionization of hydrogen atom by X-ray absorption in the presence of optical laser field

    International Nuclear Information System (INIS)

    The absorption of X-rays in hydrogen atom considering the irradiation of the target by an intense optical laser of frequency ω is studied. It is found that the terms of the modified scattering amplitude has different dependence on polarization vectors of X-ray fields and laser fields. There is resonance in the differential cross section for absorption at different frequencies when ω (the laser frequency) becomes nearly equal to atomic transition frequency. (author). 21 refs., 2 figs

  18. Precision spectroscopy of light kaonic atom X-rays in the SIDDHARTA experiment

    International Nuclear Information System (INIS)

    The SIDDHARTA experiment successfully measured kaonic atom X-rays using four gas targets of hydrogen, deuterium, helium-3, and helium-4 at the DAΦNH electron-positron collider. Excellent performance of the SDDs under beam conditions was found in terms of X-ray energy resolution and a good background suppression capability. The preliminary results of the strong-interaction shifts of the kaonic atoms with Z = 1 and 2 are given.

  19. Impact of hollow-atom formation on coherent x-ray scattering at high intensity

    International Nuclear Information System (INIS)

    X-ray free-electron lasers (FELs) are promising tools for structural determination of macromolecules via coherent x-ray scattering. During ultrashort and ultraintense x-ray pulses with an atomic-scale wavelength, samples are subject to radiation damage and possibly become highly ionized, which may influence the quality of x-ray scattering patterns. We develop a toolkit to treat detailed ionization, relaxation, and scattering dynamics for an atom within a consistent theoretical framework. The coherent x-ray scattering problem including radiation damage is investigated as a function of x-ray FEL parameters such as pulse length, fluence, and photon energy. We find that the x-ray scattering intensity saturates at a fluence of ∼107 photon/A2 per pulse but can be maximized by using a pulse duration much shorter than the time scales involved in the relaxation of the inner-shell vacancy states created. Under these conditions, both inner-shell electrons in a carbon atom are removed, and the resulting hollow atom gives rise to a scattering pattern with little loss of quality for a spatial resolution >1 A. Our numerical results predict that in order to scatter from a carbon atom 0.1 photon per x-ray pulse, within a spatial resolution of 1.7 A, a fluence of 1x107 photons/A2 per pulse is required at a pulse length of 1 fs and a photon energy of 12 keV. By using a pulse length of a few hundred attoseconds, one can suppress even secondary ionization processes in extended systems. The present results suggest that high-brightness attosecond x-ray FELs would be ideal for single-shot imaging of individual macromolecules.

  20. Kaon mass by critical absorption of kaonic atom x rays

    International Nuclear Information System (INIS)

    The energy of the kaonic 6h → 5g transition has been determined using the calculated μ/rho curve. Because the detectors used could not resolve the noncircular transitions, the predictions from a calculated cascade program were used. According to the cascade results for potassium, the number of noncircular x-rays was about 10% of all the transitions between n = 6 to n = 5. Based on the available information, the mass of the kaon was measured to be 493.576/sub -0.069//sup +0.044/ MeV

  1. Multipole moments for embedding potentials: Exploring different atomic allocation algorithms.

    Science.gov (United States)

    S Nørby, Morten; Magnus Haugaard Olsen, Jógvan; Kongsted, Jacob; Aagard Jensen, Hans Jørgen

    2016-07-01

    Polarizable quantum mechanical (QM)/molecular mechanics (MM)-embedding methods are currently among the most promising methods for computationally feasible, yet reliable, production calculations of localized excitations and molecular response properties of large molecular complexes, such as proteins and RNA/DNA, and of molecules in solution. Our aim is to develop a computational methodology for distributed multipole moments and their associated multipole polarizabilities which is accurate, computationally efficient, and with smooth convergence with respect to multipole order. As the first step toward this goal, we herein investigate different ways of obtaining distributed atom-centered multipole moments that are used in the construction of the electrostatic part of the embedding potential. Our objective is methods that not only are accurate and computationally efficient, but which can be consistently extended with site polarizabilities including internal charge transfer terms. We present a new way of dealing with well-known problems in relation to the use of basis sets with diffuse functions in conventional atomic allocation algorithms, avoiding numerical integration schemes. Using this approach, we show that the classical embedding potential can be systematically improved, also when using basis sets with diffuse functions, and that very accurate embedding potentials suitable for QM/MM embedding calculations can be acquired. © 2016 Wiley Periodicals, Inc. PMID:27187063

  2. New Directions in X-Ray Light Sources or Fiat Lux: what's under the dome and watching atoms with x-rays (LBNL Summer Lecture Series)

    International Nuclear Information System (INIS)

    Summer Lecture Series 2008: Molecular movies of chemical reactions and material phase transformations need a strobe of x-rays, the penetrating light that reveals how atoms and molecules assemble in chemical and biological systems and complex materials. Roger Falcone, Director of the Advanced Light Source, will discuss a new generation of x-ray sources that will enable a new science of atomic dynamics on ultrafast timescales.

  3. 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.

  4. Ultrafast, laser-based, x-ray science: the dawn of atomic-scale cinematography

    International Nuclear Information System (INIS)

    The characteristics of ultrafast chirped pulse amplification systems are reviewed. Application of ultrafast chirped pulse amplification to the generation of femtosecond, incoherent, 8-keV line radiation is outlined and the use of femtosecond laser-based, x-rays for novel time-resolved diffraction studies of crystalline dynamics with sub-picosecond temporal resolution and sub-picometer spatial resolution is reviewed in detail. Possible extensions of laser-based, x-ray technology and evaluation of alternative x-ray approaches for time-resolved studies of the atomic scale dynamics are given. (author)

  5. Ultrafast, laser-based, x-ray science: the dawn of atomic-scale cinematography

    Energy Technology Data Exchange (ETDEWEB)

    Barty, C.P.J. [University of California, Department of Applied Mechanics and Engineering Science, Urey Hall, Mali Code 0339, San Diego, La Jolla, CA (United States)

    2000-03-01

    The characteristics of ultrafast chirped pulse amplification systems are reviewed. Application of ultrafast chirped pulse amplification to the generation of femtosecond, incoherent, 8-keV line radiation is outlined and the use of femtosecond laser-based, x-rays for novel time-resolved diffraction studies of crystalline dynamics with sub-picosecond temporal resolution and sub-picometer spatial resolution is reviewed in detail. Possible extensions of laser-based, x-ray technology and evaluation of alternative x-ray approaches for time-resolved studies of the atomic scale dynamics are given. (author)

  6. Kaonic mass by critical absorption of kaonic-atom x rays

    Energy Technology Data Exchange (ETDEWEB)

    Lum, G.K.; Wiegand, C.E.; Kessler, E.G. Jr.; Deslattes, R.D.; Jacobs, L.; Schwitz, W.; Seki, R.

    1981-06-01

    The energy of x rays from the transition 6h..-->..5g in kaonic atoms of potassium falls on the K absorption edge of erbium. Measurement of the kaonic-x-ray attenuation in a precisely calibrated set of Er foils yields the x-ray energy 57 458.8 +- 6.3 eV. The kaon mass is related to energy through the Klein-Gordon equation plus corrections for radiative effects, electron screening, and other effects. The negative-kaon mass was found to be 493.640 +- 0.054 MeV/c/sup 2/ in agreement with the currently accepted value 493.669 +- 0.018 MeV/c/sup 2/ which was determined from x rays emitted by high-Z atoms where the corrections were larger than for Z = 19.

  7. X-ray transition yields of low-Z kaonic atoms produced in Kapton

    Energy Technology Data Exchange (ETDEWEB)

    Bazzi, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Beer, G. [Department of Physics and Astronomy, University of Victoria, P.O. Box 1700 STN CNC, Victoria, BC V8W 2Y2 (Canada); Berucci, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Bombelli, L. [Politecnico di Milano, Dipartimento di Elettronica e Informazione, Piazza L. da Vinci 32, I-20133 Milano (Italy); Bragadireanu, A.M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); IFIN-HH, Institutul National pentru Fizica si Inginerie Nucleara Horia Hulubei, Reactorului 30, Magurele (Romania); Cargnelli, M. [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Curceanu, C.; D' Uffizi, A. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Fiorini, C. [Politecnico di Milano, Dipartimento di Elettronica e Informazione, Piazza L. da Vinci 32, I-20133 Milano (Italy); Ghio, F. [INFN Sezione di Roma I and Instituto Superiore di Sanita, I-00161 Roma (Italy); Guaraldo, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Hayano, R.S. [University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo (Japan); Iliescu, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Ishiwatari, T., E-mail: tomoichi.ishiwatari@assoc.oeaw.ac.at [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Iwasaki, M. [RIKEN, Institute of Physical and Chemical Research, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); and others

    2013-10-23

    The X-ray transition yields of kaonic atoms produced in Kapton polyimide (C{sub 22}H{sub 10}N{sub 2}O{sub 5}) were measured for the first time in the SIDDHARTA experiment. X-ray yields of the kaonic atoms with low atomic numbers (Z=6,7, and 8) and transitions with high principal quantum numbers (n=5–8) were determined. The relative yields of the successive transitions in the same atoms and the yield ratios of carbon-to-nitrogen (C:N) and carbon-to-oxygen (C:O) for the same transitions were also determined. These X-ray yields provide important information for understanding the capture ratios and cascade mechanisms of kaonic atoms produced in a compound material, such as Kapton.

  8. X-ray transition yields of low-Z kaonic atoms produced in Kapton

    Science.gov (United States)

    Bazzi, M.; Beer, G.; Berucci, C.; Bombelli, L.; Bragadireanu, A. M.; Cargnelli, M.; Curceanu, C.; d'Uffizi, A.; Fiorini, C.; Ghio, F.; Guaraldo, C.; Hayano, R. S.; Iliescu, M.; Ishiwatari, T.; Iwasaki, M.; Kienle, P.; Levi Sandri, P.; Longoni, A.; Marton, J.; Okada, S.; Pietreanu, D.; Ponta, T.; Quaglia, R.; Romero Vidal, A.; Sbardella, E.; Scordo, A.; Shi, H.; Sirghi, D. L.; Sirghi, F.; Tatsuno, H.; Tudorache, A.; Tudorache, V.; Vazquez Doce, O.; Widmann, E.; Zmeskal, J.

    2013-10-01

    The X-ray transition yields of kaonic atoms produced in Kapton polyimide (C22H10N2O5) were measured for the first time in the SIDDHARTA experiment. X-ray yields of the kaonic atoms with low atomic numbers (Z=6,7, and 8) and transitions with high principal quantum numbers (n=5-8) were determined. The relative yields of the successive transitions in the same atoms and the yield ratios of carbon-to-nitrogen (C:N) and carbon-to-oxygen (C:O) for the same transitions were also determined. These X-ray yields provide important information for understanding the capture ratios and cascade mechanisms of kaonic atoms produced in a compound material, such as Kapton.

  9. X-ray transition yields of low-Z kaonic atoms produced in Kapton

    International Nuclear Information System (INIS)

    The X-ray transition yields of kaonic atoms produced in Kapton polyimide (C22H10N2O5) were measured for the first time in the SIDDHARTA experiment. X-ray yields of the kaonic atoms with low atomic numbers (Z=6,7, and 8) and transitions with high principal quantum numbers (n=5–8) were determined. The relative yields of the successive transitions in the same atoms and the yield ratios of carbon-to-nitrogen (C:N) and carbon-to-oxygen (C:O) for the same transitions were also determined. These X-ray yields provide important information for understanding the capture ratios and cascade mechanisms of kaonic atoms produced in a compound material, such as Kapton

  10. Testing EUV/X-ray Atomic Data for the Solar Dynamics Observatory

    OpenAIRE

    Testa, Paola; Drake, Jeremy J.; Landi, Enrico

    2011-01-01

    The Atmospheric Imaging Assembly (AIA) and the Exteme-ultraviolet Variability Experiment (EVE) onboard the Solar Dynamics Observatory include spectral windows in the X-ray/EUV band. Accuracy and completeness of the atomic data in this wavelength range is essential for interpretation of the spectrum and irradiance of the solar corona, and of SDO observations made with the AIA and EVE instruments. Here we test the X-ray/EUV data in the CHIANTI database to assess their completeness and accuracy ...

  11. X-ray transition yields of low-Z kaonic atoms produced in Kapton

    CERN Document Server

    Bazzi, M; Berucci, C; Bombelli, L; Bragadireanu, A M; Cargnelli, M; Curceanu, C; d'Uffizi, A; Fiorini, C; Ghio, F; Guaraldo, C; Hayano, R S; Iliescu, M; Ishiwatari, T; Iwasaki, M; Kienle, P; Sandri, P Levi; Longoni, A; Marton, J; Okada, S; Pietreanu, D; Ponta, T; Quaglia, R; Vidal, A Romero; Sbardella, E; Scordo, A; Shi, H; Sirghi, D L; Sirghi, F; Tatsuno, H; Tudorache, A; Tudorache, V; Doce, O Vazquez; Widmann, E; Zmeskal, J

    2013-01-01

    The X-ray transition yields of kaonic atoms produced in Kapton polyimide (C22H10N2O5) were measured for the first time in the SIDDHARTA experiment. X-ray yields of the kaonic atoms with low atomic numbers (Z = 6, 7, and 8) and transitions with high principal quantum numbers (n = 5-8) were determined. The relative yield ratios of the successive transitions and those of carbon-to-nitrogen (C:N) and carbon-to-oxygen (C:O) were also determined. These X-ray yields provide important information for understanding the capture ratios and cascade mechanisms of kaonic atoms produced in a compound material, such as Kapton.

  12. Atomic physics with hard X-rays from high brilliance synchrotron light sources

    Energy Technology Data Exchange (ETDEWEB)

    Southworth, S.; Gemmell, D.

    1996-08-01

    A century after the discovery of x rays, the experimental capability for studying atomic structure and dynamics with hard, bright synchrotron radiation is increasing remarkably. Tempting opportunities arise for experiments on many-body effects, aspects of fundamental photon-atom interaction processes, and relativistic and quantum-electrodynamic phenomena. Some of these possibilities are surveyed in general terms.

  13. Atomic physics with hard X-rays from high brilliance synchrotron light sources

    International Nuclear Information System (INIS)

    A century after the discovery of x rays, the experimental capability for studying atomic structure and dynamics with hard, bright synchrotron radiation is increasing remarkably. Tempting opportunities arise for experiments on many-body effects, aspects of fundamental photon-atom interaction processes, and relativistic and quantum-electrodynamic phenomena. Some of these possibilities are surveyed in general terms

  14. Characterization of single-crystal sapphire substrates by X-ray methods and atomic force microscopy

    International Nuclear Information System (INIS)

    The possibility of characterizing a number of practically important parameters of sapphire substrates by X-ray methods is substantiated. These parameters include wafer bending, traces of an incompletely removed damaged layer that formed as a result of mechanical treatment (scratches and marks), surface roughness, damaged layer thickness, and the specific features of the substrate real structure. The features of the real structure of single-crystal sapphire substrates were investigated by nondestructive methods of double-crystal X-ray diffraction and plane-wave X-ray topography. The surface relief of the substrates was investigated by atomic force microscopy and X-ray scattering. The use of supplementing analytical methods yields the most complete information about the structural inhomogeneities and state of crystal surface, which is extremely important for optimizing the technology of substrate preparation for epitaxy.

  15. Polarizable Atomic Multipole Solutes in a Generalized Kirkwood Continuum.

    Science.gov (United States)

    Schnieders, Michael J; Ponder, Jay W

    2007-11-01

    The generalized Born (GB) model of continuum electrostatics is an analytic approximation to the Poisson equation useful for predicting the electrostatic component of the solvation free energy for solutes ranging in size from small organic molecules to large macromolecular complexes. This work presents a new continuum electrostatics model based on Kirkwood's analytic result for the electrostatic component of the solvation free energy for a solute with arbitrary charge distribution. Unlike GB, which is limited to monopoles, our generalized Kirkwood (GK) model can treat solute electrostatics represented by any combination of permanent and induced atomic multipole moments of arbitrary degree. Here we apply the GK model to the newly developed Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field, which includes permanent atomic multipoles through the quadrupole and treats polarization via induced dipoles. A derivation of the GK gradient is presented, which enables energy minimization or molecular dynamics of an AMOEBA solute within a GK continuum. For a series of 55 proteins, GK electrostatic solvation free energies are compared to the Polarizable Multipole Poisson-Boltzmann (PMPB) model and yield a mean unsigned relative difference of 0.9%. Additionally, the reaction field of GK compares well to that of the PMPB model, as shown by a mean unsigned relative difference of 2.7% in predicting the total solvated dipole moment for each protein in this test set. The CPU time needed for GK relative to vacuum AMOEBA calculations is approximately a factor of 3, making it suitable for applications that require significant sampling of configuration space. PMID:26636202

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

    CERN Document Server

    Li, Zheng; Chapman, Henry; Shih, Yanhua

    2015-01-01

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

  17. Experimental study of conversion from atomic high-order harmonics to x-ray emissions

    Institute of Scientific and Technical Information of China (English)

    王骐; 陈建新; 夏元钦; 陈德应

    2003-01-01

    There are two physical phenomena in a strong laser intensity. One is the high-order harmonic emission; the other is x-ray emission from optical-field ionized plasmas. The experiment of conversion from high-order harmonics to x-ray emissions was given with a 105fs Ti:sapphire laser by adjusting laser intensities. The ingredient in plasma was investigated by the numerical simulations. Our experimental results suggested that the free electrons have detrimental effects on harmonic generation but are favourable for x-ray emission from optical-field ionized plasmas. If we want to obtain more intense harmonic signals as a coherent light source in the soft x-ray region, we must avoid the production of free electrons in plasmas. At the same time, if we want to observe x-rays for the development of high-repetition-rate table-top soft x-ray lasers, we should strip all atoms in the plasmas to a necessary ionized stage by the optical-fieldionization in the field of a high-intensity laser pulse.

  18. Chapter Four - Atomic Data Needs for Understanding X-ray Astrophysical Plasmas

    Science.gov (United States)

    Smith, Randall K.; Brickhouse, Nancy S.

    2014-08-01

    Astrophysical X-ray spectroscopy promises huge potential scientific returns. The soft X-ray bandpass, 0.1-10 keV, contains transitions from the K-, L-, and M-shell of every cosmically abundant element and ion except H and He. With only moderate (R ~ 1000) resolution, these transitions can be separated into gas, molecular, and solid state phases. Line and continuum measurements at lower resolutions (R ~ 100) can determine the electron temperature, estimate the electron density or radiation field and reveal if the plasma is in equilibrium. Achieving these returns, however, requires accurate data for the underlying rates and transition wavelengths for ions, molecules and solid state materials. Uncertainties in the oscillator strengths of Fe XVII transitions already limit the conclusions that can be made about the non-thermal turbulence in two galaxy groups (de Plaa et al., 2012), while the paucity of accurate wavelengths and collisional rates in the 50-150 Å bandpass have affected analysis of data from the Chandra X-ray Observatory's Low-Energy Transmission Grating (LETG) (e.g., and ). We describe the atomic physics required for the X-ray diagnostics that are in use with existing X-ray missions and that will be required for future X-ray missions.

  19. Direct observation of ultrafast atomic motion using time-resolved X-ray diffraction

    International Nuclear Information System (INIS)

    This thesis is dedicated to the study of the atomic motion in laser irradiated solids on a picosecond to subpicosecond time-scale using the time-resolved X-ray diffraction technique. In the second chapter, the laser system, the laser-plasma based X-ray source and the experimental setup for optical pump / X-ray probe measurements were presented. Chapter 3 is devoted to the characterization and comparison of different types of X-ray optics. Chapter 4 presented the time-resolved X-ray diffraction experiments performed for this thesis. The first two sections of this chapter discuss the measurements of initially unexpected strain-induced transient changes of the integrated reflectivity of the X-ray probe beam. The elimination of the strain-induced transient changes of the integrated reflectivity represented an important prerequisite to perform the study of lattice heating in Germanium after femtosecond optical excitation by measuring the transient Debye-Waller effect. The third section describes the investigations of acoustic waves upon ultrafast optical excitation and discusses the two different pressure contributions driving them: the thermal and the electronic ones. (orig.)

  20. Direct observation of ultrafast atomic motion using time-resolved X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Shymanovich, U.

    2007-11-13

    This thesis is dedicated to the study of the atomic motion in laser irradiated solids on a picosecond to subpicosecond time-scale using the time-resolved X-ray diffraction technique. In the second chapter, the laser system, the laser-plasma based X-ray source and the experimental setup for optical pump / X-ray probe measurements were presented. Chapter 3 is devoted to the characterization and comparison of different types of X-ray optics. Chapter 4 presented the time-resolved X-ray diffraction experiments performed for this thesis. The first two sections of this chapter discuss the measurements of initially unexpected strain-induced transient changes of the integrated reflectivity of the X-ray probe beam. The elimination of the strain-induced transient changes of the integrated reflectivity represented an important prerequisite to perform the study of lattice heating in Germanium after femtosecond optical excitation by measuring the transient Debye-Waller effect. The third section describes the investigations of acoustic waves upon ultrafast optical excitation and discusses the two different pressure contributions driving them: the thermal and the electronic ones. (orig.)

  1. Performance of silicon-drift detectors in kaonic atom X-ray measurements

    Energy Technology Data Exchange (ETDEWEB)

    Bazzi, M. [INFN, Laboratori Nazionali di Frascati, Frascati (Roma) (Italy); Beer, G. [Department of Physics and Astronomy, University of Victoria, Victoria, BC (Canada); Bombelli, L. [Politechno di Milano, Sez. di Elettronica, Milano (Italy); Bragadireanu, A.M. [INFN, Laboratori Nazionali di Frascati, Frascati (Roma) (Italy); IFIN-HH, Magurele, Bucharest (Romania); Cargnelli, M. [Stefan-Meyer-Institut fuer subatomare Physik, Boltzmanngasse 3, Vienna (Austria); Corradi, G.; Curceanu, C.; D' Uffizi, A. [INFN, Laboratori Nazionali di Frascati, Frascati (Roma) (Italy); Fiorini, C.; Frizzi, T. [Politechno di Milano, Sez. di Elettronica, Milano (Italy); Ghio, F.; Girolami, B. [INFN Sez. di Roma I and Inst. Superiore di Sanita, Roma (Italy); Guaraldo, C. [INFN, Laboratori Nazionali di Frascati, Frascati (Roma) (Italy); Hayano, R.S. [University of Tokyo, Tokyo (Japan); Iliescu, M. [INFN, Laboratori Nazionali di Frascati, Frascati (Roma) (Italy); IFIN-HH, Magurele, Bucharest (Romania); Ishiwatari, T., E-mail: tomoichi.ishiwatari@assoc.oeaw.ac.a [Stefan-Meyer-Institut fuer subatomare Physik, Boltzmanngasse 3, Vienna (Austria); Iwasaki, M. [RIKEN, The Institute of Physical and Chemical Research, Saitama (Japan); Kienle, P. [Stefan-Meyer-Institut fuer subatomare Physik, Boltzmanngasse 3, Vienna (Austria); Tech. Univ. Muenchen, Physik Dep., Garching (Germany); Levi Sandri, P. [INFN, Laboratori Nazionali di Frascati, Frascati (Roma) (Italy); Longoni, A. [Politechno di Milano, Sez. di Elettronica, Milano (Italy)

    2011-02-01

    Large-area silicon drift detectors (SDDs) were used for the first time in the background condition of a collider for precision spectroscopy of the kaonic atom X-rays in the SIDDHARTA experiment for the study of the strong interaction in a low-energy regime. The measurements were performed at the DA{Phi}NE electron-positron collider (LNF, Italy), using gas targets of hydrogen, deuterium, helium-3, and helium-4. A test measurement using the kaonic {sup 4}He X-rays showed an excellent performance of the SDD devices under the beam conditions, and a good background suppression capability using the time correlation between the kaonic atom X-rays and the back-to-back correlated K{sup +}K{sup -} pairs produced by {phi} decays.

  2. Performance of silicon-drift detectors in kaonic atom X-ray measurements

    International Nuclear Information System (INIS)

    Large-area silicon drift detectors (SDDs) were used for the first time in the background condition of a collider for precision spectroscopy of the kaonic atom X-rays in the SIDDHARTA experiment for the study of the strong interaction in a low-energy regime. The measurements were performed at the DAΦNE electron-positron collider (LNF, Italy), using gas targets of hydrogen, deuterium, helium-3, and helium-4. A test measurement using the kaonic 4He X-rays showed an excellent performance of the SDD devices under the beam conditions, and a good background suppression capability using the time correlation between the kaonic atom X-rays and the back-to-back correlated K+K- pairs produced by φ decays.

  3. Quantitative effective atomic number imaging using simultaneous x-ray absorption and phase shift measurement

    International Nuclear Information System (INIS)

    A scanning type x-ray imaging system which measures the absorption and differential phase shift in a material quantitatively and simultaneously has been developed. The absorption and differential phase are used to obtain the effective atomic number of organic material samples which closely reflects their chemical composition. An effective atomic number map of polymer fibers has been obtained. The experimentally obtained effective atomic numbers of these polymers agree well with the corresponding calculated values.

  4. The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins

    OpenAIRE

    Shi, Yue; Xia, Zhen; Zhang, Jiajing; Best, Robert; Wu, Chuanjie; Ponder, Jay W.; Ren, Pengyu

    2013-01-01

    Development of the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Simulation) force field for proteins is presented. The current version (AMOEBA-2013) utilizes permanent electrostatic multipole moments through the quadrupole at each atom, and explicitly treats polarization effects in various chemical and physical environments. The atomic multipole electrostatic parameters for each amino acid residue type are derived from high-level gas phase quantum mechanical calculations via...

  5. Medical x-ray exposure doses as contaminants of atomic bomb doses.

    Science.gov (United States)

    Yamamoto, O; Antoku, S; Russell, W J; Fujita, S; Sawada, S

    1988-03-01

    Since 1967 at the times of their biennial ABCC/RERF radiological examinations, all Adult Health Study (AHS) subjects have been interviewed to determine the exposures to medical x-rays they experienced in institutions other than RERF in order to estimate the numbers of examinations and corresponding doses which they received. These data have been stored on computer tapes together with the doses these subjects received during their radiological examinations in the ABCC/RERF Department of Radiology. Thus, their medical x-ray doses are available along with their atomic bomb doses (tentative 1965 doses revised, T65DR) for assessment of the role of ionizing radiation in the development of diseases. The medical x-ray doses incurred at RERF were assessed by means of phantom dosimetry. Those at other institutions were determined using phantom dosimetry data and results of surveys for trends in radiological examinations in Hiroshima and Nagasaki. By the end of 1982, the average medical x-ray doses to the active bone marrow were 12.04 mGy for A-bomb exposed groups and 8.92 mGy for control groups (not-in-cities); to the male gonads, 2.26 mGy and 1.89 mGy, respectively; and to the female gonads, 17.45 mGy and 12.58 mGy, respectively. Results for Hiroshima and Nagasaki were similar. The main impact of medical x-ray doses was in the lowest T65DR group. Medical x-ray active bone marrow doses ranged from 0.05-500% (mean, 35%) of A-bomb doses in the 10-99 mGy T65DR group. In the 100-999 mGy T65DR group, medical x-ray active bone marrow doses ranged from 0.005-50% (mean, 5%) of their T65DR. In the greater than 1,000-mGy T65DR group, medical x-ray exposures were proportionally less. Female active bone marrow and gonad doses were similar in magnitude to the male active bone marrow doses. Medical x-ray exposures produced smaller doses to the gonads of males than to those of the females. The use of medical x-rays is steadily increasing. Careful consideration of doses from medical sources

  6. Influence of angle's ranges for recording an X-ray fluorescence hologram on reconstructed atomic images

    Institute of Scientific and Technical Information of China (English)

    XIE Hong-Lan; CHEN Jian-Wen; GAO Hong-Yi; ZHU Hua-Feng; LI Ru-Xin; XU Zhi-Zhan

    2004-01-01

    X-ray fluorescence holography (XFH) is a novel method for three-dimensional (3D) imaging of atomic structure. Theoretically, in an XFH experiment, one has to measure the fluorescence energy on a spherical surface to get well-resolved 3D images of atoms. But in practice, the experimental system arrangement does not allow the measurement of the fluorescent intensity oscillations in the full sphere. The holographic information losses because of the limited sampling range (less than 4π) will directly result in defective reconstructed atomic images. In this work, the atomic image of a Fe single crystal (001) was reconstructed by numerically simulating X-ray fluorescence holograms of the crystal at different recording angle's ranges and step lengths. Influences of the ranges of azimuth angles and polar angles and the step length of polar angles on the reconstructed atomic images were discussed.

  7. Atomic holography with electrons and x-rays: Theoretical and experimental studies

    International Nuclear Information System (INIS)

    Gabor first proposed holography in 1948 as a means to experimentally record the amplitude and phase of scattered wavefronts, relative to a direct unscattered wave, and to use such a open-quotes hologramclose quotes to directly image atomic structure. But imaging at atomic resolution has not yet been possible in the way he proposed. Much more recently, Szoeke in 1986 noted that photoexcited atoms can emit photoelectron of fluorescent x-ray wavefronts that are scattered by neighboring atoms, thus yielding the direct and scattered wavefronts as detected in the far field that can then be interpreted as holographic in nature. By now, several algorithms for directly reconstructing three-dimensional atomic images from electron holograms have been proposed (e.g. by Barton) and successfully tested against experiment and theory. Very recently, Tegze and Faigel, and Grog et al. have recorded experimental x-ray fluorescence holograms, and these are found to yield atomic images that are more free of the kinds of aberrations caused by the non-ideal emission or scattering of electrons. The basic principles of these holographic atomic imaging methods are reviewed, including illustrative applications of the reconstruction algorithms to both theoretical and experimental electron and x-ray holograms. The author also discusses the prospects and limitations of these newly emerging atomic structural probes

  8. Investigation of atomic correlations in amorphous substances in the event of x-ray diffraction

    International Nuclear Information System (INIS)

    The aim was to determine a procedure for the experimental investigation of atomic correlations in monatomic amorphous substances (exemplified in amorphic germanium) that occur in relation to X-ray diffractometry, based on the classic theory of spreading. The underlying theory and a description of the experimental procedures are presented. (AB)

  9. Electron and X-ray emission in collisions of multiply charged ions and atoms

    International Nuclear Information System (INIS)

    The author presents experimental results of electron and X-ray emission following slow collisions of multiply charged ions and atoms. The aim of the investigation was to study the mechanisms which are responsible for the emission. (G.T.H.)

  10. Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

    Science.gov (United States)

    Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

    2015-02-01

    Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed. PMID:25393218

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

    DEFF Research Database (Denmark)

    Stern, Stephan; Holmegaard, Lotte; Filsinger, Frank;

    2014-01-01

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

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

    CERN Document Server

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

    2014-01-01

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

  13. High-resolution kaonic-atom x-ray spectroscopy with transition-edge-sensor microcalorimeters

    CERN Document Server

    Okada, S; Doriese, W B; Fowler, J W; Irwin, K D; Ishimoto, S; Sato, M; Schmidt, D R; Swetz, D S; Tatsuno, H; Ullom, J N; Yamada, S

    2014-01-01

    We are preparing for an ultra-high resolution x-ray spectroscopy of kaonic atoms using an x-ray spectrometer based on an array of superconducting transition-edge-sensor microcalorimeters developed by NIST. The instrument has excellent energy resolutions of 2 - 3 eV (FWHM) at 6 keV and a large collecting area of about 20 mm^2. This will open new door to investigate kaon-nucleus strong interaction and provide new accurate charged-kaon mass value.

  14. High-Resolution Kaonic-Atom X-ray Spectroscopy with Transition-Edge-Sensor Microcalorimeters

    Science.gov (United States)

    Okada, S.; Bennett, D. A.; Doriese, W. B.; Fowler, J. W.; Irwin, K. D.; Ishimoto, S.; Sato, M.; Schmidt, D. R.; Swetz, D. S.; Tatsuno, H.; Ullom, J. N.; Yamada, S.

    2014-09-01

    We are preparing for an ultra-high resolution X-ray spectroscopy of kaonic atoms using an X-ray spectrometer based on an array of superconducting transition-edge-sensor microcalorimeters developed by NIST. The instrument has excellent energy resolutions of 2-3 eV (FWHM) at 6 keV and a large collecting area of about 20 mm. This will open new door to investigate kaon-nucleus strong interaction and provide new accurate charged-kaon mass value.

  15. Precision Spectroscopy of Kaonic Helium-3 Atoms X-rays at J-PARC

    Science.gov (United States)

    Iio, M.; Bhang, H.; Cargnelli, M.; Choi, Seonho; Curceanu, C.; Doce, O. V.; Enomoto, S.; Fujioka, H.; Fujiwara, Y.; Guaraldo, C.; Hashimoto, T.; Hayano, R. S.; Hiraiwa, T.; Ishimoto, S.; Ishiwatari, T.; Itahashi, K.; Iwasaki, M.; Kou, H.; Kienle, P.; Marton, J.; Matsuda, Y.; Noumi, H.; Ohnishi, H.; Okada, S.; Outa, H.; Sakuma, F.; Sato, M.; Sekimoto, M.; Shi, H.; Sirghi, D.; Sirghi, F.; Suzuki, T.; Tanida, K.; Tatsuno, H.; Tokuda, M.; Tomono, D.; Toyoda, A.; Tsukada, K.; Vidal, A. R.; Widmann, E.; Wunschek, B.; Yamazaki, T.; Zmeskal, J.

    2010-04-01

    We will measure the Balmer-series x-rays of kaonic-3He atoms using large-area high-resolution silicon drift x-rays detectors in order to provide the crucial information of K--nucleus strong interaction at the low energy limit. The strong interaction 2p level shift will be determined with a precision of a few eV. At the present status, the construction of all detectors is in progress. In February, 2009, the first tuning of K1.8BR beamline was performed by the secondary beam generated in J-PARC hadron facility. The data taking will be started soon.

  16. Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules.

    Science.gov (United States)

    Ren, Pengyu; Wu, Chuanjie; Ponder, Jay W

    2011-10-11

    An empirical potential based on permanent atomic multipoles and atomic induced dipoles is reported for alkanes, alcohols, amines, sulfides, aldehydes, carboxylic acids, amides, aromatics and other small organic molecules. Permanent atomic multipole moments through quadrupole moments have been derived from gas phase ab initio molecular orbital calculations. The van der Waals parameters are obtained by fitting to gas phase homodimer QM energies and structures, as well as experimental densities and heats of vaporization of neat liquids. As a validation, the hydrogen bonding energies and structures of gas phase heterodimers with water are evaluated using the resulting potential. For 32 homo- and heterodimers, the association energy agrees with ab initio results to within 0.4 kcal/mol. The RMS deviation of hydrogen bond distance from QM optimized geometry is less than 0.06 Å. In addition, liquid self-diffusion and static dielectric constants computed from molecular dynamics simulation are consistent with experimental values. The force field is also used to compute the solvation free energy of 27 compounds not included in the parameterization process, with a RMS error of 0.69 kcal/mol. The results obtained in this study suggest the AMOEBA force field performs well across different environments and phases. The key algorithms involved in the electrostatic model and a protocol for developing parameters are detailed to facilitate extension to additional molecular systems. PMID:22022236

  17. Detection of hot muonic hydrogen atoms emitted in vacuum using x-rays

    Energy Technology Data Exchange (ETDEWEB)

    Jacot-Guillarmod, R. (Fribourg Univ. (Switzerland)); Bailey, J.M. (Liverpool Univ. (United Kingdom)); Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A. (Victoria Univ., BC (Canada)); Beveridge, J.L.; Marshall, G.M. (TRIUMF, Vancouver, BC (Canada)); Brewer, J.H.; Forster, B.M. (British Columbia Univ., Vancouver, BC (Canada)); Huber, T.M. (Gustavus Adolphus Coll., St. Peter, MN (United States)); Kammel, P

    1992-01-01

    Negative muons are stopped in solid layers of hydrogen and neon. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. It was found that the time structure of the muonic neon X-rays follows the exponential law where the rate is the same as the disappearance rate of [mu][sup -]p atoms. The pp[mu]-formation rate and the muon transfer rate to deuterium are deduced.

  18. Detection of hot muonic hydrogen atoms emitted in vacuum using x-rays

    International Nuclear Information System (INIS)

    Negative muons are stopped in solid layers of hydrogen and neon. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. It was found that the time structure of the muonic neon X-rays follows the exponential law where the rate is the same as the disappearance rate of μ-p atoms. The ppμ-formation rate and the muon transfer rate to deuterium are deduced

  19. Detection of hot muonic hydrogen atoms emitted in vacuum using x-rays

    Energy Technology Data Exchange (ETDEWEB)

    Jacot-Guillarmod, R. [Fribourg Univ. (Switzerland); Bailey, J.M. [Liverpool Univ. (United Kingdom); Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A. [Victoria Univ., BC (Canada); Beveridge, J.L.; Marshall, G.M. [TRIUMF, Vancouver, BC (Canada); Brewer, J.H.; Forster, B.M. [British Columbia Univ., Vancouver, BC (Canada); Huber, T.M. [Gustavus Adolphus Coll., St. Peter, MN (United States); Kammel, P.; Zmeskal, J. [Oesterreichische Akademie der Wissenschaften, Vienna (Austria). Inst. fuer Mittelenergiephysik; Kunselman, A.R. [Wyoming Univ., Laramie, WY (United States); Petitjean, C. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1992-12-31

    Negative muons are stopped in solid layers of hydrogen and neon. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. It was found that the time structure of the muonic neon X-rays follows the exponential law where the rate is the same as the disappearance rate of {mu}{sup -}p atoms. The pp{mu}-formation rate and the muon transfer rate to deuterium are deduced.

  20. Hydrogen atoms can be located accurately and precisely by x-ray crystallography

    Science.gov (United States)

    Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan

    2016-01-01

    Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A–H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A–H bond lengths with those from neutron measurements for A–H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors.

  1. Intershell correlations in nonresonant Compton scattering of an X-ray photon by an atom

    Energy Technology Data Exchange (ETDEWEB)

    Hopersky, A. N., E-mail: hopersky_vm_1@rgups.ru; Nadolinsky, A. M.; Ikoeva, K. Kh.; Khoroshavina, O. A. [Rostov State Railway University (Russian Federation)

    2011-11-15

    The role of intershell correlations in nonresonant Compton scattering of an X-ray photon by a free multielectron atom is studied theoretically for the Ar atom. The results of calculation are of a predictive nature. The developed mathematical formalism is general in nature and can be applied to a wide set of elements from the Periodic Table, for which the description of the wavefunctions of scattering states in the nonrelativistic Hartree-Fock approximation remains correct.

  2. Sub-atomic resolution X-ray crystallography and neutron crystallography: promise, challenges and potential

    Directory of Open Access Journals (Sweden)

    Matthew P. Blakeley

    2015-07-01

    Full Text Available The International Year of Crystallography saw the number of macromolecular structures deposited in the Protein Data Bank cross the 100000 mark, with more than 90000 of these provided by X-ray crystallography. The number of X-ray structures determined to sub-atomic resolution (i.e. ≤1 Å has passed 600 and this is likely to continue to grow rapidly with diffraction-limited synchrotron radiation sources such as MAX-IV (Sweden and Sirius (Brazil under construction. A dozen X-ray structures have been deposited to ultra-high resolution (i.e. ≤0.7 Å, for which precise electron density can be exploited to obtain charge density and provide information on the bonding character of catalytic or electron transfer sites. Although the development of neutron macromolecular crystallography over the years has been far less pronounced, and its application much less widespread, the availability of new and improved instrumentation, combined with dedicated deuteration facilities, are beginning to transform the field. Of the 83 macromolecular structures deposited with neutron diffraction data, more than half (49/83, 59% were released since 2010. Sub-mm3 crystals are now regularly being used for data collection, structures have been determined to atomic resolution for a few small proteins, and much larger unit-cell systems (cell edges >100 Å are being successfully studied. While some details relating to H-atom positions are tractable with X-ray crystallography at sub-atomic resolution, the mobility of certain H atoms precludes them from being located. In addition, highly polarized H atoms and protons (H+ remain invisible with X-rays. Moreover, the majority of X-ray structures are determined from cryo-cooled crystals at 100 K, and, although radiation damage can be strongly controlled, especially since the advent of shutterless fast detectors, and by using limited doses and crystal translation at micro-focus beams, radiation damage can still take place

  3. Hydrogen atom position in hydrated iodide anion from x-ray absorption near edge structure

    International Nuclear Information System (INIS)

    Hydrogen atom position in the hydrated iodide anion complex is determined from X-ray Absorption Near Edge Structure (XANES) of an aqueous iodide solution at both the K- and L-edges. The spectra are compared with the theoretical ones calculated by using the FEFF method for several model geometries having hydrogen atoms at different positions. Satisfactory agreements are obtained from models with an almost linear alignment of iodine-hydrogen-oxygen atoms, indicating the capability of the XANES analysis when it is combined with the multiple scattering calculations as a method to detect the positions of hydrogen atoms in the first coordination sphere. (author)

  4. Atomic Data Needs for the New Generation of X-ray Observatories

    Science.gov (United States)

    Garcia, Javier; 6174967980

    2016-06-01

    Modeling X-ray spectra produced by photoionized plasmas is crucial for the physical interpretation of many astrophysical sources. These models rely on theoretical and numerical techniques, but importantly also on the availability of reliable atomic data. The need for accurate data continues to grow with the advent of new and more sensitive instruments. I will describe atomic-data requirements for addressing three astrophysical problems: (1) atomic, molecular, and dust absorption in the ISM; (2) detection and characterization of inner-shell lines from various trace elements or Fe-peak elements (e.g., P, K, Cr, Mn, Co); and (3) modeling X-ray spectra reflected from black hole accretion disks in the high-density limit. I will discuss the importance ofthese studies, and the limitations of the theoretical models presently being used to fit data from such current missions as NuSTAR and Astro-H (Hitomi).

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

    International Nuclear Information System (INIS)

    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

  6. 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

  7. $K$-series X-rays yield measurement of kaonic hydrogen atoms in gaseous target

    CERN Document Server

    Bazzi, M; Bellotti, G; Berucci, C; Bragadireanu, A M; Bosnar, D; Cargnelli, M; Curceanu, C; Butt, A D; d'Uffizi, A; Fiorini, C; Ghio, F; Guaraldo, C; Hayanao, R S; Iliescu, M; Ishiwatari, T; Iwasaki, M; Sandri, P Levi; Marton, J; Okada, S; Pietreanu, D; Piscicchia, K; Vidal, A Romero; Sbardella, E; Scordo, A; Shi, H; Sirghi, D L; Sirghi, F; Tatsuno, H; Doce, O Vazquez; Widmann, E; Zmeskal, J

    2016-01-01

    We measured the $K$-series X-rays of the $K^{-}p$ exotic atom in the SIDDHARTA experiment with a gaseous hydrogen target of 1.3 g/l, which is about 15 times the $\\rho_{\\rm STP}$ of hydrogen gas. At this density, the absolute yields of kaonic X-rays, when a negatively charged kaon stopped inside the target, were determined to be 0.012$^{+0.004}_{-0.003}$ for $K_{\\alpha}$ and 0.043$^{+0.012}_{-0.011}$ for all the $K$-series transitions $K_{tot}$. These results, together with the KEK E228 experiment results, confirm for the first time a target density dependence of the yield predicted by the cascade models, and provide valuable information to refine the parameters used in the cascade models for the kaonic atoms.

  8. Testing EUV/X-ray Atomic Data for the Solar Dynamics Observatory

    CERN Document Server

    Testa, Paola; Landi, Enrico

    2011-01-01

    The Atmospheric Imaging Assembly (AIA) and the Exteme-ultraviolet Variability Experiment (EVE) onboard the Solar Dynamics Observatory include spectral windows in the X-ray/EUV band. Accuracy and completeness of the atomic data in this wavelength range is essential for interpretation of the spectrum and irradiance of the solar corona, and of SDO observations made with the AIA and EVE instruments. Here we test the X-ray/EUV data in the CHIANTI database to assess their completeness and accuracy in the SDO bands, with particular focus on the 94A and 131A AIA passbands. Given the paucity of solar observations adequate for this purpose, we use high-resolution X-ray spectra of the low-activity solar-like corona of Procyon obtained with the Chandra Low Energy Transmission Grating Spectrometer (LETGS). We find that while spectral models overall can reproduce quite well the observed spectra in the soft X-ray range ll 130A, they significantly underestimate the observed flux in the 50-130A wavelength range. The model und...

  9. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering

    OpenAIRE

    Simon Schreck; Annette Pietzsch; Brian Kennedy; Conny Såthe; Miedema, Piter S.; Simone Techert; Strocov, Vladimir N.; Thorsten Schmitt; Franz Hennies; Jan-Erik Rubensson; Alexander Föhlisch

    2016-01-01

    Thermally driven chemistry as well as materials’ functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at ...

  10. Elemental analysis of hair samples using energy dispersive X-ray fluorescence and atomic absorption spectroscopy

    International Nuclear Information System (INIS)

    Elemental analysis of hair samples was performed using energy dispersive X-ray fluorescence. The ion exchange preconcentration technique was employed. The capacity of the exchanger used-cellulose hyphan at different pH was investigated to determine the optimum pH for the resin. The capacity of the resin to take up elements of interest from mixed solutions was also analysed using atomic absorption spectroscopy. (author)

  11. Low and medium energy standard X-Ray calibration facility in Bhabha Atomic Research Centre

    International Nuclear Information System (INIS)

    Due to increased use of radioisotopes in medical, industrial, R and D etc., applications, the need of radiation protection level instruments has increased many folds. Type testing of newly developed instruments is essential before their routine use. Depending on intended photon energy range specified by manufacturer, the evaluation of energy response characteristics of the instrument requires International Organization for Standardization (ISO) recommended for low and medium X-ray beam qualities. Also type testing as per international standards provides confidence, traceability in measurements and to ascertain healthy operating condition of these instruments for their intended long time use. Calibration of radiation monitoring instruments at low and medium energy X-ray is presently carried out only at the national apex laboratory (Bhabha Atomic Research Centre in India). The beam qualities and measurement techniques are available as per recommendations of ISO 4037 and International Atomic Energy Agency (IAEA) Safety Report Series 16. Present paper is intended to provide information about the low and medium energy standard X-ray calibration facility available at Radiation Standards Section, Radiological Physics and Advisory Division, Bhabha Atomic Research Centre for radiation field users and instrument manufacturers/developers to avail this facility

  12. Single X-Ray Attosecond Pulse Generation by Using Combined Pulses Irradiating on a United Two-Atom System

    Institute of Scientific and Technical Information of China (English)

    CHEN Ji-Gen; LI Chen; CHI Fang-Ping; YANG Yu-Jun

    2007-01-01

    @@ A scheme of a single x-ray attosecond pulse generation from a two-atom system exposed to the combined laser pulses is proposed. Our numerical results show that a single x-ray attosecond pulse rather than a train one can be produced by modulation of ionization.

  13. Quantum electrodynamics tests and X-rays standards using pionic atoms and highly charged ions

    International Nuclear Information System (INIS)

    The object of this thesis is to present a new measurement of the pion mass using pionic nitrogen X-ray spectroscopy and results on helium-like argon and sulphur spectroscopy. The new pion mass has been measured with an accuracy of 1.7 ppm, 30% better that the present world average value, and it is obtained from Bragg spectroscopy of 5 ->4 pionic nitrogen transitions using the theoretical predictions provided by quantum electrodynamics. We have got: m(π-) = (139.571042 ± 0.000210 ± 0.000110) where the first error is due to the statistics and the second is the systematic error. I present the calculation of the hyperfine structure and recoil corrections for pionic atoms using a new perturbation method for the Klein-Gordon equation. The spectrometer used for this measurement has been characterized with the relativistic M1 transitions from helium-like ions produced with a new device, the Electron-Cyclotron-Resonance Ion Trap. High statistics spectra from these ions have enabled us to measure transition energies with an accuracy of some ppm which has allowed us to compare theoretical predictions with experiment data. X-ray emission from pionic atoms and multicharged ions can be used to define new types of X-ray standards for energies of a few keV

  14. New frontiers in X-ray photoionization of ions and atoms

    International Nuclear Information System (INIS)

    A high-brightness tunable x-ray source, such as synchrotron, would be an extremely useful device for atomic physics studies. Since the coupling between the x-ray photons and the target is weak (of the order of the fine-structure constant, ∼ 1/137, compared to coulomb coupling), the dynamics of the target can be investigated. A high-brightness photon source is needed to produce enough counts to do an experiment in a finite time (where finite is related to the lifetime of the beam) where the target density is low. Target density may be low because it is difficult to create such a target, such as in the case of multi-charged positive ions. In addition, target density may be kept low intentionally, so that emerging electrons are not scattered on their way out of the interaction region before they are detected. Thus, a high-brightness x-ray synchrotron opens (or enhances) the possibility of a number of experiments concerning ions and atoms. In this paper, some of the emerging possibilities are outlined; it is meant to be indicative, not exhaustive

  15. Extracting material parameters from x-ray attenuation: a CT feasibility study using kilovoltage synchrotron x-rays incident upon low atomic number absorbers

    International Nuclear Information System (INIS)

    The work reported here is a feasibility study of the extraction of material parameters from measurements of the linear x-ray attenuation coefficient of low atomic number absorbers. Computed tomography (CT) scans of small samples containing several liquids and solids were carried out with synchrotron radiation at the Australian National Beamline Facility (BL 20B) in Japan. Average values of the x-ray linear attenuation coefficient were extracted for each material for x-ray energies ranging from 11 keV to 20.5 keV. The electron density was estimated by applying results derived from a parametrization of the x-ray linear attenuation coefficient first developed by Jackson and Hawkes and extended for this work. Average estimates for the electron density of triethanolamine and acetic acid were made to within +5.3% of the actual value. Other materials examined included furfuraldehyde, perspex and teflon, for which average estimates of the electron density were less than 10% in excess of the calculated value

  16. Development of the atomic pair-distribution function analysis by synchrotron X-ray

    International Nuclear Information System (INIS)

    Atomic pair-distribution function (PDF) analysis are the method which visualizes the structure from a short- to middle-range order. It has been applied to amorphous materials and liquids in the past. It could also be used now for the crystallized materials by using a synchrotron X-ray and a pulsed neutron facilities. There is some deviation between the average structure obtained by the traditional crystal structure analysis, and the local structure caused by the domain configuration in ferroelectrics, magnetic materials, hydrogen-storage materials, etc. The PDF analysis is attracted as the method bridging the local and the average structure. The outline of development of research technique and applications are reviewed about the PDF analysis using synchrotron X-ray. (author)

  17. X-ray fluorescence/Auger-electron coincidence spectroscopy of vacancy cascades in atomic argon

    Energy Technology Data Exchange (ETDEWEB)

    Arp, U. [National Inst. of Standards and Technology, Gaithersburg, MD (United States). Electron and Optical Physics Div.; LeBrun, T.; Southworth, S.H.; Jung, M. [Argonne National Lab., IL (United States). Physics Div.; MacDonald, M.A. [E.P.S.R.C. Daresbury Lab., Warrington (United Kingdom)

    1996-12-01

    Argon L{sub 2.3}-M{sub 2.3}M{sub 2.3} Auger-electron spectra were measured in coincidence with K{alpha} fluorescent x-rays in studies of Ar K-shell vacancy decays at several photon energies above the K-threshold and on the 1s-4p resonance in atomic argon. The complex spectra recorded by conventional electron spectroscopy are greatly simplified when recorded in coincidence with fluorescent x-rays, allowing a more detailed analysis of the vacancy cascade process. The resulting coincidence spectra are compared with Hartree-Fock calculations which include shake-up transitions in the resonant case. Small energy shifts of the coincidence electron spectra are attributed to post-collision interaction with 1s photoelectrons.

  18. Precision Spectroscopy of Kaonic Helium-3 Atoms X-rays at J-PARC

    Directory of Open Access Journals (Sweden)

    Tanida K.

    2010-04-01

    Full Text Available We will measure the Balmer-series x-rays of kaonic-3He atoms using large-area high-resolution silicon drift x-rays detectors in order to provide the crucial information of K−-nucleus strong interaction at the low energy limit. The strong interaction 2p level shift will be determined with a precision of a few eV. At the present status, the construction of all detectors is in progress. In February, 2009, the first tuning of K1.8BR beamline was performed by the secondary beam generated in J-PARC hadron facility. The data taking will be started soon.

  19. Atomic-Scale Studies of Oxides Supported Catalysts by X-ray and Imaging Methods

    Science.gov (United States)

    Feng, Zhenxing

    2011-12-01

    Oxide supported metal and metal oxide catalysts have been synthesized by molecular beam epitaxy (MBE) and atomic-layer deposition (ALD). To obtain a general idea of how a catalyst behaves chemically and structurally during reduction-oxidization (redox) reaction at atomic-scale, oxide single crystals with well-defined surfaces are used as supports to grow monolayer (ML) and sub-ML catalysts. Several model catalysis systems are investigated: Pt/SrTiO 3(001), WOX/alpha-Fe2O3(0001), VO X/alpha-TiO2(110) and mixed VOX/WOX/alpha-TiO 2(110). For purposes of comparison the catalysts include a noble metal (Pt), inert oxide (WOX) and active oxide (VOX). The oxide supports are categorized as a reducible substrate, alpha-Fe2 O3(0001), and non-reducible substrates, alpha-TiO 2(110) and SrTiO3(001). To obtain in situ information, a variety of X-ray and scanning imaging methods have been applied together to study the atomic-scale surface morphology, structure and cation dynamics during chemical reactions. These characterization techniques are: X-ray standing wave (XSW), grazing-incident small angle X-ray scattering (GISAXS), X-ray absorption fine structure (XAFS), X-ray reflectivity (XRR), X-ray fluorescence (XRF), X-ray photoelectron spectroscopy (XPS), atomic-force microscopy (AFM) and scanning electron microscopy (SEM). Our studies show that different combinations of catalysts and substrates give distinct structural and chemical state changes in redox reactions. For MBE deposited sub-monolayer (sub-ML) Pt on the 2 x 1 SrTiO 3(001) surface, AFM shows the formation of nanoparticles and XSW atomic imaging shows that these nanoparticles are composed of Pt face-centered-cubic nanocrystals with cube-on-cube epitaxy coherent to the substrate unit cell. Different Pt coverages lead to differences in the observed XSW image of the interfacial structure, which is explained by the Pt-Pt interaction becoming stronger than the Pt-substrate interaction as the coverage is increased from 0.2 to

  20. Fusion plasma diagnostics by means of atomic emissions in X-ray range

    International Nuclear Information System (INIS)

    ITER, a fusion reactor will also provide an ample opportunity for advance atomic physic data and understanding. The fusion plasma interactions with the internal machine components will release particles. These impurity elements of low to high atomic numbers, once enter into the plasma boundary and as transport towards the core will undergo numerous atomic processes like excitation, relaxation, recombination, or ionization; and will result in line and continuum emissions from the impurity atoms or ions. Currently application of Tungsten as diverter material is foreseen for ITER. So, there is a need of advancement in atomic modelling for Tungsten as enabling optical and spectroscopy diagnostic designs require extensive simulation data from the emission modelling. India is responsible for delivering two X-ray Crystal Spectrometers to ITER which are based on X-ray spectroscopy (XRCS) of Hydrogen or Helium like ions of low or high Z impurities in the plasmas. The XRCS-Survey, a broad-band X-ray spectrometer, is one of the important diagnostic systems which will be put in the first set of diagnostics on ITER helping the start-up of the plasma operations. The primary function of this spectrometer will be to accurately measure plasma impurity concentration and their in-flux at fast enough rates in order to protect and/or control the machine during all phases of the ITER operations. The XRCS-Edge, a modified Johann spectrometer, is dedicated to measure profiles of ion temperature and poloidal rotation velocity in the plasma edge regions. Edge spectrometer is mainly required for advanced plasma control and will provide valuable data for edge pedestal physics. These systems will have to reliably function in the high neutron environment of the ITER. Preliminary design of the spectrometers is currently on-going and performance has been simulated with the impurity emission data modelled with ADAS atomic database and SANCO impurity transport code. This presentation will focus on

  1. Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum

    Science.gov (United States)

    Schnieders, Michael J.; Baker, Nathan A.; Ren, Pengyu; Ponder, Jay W.

    2007-03-01

    Modeling the change in the electrostatics of organic molecules upon moving from vacuum into solvent, due to polarization, has long been an interesting problem. In vacuum, experimental values for the dipole moments and polarizabilities of small, rigid molecules are known to high accuracy; however, it has generally been difficult to determine these quantities for a polar molecule in water. A theoretical approach introduced by Onsager [J. Am. Chem. Soc. 58, 1486 (1936)] used vacuum properties of small molecules, including polarizability, dipole moment, and size, to predict experimentally known permittivities of neat liquids via the Poisson equation. Since this important advance in understanding the condensed phase, a large number of computational methods have been developed to study solutes embedded in a continuum via numerical solutions to the Poisson-Boltzmann equation. Only recently have the classical force fields used for studying biomolecules begun to include explicit polarization in their functional forms. Here the authors describe the theory underlying a newly developed polarizable multipole Poisson-Boltzmann (PMPB) continuum electrostatics model, which builds on the atomic multipole optimized energetics for biomolecular applications (AMOEBA) force field. As an application of the PMPB methodology, results are presented for several small folded proteins studied by molecular dynamics in explicit water as well as embedded in the PMPB continuum. The dipole moment of each protein increased on average by a factor of 1.27 in explicit AMOEBA water and 1.26 in continuum solvent. The essentially identical electrostatic response in both models suggests that PMPB electrostatics offers an efficient alternative to sampling explicit solvent molecules for a variety of interesting applications, including binding energies, conformational analysis, and pKa prediction. Introduction of 150mM salt lowered the electrostatic solvation energy between 2 and 13kcal /mole, depending on

  2. Precision spectroscopy of light kaonic atom X-rays in the SIDDHARTA experiment

    Science.gov (United States)

    Cargnelli, M.; Bazzi, M.; Beer, G.; Bombelli, L.; Bragadireanu, A. M.; Curceanu, C.; Fiorini, C.; Frizzi, T.; Ghio, F.; Girolami, B.; Guaraldo, C.; Hayano, R.; Iliescu, M.; Ishiwatari, T.; Iwasaki, M.; Kienle, P.; Lechner, P.; Sandri, P. Levi; Longoni, A.; Lucherini, V.; Marton, J.; Okada, S.; Pietreanu, D.; Ponta, T.; Vidal, A. Romero; Scordo, A.; Shi, H.-X.; Sirghi, D. L.; Sirghi, F.; Soltau, H.; Strüder, L.; Tatsuno, H.; Doce, O. Vazquez; Widmann, E.; Zmeskal, J.

    2011-10-01

    The KN system at rest makes a sensitive testing ground for low energy QCD. At the DAΦNE electron-positron collider of Laboratori Nazionali di Frascati we study kaonic atoms, taking advantage of the low-energy kaons from Φ-mesons decaying nearly at rest. The DEAR (DAΦNE Exotic Atom Research) experiment at LNF delivered the most precise data on kaonic hydrogen up to now. DEAR and its follow-up experiment SIDDHARTA (Silicon Drift Detector for Hadronic Atom Research by Timing Application) are using X-ray spectroscopy of kaonic atoms to measure the strong interaction induced shift and width of the ground state. SIDDHARTA is the first experiment on kaonic helium-3 and deuterium ever, and kaonic hydrogen was remeasured with improved precision.

  3. Precision spectroscopy of light kaonic atom X-rays in the SIDDHARTA experiment

    International Nuclear Information System (INIS)

    The KN system at rest makes a sensitive testing ground for low energy QCD. At the DAΦNE electron-positron collider of Laboratori Nazionali di Frascati we study kaonic atoms, taking advantage of the low-energy kaons from Φ-mesons decaying nearly at rest. The DEAR (DAΦNE Exotic Atom Research) experiment at LNF delivered the most precise data on kaonic hydrogen up to now. DEAR and its follow-up experiment SIDDHARTA (Silicon Drift Detector for Hadronic Atom Research by Timing Application) are using X-ray spectroscopy of kaonic atoms to measure the strong interaction induced shift and width of the ground state. SIDDHARTA is the first experiment on kaonic helium-3 and deuterium ever, and kaonic hydrogen was remeasured with improved precision.

  4. X-ray holographic microscopy using the atomic-force microscope

    International Nuclear Information System (INIS)

    The present authors have been seeking for some time to improve the resolution of holographic microscopy and have engaged in a continuing series of experiments using the X1A soft x-ray undulator beam line at Brookhaven. The principle strategy for pushing the resolution lower in these experiments has been the use of polymer resists as x-ray detectors and the primary goal has been to develop the technique to become useful for examining wet biological material. In the present paper the authors report on progress in the use of resist for high-spatial-resolution x-ray detection. This is the key step in in-line holography and the one which sets the ultimate limit to the image resolution. The actual recording has always been quite easy, given a high-brightness undulator source, but the difficult step was the readout of the recorded pattern. The authors describe in what follows how they have built a special instrument: an atomic force microscope (AFM) to read holograms recorded in resist. They report the technical reasons for building, rather than buying, such an instrument and they give details of the design and performance of the device. The authors also describe the first attempts to use the system for real holography and the authors show results of both recorded holograms and the corresponding reconstructed images. Finally, the authors try to analyze the effect that these advances are likely to have on the future prospects for success in applications of x-ray holography and the degree to which the other technical systems that are needed for such success are available or within reach

  5. Testing EUV/X-Ray Atomic Data for the Solar Dynamics Observatory

    Science.gov (United States)

    Testa, Paola; Drake, Jeremy J.; Landi, Enrico

    2012-02-01

    The Atmospheric Imaging Assembly (AIA) and the Extreme-ultraviolet Variability Experiment (EVE) on board the Solar Dynamics Observatory (SDO) include spectral windows in the X-ray/EUV band. Accuracy and completeness of the atomic data in this wavelength range is essential for interpretation of the spectrum and irradiance of the solar corona, and of SDO observations made with the AIA and EVE instruments. Here, we test the X-ray/EUV data in the CHIANTI database to assess their completeness and accuracy in the SDO bands, with particular focus on the 94 Å and 131 Å AIA passbands. Given the paucity of solar observations adequate for this purpose, we use high-resolution X-ray spectra of the low-activity solar-like corona of Procyon obtained with the Chandra Low Energy Transmission Grating Spectrometer (LETGS). We find that while spectral models overall can reproduce quite well the observed spectra in the soft X-ray range λ ~ 130 Å, they significantly underestimate the observed flux in the 50-130 Å wavelength range. The model underestimates the observed flux by a variable factor ranging from ≈1.5, at short wavelengths below ~50 Å, up to ≈5-7 in the ~70-125 Å range. In the AIA bands covered by LETGS, i.e., 94 Å and 131 Å, we find that the observed flux can be underestimated by large factors (~3 and ~1.9, respectively, for the case of Procyon presented here). We discuss the consequences for analysis of AIA data and possible empirical corrections to the AIA responses to model more realistically the coronal emission in these passbands.

  6. Atomic motion of resonantly vibrating quartz crystal visualized by time-resolved X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Aoyagi, Shinobu, E-mail: aoyagi@nsc.nagoya-cu.ac.jp [Department of Information and Basic Science, Nagoya City University, Nagoya 467-8501 (Japan); Osawa, Hitoshi; Sugimoto, Kunihisa; Fujiwara, Akihiko [SPring-8/JASRI, Sayo, Hyogo 679-5198 (Japan); Takeda, Shoichi; Moriyoshi, Chikako; Kuroiwa, Yoshihiro [Graduate School of Science, Hiroshima University, Higashihiroshima, Hiroshima 739-8526 (Japan)

    2015-11-16

    Transient atomic displacements during a resonant thickness-shear vibration of AT-cut α-quartz are revealed by time-resolved X-ray diffraction under an alternating electric field. The lattice strain resonantly amplified by the alternating electric field is ∼10{sup 4} times larger than that induced by a static electric field. The resonantly amplified lattice strain is achieved by fast displacements of oxygen anions and collateral resilient deformation of Si−O−Si angles bridging rigid SiO{sub 4} tetrahedra, which efficiently transduce electric energy into elastic energy.

  7. A double cell for X-ray absorption spectrometry of atomic Zn

    CERN Document Server

    Mihelic, A; Arcon, I; Padeznik-Gomilsek, J; Borowski, M

    2002-01-01

    A high-temperature cell with a double wall design has been constructed for X-ray absorption spectrometry of metal vapors. The inner cell, assembled from a corundum tube and thin plates without welding or reshaping, serves as a container of the vapor sample. It is not vacuum tight: instead, the outer tube provides inert atmosphere. Several spectra of K-edge atomic absorption of Zn were obtained in the stationary working regime below the Zn boiling point. The K-edge profile shows an extremely strong resonance and, above the continuum threshold, coexcitations of the outer electrons.

  8. Atomic motion of resonantly vibrating quartz crystal visualized by time-resolved X-ray diffraction

    International Nuclear Information System (INIS)

    Transient atomic displacements during a resonant thickness-shear vibration of AT-cut α-quartz are revealed by time-resolved X-ray diffraction under an alternating electric field. The lattice strain resonantly amplified by the alternating electric field is ∼104 times larger than that induced by a static electric field. The resonantly amplified lattice strain is achieved by fast displacements of oxygen anions and collateral resilient deformation of Si−O−Si angles bridging rigid SiO4 tetrahedra, which efficiently transduce electric energy into elastic energy

  9. Projectile X-ray emission in relativistic ion-atom collisions

    OpenAIRE

    Salem, Shadi

    2010-01-01

    This work reports on the study of the projectile x-ray emission in relativistic ion-atom collisions. Excitation of K-shell in He-like uranium ions, electron capture into H-like uranium ions and Simultaneous ionization and excitation of initially He-like uranium ions have been studied using the experimental storage ring at GSI. Information about the population of the excited states for the H- and He-like uranium ions, can be obtained by measuring the angular distribution of the decay radiation...

  10. Atomic motion of resonantly vibrating quartz crystal visualized by time-resolved X-ray diffraction

    Science.gov (United States)

    Aoyagi, Shinobu; Osawa, Hitoshi; Sugimoto, Kunihisa; Fujiwara, Akihiko; Takeda, Shoichi; Moriyoshi, Chikako; Kuroiwa, Yoshihiro

    2015-11-01

    Transient atomic displacements during a resonant thickness-shear vibration of AT-cut α-quartz are revealed by time-resolved X-ray diffraction under an alternating electric field. The lattice strain resonantly amplified by the alternating electric field is ˜104 times larger than that induced by a static electric field. The resonantly amplified lattice strain is achieved by fast displacements of oxygen anions and collateral resilient deformation of Si-O-Si angles bridging rigid SiO4 tetrahedra, which efficiently transduce electric energy into elastic energy.

  11. X-ray conversion efficiency as a function of atomic number for 0.26-micron-laser - Irradiated targets

    Science.gov (United States)

    Alaterre, P.; Pepin, H.; Fabbro, R.; Faral, B.

    1986-11-01

    Soft-X-ray low-resolution experimental spectra are obtained for a large set of targets irradiated at 2 x 10 to the 14th W/sq cm by 0.26-micron radiation. X-ray conversion efficiencies in various spectral ranges are studied as a function of atomic number. To calculate the emissivity, a simple, multiple-Z atomic-physics model is developed based on a screened-hydrogenic description for the atomic structure and on a non-LTE modified Saha approach to plasma-ionization properties. Experimental soft-X-ray spectra are replicated by using a discrete summation of emissivities over a few temperatures with appropriate weighting factors determined from the experiment or through a separate hydrodynamic-code simulation. The modulations in the Z dependence of the X-ray conversion efficiency in various spectral ranges are well described and interpreted.

  12. Atomic structure of the SbCu surface alloy: A surface X-ray diffraction study

    DEFF Research Database (Denmark)

    Meunier, I.; Gay, J.M.; Lapena, L.; Aufray, B.; Oughaddou, H.; Landemark, E.; Falkenberg, G.; Lottermoser, L.; Johnson, R.L.

    The dissolution at 400 degrees C of an antimony layer deposited at room temperature on a Cu(111) substrate leads to a surface alloy with a p(root 3x root 3)R 30 degrees x 30 degrees superstructure and a Sb composition of 1/3.We present here a structural study of this Sb-Cu compound by surface X......-ray diffraction (SXRD). The best agreement is obtained for a Cu,Sb surface layer with Sb atoms substituting 1/3 of the Cu atoms, over an essentially unperturbed Cu(111) plane. The largest relaxation is undergone by the Sb atoms which rise by 0.32+0.02 Angstrom over the mean plane of its Cu neighbours. No...

  13. Anomalous elastic scattering of x-ray photon by an atom with an open shell

    International Nuclear Information System (INIS)

    In the non-relativistic approximation for the wavefunctions of the one-electron states and in the dipole approximation for the scattering amplitude the effect of relaxation of atomic shells in the field of core vacancies, multiplet splitting, Auger and radiative vacancy decays and virtual processes of one-photon double excitation/ionization from the atomic ground state on the differential cross section of anomalous elastic scattering of the linearly polarized x-ray photon by the copper atom near its 1s-shell ionization threshold are studied. The results of calculations are found to be in agreement with the high-precision synchrotron radiation experiment by Arp et al (1993 J. Phys. B: At. Mol. Opt. Phys. 26 4381)

  14. Anomalous elastic scattering of x-ray photon by an atom with an open shell

    Energy Technology Data Exchange (ETDEWEB)

    Hopersky, A N; Petrov, I D; Nadolinsky, A M; Yavna, V A; Koneev, R V [Rostov State University of Transport Communication, Chair of Mathematics, Rostov-on-Don, 344038 (Russian Federation)

    2004-08-28

    In the non-relativistic approximation for the wavefunctions of the one-electron states and in the dipole approximation for the scattering amplitude the effect of relaxation of atomic shells in the field of core vacancies, multiplet splitting, Auger and radiative vacancy decays and virtual processes of one-photon double excitation/ionization from the atomic ground state on the differential cross section of anomalous elastic scattering of the linearly polarized x-ray photon by the copper atom near its 1s-shell ionization threshold are studied. The results of calculations are found to be in agreement with the high-precision synchrotron radiation experiment by Arp et al (1993 J. Phys. B: At. Mol. Opt. Phys. 26 4381)

  15. Atomic structure of the SbCu surface alloy: A surface X-ray diffraction study

    DEFF Research Database (Denmark)

    Meunier, I.; Gay, J.M.; Lapena, L.;

    1999-01-01

    The dissolution at 400 degrees C of an antimony layer deposited at room temperature on a Cu(111) substrate leads to a surface alloy with a p(root 3x root 3)R 30 degrees x 30 degrees superstructure and a Sb composition of 1/3.We present here a structural study of this Sb-Cu compound by surface X......-ray diffraction (SXRD). The best agreement is obtained for a Cu,Sb surface layer with Sb atoms substituting 1/3 of the Cu atoms, over an essentially unperturbed Cu(111) plane. The largest relaxation is undergone by the Sb atoms which rise by 0.32+0.02 Angstrom over the mean plane of its Cu neighbours. No...

  16. Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties

    Science.gov (United States)

    Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.

    1992-01-01

    The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

  17. New niobium and rhenium halides synthesis routes by atomic vaporization. X-ray absorption spectroscopy characterization

    International Nuclear Information System (INIS)

    New synthetic route as the so called 'chimie douce' or MVS (Metal Vapor Synthesis) has been an increasing field lately to synthesize new kind of solid state structures. Our interest is the assembly of small molecular building blocks of early transition metal halides. We illustrate the use of vaporized rare earth metals to condense NbCls units. We probed the local order around the Nb atom with X-Ray Absorption Spectroscopy, far Infra-Red and XPS in order to better understand the mechanisms involved. A first EXAFS, IR and XPS study on solid state products has shown the evolution of the NbCl5 dimer towards a chain like structure. However, the condensation patterns depends on the rare earth atoms vaporized. These results have been confirmed by X-ray Absorption ab initio calculations. Because our compounds are extremely air sensitive we have developed in situ MVS reactor to take 'snapshots' of the structural intermediates by EXAFS. This study showed the condensation of the initial NbCl5 building blocks by reduction of the Nb oxidation state by rare earth vaporization. This method is a new way of looking at condensation mechanisms via structural evolution observed by EXAFS. (author)

  18. Resonance-mediated atomic ionization dynamics induced by ultraintense x-ray pulses

    Science.gov (United States)

    Ho, Phay J.; Kanter, E. P.; Young, L.

    2015-12-01

    We describe the methodology of our recently developed Monte Carlo rate equation (MCRE) approach, which systematically incorporates bound-bound resonances to model multiphoton ionization dynamics induced by high-fluence, high-intensity x-ray free-electron laser (XFEL) pulses. These resonances are responsible for ionization far beyond that predicted by the sequential single photon absorption model and are central to a quantitative understanding of atomic ionization dynamics in XFEL pulses. We also present calculated multiphoton ionization dynamics for Kr and Xe atoms in XFEL pulses for a variety of conditions, to compare the effects of bandwidth, pulse duration, pulse fluence, and photon energy. This comprehensive computational investigation reveals areas in the photon energy-pulse fluence landscape where resonances are critically important. We also uncover a mechanism, preservation of inner-shell vacancies (PIVS), whereby radiation damage is enhanced at higher XFEL intensities and identify the sequence of core-outer-Rydberg, core-valence, and core-core resonances encountered during multiphoton x-ray ionization.

  19. The anisotropy of molecular X-rays produced in heavy-ion-atom collisions

    International Nuclear Information System (INIS)

    A photon energy dependent anisotropy of the molecular X-rays produced in quasiadiabatic heavy-ion-atom-collisions was predicted and observed by several authors. These and some additional new results can prove the molecular origin of this effect. The experimental data for six symmetric systems (Al-Al, Ca-Ca, Fe-Fe, Ni-Ni, Ag-Ag, I-I) and five asymmetric cases (Cl-Ni, Fe-Ni, Ni-Fe, Ag-I, I-Ag) at different beam energies in the range of 20 to 62.5 MeV give a check of the Z2-scaling not only for KX-rays but also for L- and M anisotropy peaks. The positions of the bumps are all as expected clearly above the united atom limit. They are independent of the beam energy. Some models to describe the anisotropy phenomena are discussed. A new striking feature was found with the fine structure of the X-ray anisotropies. These periodic intensity fluctuations appear if the evaluation is performed with sufficiently good energy resolution. There is an evidence, that the anisotropy effect can be used to perform spectroscopy of arbitrary two-centre levels. However caution is required if one is to apply these ideas to the spectroscopy of superheavy systems. (MKO)

  20. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering.

    Science.gov (United States)

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S; Techert, Simone; Strocov, Vladimir N; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-01

    Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future. PMID:26821751

  1. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering

    Science.gov (United States)

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S.; Techert, Simone; Strocov, Vladimir N.; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-01

    Thermally driven chemistry as well as materials’ functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

  2. 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 .

  3. Atomic physics studies of highly charged ions on tokamaks using x-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P.; von Goeler, S.; Bitter, M.; Hill, K.W.

    1989-07-01

    An overview is given of atomic physics issues which have been studied on tokamaks with the help resolution x-ray spectroscopy. The issues include the testing of model calculations predicting the excitation of line radiation, the determination of rate coefficients, and accurate atomic structure measurements. Recent research has focussed primarily on highly charged heliumlike (22 less than or equal to Z less than or equal to 28) and neonlike (34 less than or equal to Z less than or equal to 63) ions, and results are presented from measurements on the PLT and TFTR tokamaks. Many of the measurements have been aided by improved instrumental design and new measuring techniques. Remarkable agreement has been found between measurements and theory in most cases. However, in this review those areas are stressed where agreement is worst and where further investigations are needed. 19 refs., 13 figs., 2 tabs.

  4. Atomic physics studies of highly charged ions on tokamaks using x-ray spectroscopy

    International Nuclear Information System (INIS)

    An overview is given of atomic physics issues which have been studied on tokamaks with the help resolution x-ray spectroscopy. The issues include the testing of model calculations predicting the excitation of line radiation, the determination of rate coefficients, and accurate atomic structure measurements. Recent research has focussed primarily on highly charged heliumlike (22 ≤ Z ≤ 28) and neonlike (34 ≤ Z ≤ 63) ions, and results are presented from measurements on the PLT and TFTR tokamaks. Many of the measurements have been aided by improved instrumental design and new measuring techniques. Remarkable agreement has been found between measurements and theory in most cases. However, in this review those areas are stressed where agreement is worst and where further investigations are needed. 19 refs., 13 figs., 2 tabs

  5. Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides

    Science.gov (United States)

    Sokalski, W. A.; Keller, D. A.; Ornstein, R. L.; Rein, R.

    1993-01-01

    The defects in atomic monopole models of molecular charge distribution have been analyzed for several model-blocked peptides and compared with accurate quantum chemical values. The results indicate that the angular characteristics of the molecular electrostatic potential around functional groups capable of forming hydrogen bonds can be considerably distorted within various models relying upon isotropic atomic charges only. It is shown that these defects can be corrected by augmenting the atomic point charge models by cumulative atomic multipole moments (CAMMs). Alternatively, sets of off-center atomic point charges could be automatically derived from respective multipoles, providing approximately equivalent corrections. For the first time, correlated atomic multipoles have been calculated for N-acetyl, N'-methylamide-blocked derivatives of glycine, alanine, cysteine, threonine, leucine, lysine, and serine using the MP2 method. The role of the correlation effects in the peptide molecular charge distribution are discussed.

  6. First application of superconducting transition-edge-sensor microcalorimeters to hadronic-atom x-ray spectroscopy

    CERN Document Server

    Okada, S; Curceanu, C; Doriese, W B; Fowler, J W; Gard, J; Gustafsson, F P; Hashimoto, T; Hayano, R S; Hirenzaki, S; Hays-Wehle, J P; Hilton, G C; Ikeno, N; Iliescu, M; Ishimoto, S; Itahashi, K; Iwasaki, M; Koike, T; Kuwabara, K; Ma, Y; Marton, J; Noda, H; O'Neil, G C; Outa, H; Reintsema, C D; Sato, M; Schmidt, D R; Shi, H; Suzuki, K; Suzuki, T; Swetz, D S; Tatsuno, H; Uhlig, J; Ullom, J N; Widmann, E; Yamada, S; Yamagata-Sekihara, J; Zmeskal, J

    2016-01-01

    High-resolution pionic-atom x-ray spectroscopy was performed with an x-ray spectrometer based on a 240-pixel array of superconducting transition-edge-sensor (TES) microcalorimeters at the piM1 beam line of the Paul Scherrer Institute. X-rays emitted by pionic carbon via the 4f->3d transition and the parallel 4d->3p transition were observed with a full-width-at-half-maximum energy resolution of 6.8 eV at 6.4 keV. Measured x-ray energies are consistent with calculated electromagnetic values which considered the strong-interaction effect assessed via the Seki-Masutani potential for the 3p energy level, and favor the electronic population of two filled 1s electrons in the K-shell. Absolute energy calibration with an uncertainty of 0.1 eV was demonstrated under a high-rate hadron beam condition of 1.45 MHz. This is the first application of a TES spectrometer to hadronic-atom x-ray spectroscopy and is an important milestone towards next-generation high-resolution kaonic-atom x-ray spectroscopy.

  7. Ordered many-electron motions in atoms and x-ray lasers

    International Nuclear Information System (INIS)

    Subpicosecond ultraviolet laser technology is enabling the exploration of nonlinear atomic interactions with electric field strengths considerably in excess of an atomic unit. As this regime is approached, experiments studying multiple ionization, photoelectron energy spectra, and harmonically produced radiation all exhibit strong nonlinear coupling. Peak total energy transfer rates on the order of ∼2 x 10-4 W/atom have been observed at an intensity of ∼1016 W/cm2, and it is expected that energy transfer rates approaching ∼0.1 to 1 W/atom will occur under more extreme conditions for which the ultraviolet electric field E is significantly greater than e/a02. In this high intensity regime, a wide range of new nonlinear phenomena will be open to study. These will include the possibility of ordered driven motions in atoms, molecules, and plasmas, mechanisms involving collisions, and relativistic processes such as electron-positron pair production. An understanding of these physical interactions may provide a basis for the generation of stimulated emission in the x-ray range. 100 refs., 8 figs

  8. Medical X-ray doses' contributions to the ionizing radiation exposures of atomic-bomb survivors

    International Nuclear Information System (INIS)

    Doses from diagnostic radiological examinations were measured in order to evaluate the radiation risks of atomic-bomb survivors in Hiroshima and Nagasaki. Using a phantom human, doses to the active bone marrow, gonads, salivary glands, thyroid gland, lung, breast, stomach and colon were determined by type of examination and by examination site. The results of this dosimetry program will aid in estimating the diagnostic exposure doses received by each participant in the Adult Health Study of the Radiation Effects Research Foundation. The current results of these dosimetry studies also indicate that the effects of A-bomb exposure cannot be reliably assessed unless medical X-ray doses are carefully incorporated into these long-term evaluations. (author) 51 refs

  9. Atomic layer deposition to prevent metal transfer from implants: An X-ray fluorescence study

    Science.gov (United States)

    Bilo, Fabjola; Borgese, Laura; Prost, Josef; Rauwolf, Mirjam; Turyanskaya, Anna; Wobrauschek, Peter; Kregsamer, Peter; Streli, Christina; Pazzaglia, Ugo; Depero, Laura E.

    2015-12-01

    We show that Atomic Layer Deposition is a suitable coating technique to prevent metal diffusion from medical implants. The metal distribution in animal bone tissue with inserted bare and coated Co-Cr alloys was evaluated by means of micro X-ray fluorescence mapping. In the uncoated implant, the migration of Co and Cr particles from the bare alloy in the biological tissues is observed just after one month and the number of particles significantly increases after two months. In contrast, no metal diffusion was detected in the implant coated with TiO2. Instead, a gradient distribution of the metals was found, from the alloy surface going into the tissue. No significant change was detected after two months of aging. As expected, the thicker is the TiO2 layer, the lower is the metal migration.

  10. Sub-atomic dimensional metrology: developments in the control of x-ray interferometers

    International Nuclear Information System (INIS)

    Within the European Metrology Research Programme funded project NANOTRACE, the nonlinearity of the next generation of optical interferometers has been measured using x-ray interferometry. The x-ray interferometer can be regarded as a ruler or translation stage whose graduations or displacement steps are based on the lattice spacing of the crystallographic planes from which the x-rays are diffracted: in this case the graduations are every 192 pm corresponding to the spacing between the (2 2 0) planes in silicon. Precise displacement of the x-ray interferometer's monolithic translation stage in steps corresponding to discrete numbers of x-ray fringes requires servo positioning capability at the picometre level. To achieve this very fine control, a digital control system has been developed which has opened up the potential for advances in metrology using x-ray interferometry that include quadrature counting of x-ray fringes. (paper)

  11. X-ray spectroscopy of light kaonic atoms – new results and perspectives

    Energy Technology Data Exchange (ETDEWEB)

    Marton, J. [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Bazzi, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Beer, G. [Dep. of Physics and Astronomy, University of Victoria, P.O.Box 3055, Victoria B.C. Canada V8W3P6 (Canada); Berucci, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Bombelli, L. [Politecnico di Milano, Dip. di Elettronica e Informazione, Piazza L. da Vinci, 32 I-20133 Milano (Italy); Bragadireanu, A.M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); IFIN-HH, P.O. box MG-6, R76900 Magurele, Bucharest (Romania); Cargnelli, M. [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Curceanu, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); D' Uffizi, A.; Fiorini, C.; Frizzi, T. [Politecnico di Milano, Dip. di Elettronica e Informazione, Piazza L. da Vinci, 32 I-20133 Milano (Italy); Ghio, F. [INFN Sez. di Roma I and Instituto Superiore di Sanita I-00161, Roma (Italy); Guaraldo, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Hayano, R. [University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo (Japan); Iliescu, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Ishiwatari, T. [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Iwasaki, M. [RIKEN, Institute of Physical and Chemical Research, Saitama (Japan); and others

    2012-12-15

    The antikaon interaction on nucleons and nuclei in the low-energy regime is neither simple nor well understood. Rather direct access to this field is provided by x-ray spectroscopy of light kaonic atoms like kaonic hydrogen, deuterium and helium isotopes. A series of precision measurements on kaonic atoms was performed very successfully by the SIDDHARTA Collaboration at the DAΦNE electron-positron collider at LNF-INFN (Frascati, Italy). Consequently, new precision data on the strong interaction observables (i.e. energy shift and broadening of low-lying atomic states) were delivered having an important impact on the theory of low-energy QCD with strangeness. Presently, the follow-up experiment, SIDDHARTA-2, is in preparation, aiming at a determination of the strong interaction observables in kaonic deuterium as the highest priority; other type of measurements (light and heavier kaonic atoms) are as well foreseen. With the kaonic deuterium data the antikaon-nucleon isospin-resolved scattering lengths can be extracted for the first time. An overview of the progress and present status of experimental studies and an outlook to future perspectives in this fascinating research field is given.

  12. Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimization.

    Science.gov (United States)

    Elking, Dennis M

    2016-08-15

    New equations for torque and atomic force are derived for use in flexible molecule force fields with atomic multipoles. The expressions are based on Cartesian tensors with arbitrary multipole rank. The standard method for rotating Cartesian tensor multipoles and calculating torque is to first represent the tensor with n indexes and 3(n) redundant components. In this work, new expressions for directly rotating the unique (n + 1)(n + 2)/2 Cartesian tensor multipole components Θpqr are given by introducing Cartesian tensor rotation matrix elements X(R). A polynomial expression and a recursion relation for X(R) are derived. For comparison, the analogous rotation matrix for spherical tensor multipoles are the Wigner functions D(R). The expressions for X(R) are used to derive simple equations for torque and atomic force. The torque and atomic force equations are applied to the geometry optimization of small molecule crystal unit cells. In addition, a discussion of computational efficiency as a function of increasing multipole rank is given for Cartesian tensors. © 2016 Wiley Periodicals, Inc. PMID:27349179

  13. Determination of dopant atomic positions with kinematical X-ray standing waves

    International Nuclear Information System (INIS)

    Recent advances in the kinematic X-ray standing wave technique (KXSW) for the determination of the atomic coordinates and displacement parameters in nonperfect crystalline materials are described in this thesis. The methodology has been improved by considering three significant aspects: - the inclusion of weak multiple beam contributions - the excitation of secondary fluorescence in multiple-element samples - the influence of the crystal mosaicity on the fluorescence yield. The improvements allowed to successfully apply the method to investigate complex oxide materials of current interest for potential device applications. The thermally-induced interdiffusion of cobalt and manganese thin films on zinc oxide single crystals has been studied to determine which lattice sites are occupied preferentially. The data analysis revealed that after thermal diffusion the adsorbed atoms occupied zinc sites in the host lattice. The mean deviation of the cobalt atomic position from the zinc lattice site was comparable to the thermal displacement parameter of the zinc atoms. In the case of manganese a secondary phase was found on the surface. Measurements performed on LaSrMnO4 provided new insight concerning the rotation of the oxygen octahedron around the manganese atoms and the concomitant displacements of the strontium and lanthanum atoms. It was found that the oxygen octahedra are rotated around the [100]-direction by 4,5 . The measurements in transmission geometry performed on titanium dioxide (rutile) demonstrated that KXSW measurements in the Laue geometry is a viable technique. By performing KXSW under grazing-incidence conditions it is possible to achieve depth resolution. The results clearly show that the extended KXSW technique is a versatile method for characterizing complex material systems. (orig.)

  14. X-ray emission from a high-atomic-number z-pinch plasma created from compact wire arrays

    International Nuclear Information System (INIS)

    Thermal and nonthermal x-ray emission from the implosion of compact tungsten wire arrays in 5-MA Saturn discharges is reported. The timing of multiple implosions and the thermal x-ray spectra (1 to 10 keV) agree with 2D radiation-hydrocode simulations. Nonthermal x-ray emission (10 to 100 keV) correlates with pinch spots distributed along the z-axis. The similarities of the measured nonthermal spectrum, yield, and pinch-spot emission with those of 0.8-MA, single-exploded-wire discharges on Gamble-II suggest a common nonthermal-production mechanism. Nonthermal x-ray yields are lower than expected from current scaling of Gamble II results, suggesting that implosion geometries are not as efficient as single-wire geometries for nonthermal x-ray production. The instabilities, azimuthal asymmetries, and inferred multiple implosions that accompany the implosion geometry lead to larger, more irregular pinch spots, a likely reason for reduced nonthermal efficiency. A model for nonthermal-electron acceleration across magnetic fields in highly-collisional, high-atomic-number plasmas combined with 1D hydrocode simulations of Saturn compact loads predicts weak nonthermal x-ray emission. (author). 3 figs., 10 refs

  15. X-ray emission from a high-atomic-number z-pinch plasma created from compact wire arrays

    International Nuclear Information System (INIS)

    Thermal and nonthermal x-ray emission from the implosion of compact tungsten wire arrays in 5-MA Saturn discharges is reported. The timing of multiple implosions and the thermal x-ray spectra (1 to 10 keV) agree with 2D radiation-hydrocode simulations. Nonthermal x-ray emission (10 to 100 keV) correlates with pinch spots distributed along the z-axis. The similarities of the measured nonthermal spectrum, yield, and pinch-spot emission with those of 0.8-MA, single- exploded-wire discharges on Gamble-II suggest a common nonthermal- production mechanism. Nonthermal x-ray yields are lower than expected from current scaling of Gamble II results, suggesting that implosion geometries are not as efficient as single-wire geometries for nonthermal x-ray production. The instabilities, azimuthal asymmetries, and inferred multiple implosions that accompany the implosion geometry lead to larger, more irregular pinch spots, a likely reason for reduced nonthermal efficiency. A model for nonthermal-electron acceleration across magnetic fields in highly- collisional, high-atomic-number plasmas combined with 1D hydrocode simulations of Saturn compact loads predicts weak nonthermal x-ray emission

  16. New Directions in X-Ray Light Sources or Fiat Lux: what's under the dome and watching atoms with x-rays (LBNL Summer Lecture Series)

    Energy Technology Data Exchange (ETDEWEB)

    Falcone, Roger

    2008-07-15

    Summer Lecture Series 2008: Molecular movies of chemical reactions and material phase transformations need a strobe of x-rays, the penetrating light that reveals how atoms and molecules assemble in chemical and biological systems and complex materials. Roger Falcone, Director of the Advanced Light Source,will discuss a new generation of x ray sources that will enable a new science of atomic dynamics on ultrafast timescales.

  17. X-ray crystal structure of anhydrous chitosan at atomic resolution.

    Science.gov (United States)

    Naito, Philip-Kunio; Ogawa, Yu; Sawada, Daisuke; Nishiyama, Yoshiharu; Iwata, Tadahisa; Wada, Masahisa

    2016-07-01

    We determined the crystal structure of anhydrous chitosan at atomic resolution, using X-ray fiber diffraction data extending to 1.17 Å resolution. The unit cell [a = 8.129(7) Å, b = 8.347(6) Å, c = 10.311(7) Å, space group P21 21 21 ] of anhydrous chitosan contains two chains having one glucosamine residue in the asymmetric unit with the primary hydroxyl group in the gt conformation, that could be directly located in the Fourier omit map. The molecular arrangement of chitosan is very similar to the corner chains of cellulose II implying similar intermolecular hydrogen bonding between O6 and the amine nitrogen atom, and an intramolecular bifurcated hydrogen bond from O3 to O5 and O6. In addition to the classical hydrogen bonds, all the aliphatic hydrogens were involved in one or two weak hydrogen bonds, mostly helping to stabilize cohesion between antiparallel chains. © 2016 Wiley Periodicals, Inc. Biopolymers 105: 361-368, 2016. PMID:26930586

  18. Dipole-forbidden atomic transitions induced by superintense x-ray laser fields

    Science.gov (United States)

    Simonsen, Aleksander Skjerlie; Førre, Morten

    2016-06-01

    A hydrogen atom, initially prepared in the 2 s and/or 2 p (m =±1 ) states, is assumed irradiated by 0.8 keV (1.5 nm) photons in pulses of 1 -250 fs duration and intensities in the range 1020 to 1023W /cm2 . Solving the corresponding time-dependent Schrödinger equation from first principles, we show that the ionization and excitation dynamics of the laser-atom system is strongly influenced by interactions beyond the electric dipole approximation. A beyond-dipole two-photon Raman-like transition between the 2 s and 2 p (m =±1 ) states is found to completely dominate the underlying laser-matter interaction. It turns out that the large difference in the ionization rates of the 2 s and 2 p (m =±1 ) states is important in this context, effectively leading to a symmetry breaking in the corresponding (beyond-dipole) bound-bound dynamics with the result that a net population transfer between the states occurs throughout the laser-matter interaction period. Varying the x-ray exposure time as well as the laser intensity, we probe the phenomenon as the bound wave packet oscillates between having 2 s and 2 p (m =±1 ) character, eventually giving rise to a Rabi-like oscillation pattern in the populations.

  19. On the multiphoton emission during U.V. and X-ray absorption by atoms in intense laser fields

    International Nuclear Information System (INIS)

    A discussion of the u.v. and x-ray absorption cross section by a hydrogen atom in the presence of an intense i.r. laser field is presented, taking into account the influence of laser field on the electronic states. (Author)

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

    International Nuclear Information System (INIS)

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

  1. The electrostatic potential generated by topological atoms. II. Inverse multipole moments.

    Science.gov (United States)

    Rafat, M; Popelier, P L A

    2005-11-22

    Quantum chemical topology defines finite atoms, whose bounded electron density generates a well-defined electrostatic potential. A multipole expansion based on spherical tensors provides a potential that is formally convergent outside the divergence sphere. Part I of this series [P. L. A. Popelier and M. Rafat, Chem. Phys. Lett.376, 148 (2003)] showed that a continuous multipole expansion expands the convergence region, thereby allowing the electrostatic potential to be evaluated at short range. Here, we propose a different method, based on "inverse" multipole moments, enabling an expansion that converges everywhere. These moments are defined by inverse (i.e., negative) powers of the magnitude of the position vector describing the electron density inside the atom. We illustrate this technique on nitrogen in N(2), oxygen in H(2)O, and oxygen in the phenolic group of the amino acid tyrosine. The proposed method constitutes a considerable advance over the method presented in Part I. PMID:16351236

  2. The Analysis of the Atomic Pair Distribution Function of Pmn-Based Nanopowders by X-Ray Diffraction

    Science.gov (United States)

    Ghasemifard, M.; Khorrami, Gh. H.

    The three-dimensional atomic-scale structure around Mg, Nb, Ti and Zr atoms in a series ferroelectric material such as PMN, PZT, PMN-PZT and PMN-PT has been studied using X-ray diffraction (MoKα), Rietveld refinement and the atomic pair distribution function (PDF) technique. The structure and particle size of the powders was determined by X-ray diffraction and TEM observation. The studies show that the materials are disordered at nanometer length distances. The three-dimensional atomic ordering in PMN-based nanopowders may well be described by a cubic structure of the perovskite type, similar to that occurring in the bulk crystals. At the end, the analyzed data show that the sizes of ZrO6 octahedral are larger than TiO6 octahedral.

  3. Pseudopotential calculations of photoionization of atoms in the x-ray photon energy range and FEL beam monitor development

    International Nuclear Information System (INIS)

    A pseudopotential model for calculation of atomic processes under interaction with hard x-ray photons is applied to calculation of Krypton photoionization cross sections by photons with energy in the 20–25 keV range. These cross sections, as well as the mean charge of the resulting ions calculated using the Monte Carlo simulation scheme, are in good agreement with the other theoretical calculations and with the experiment. The obtained results open the doors for new techniques in the design of gas-monitor detectors to control the intensity, coordinates and energy of x-ray free-electron laser (XFEL) beams in the hard x-ray photon energy range. First, Monte Carlo simulations of a scintillation detector application for gas-monitors have been performed. (letter)

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

    International Nuclear Information System (INIS)

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

  5. Atom-specific look at the surface chemical bond using x-ray emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, A.; Wassdahl, N.; Weinelt, M. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    CO and N{sub 2} adsorbed on the late transition metals have become prototype systems regarding the general understanding of molecular adsorption. It is in general assumed that the bonding of molecules to transition metals can be explained in terms of the interaction of the frontier HOMO and LUMO molecular orbitals with the d-orbitals. In such a picture the other molecular orbitals should remain essentially the same as in the free molecule. For the adsorption of the isoelectronic molecules CO and N{sub 2} this has led to the so called Blyholder model i.e., a synergetic {sigma} (HOMO) donor and {pi} (LUMO) backdonation bond. The authors results at the ALS show that such a picture is oversimplified. The direct observation and identification of the states related to the surface chemical bond is an experimental challenge. For noble and transition metal surfaces, the adsorption induced states overlap with the metal d valence band. Their signature is therefore often obscured by bulk substrate states. This complication has made it difficult for techniques such as photoemission and inverse photoemission to provide reliable information on the energy of chemisorption induced states and has left questions unanswered regarding the validity of the frontier orbitals concept. Here the authors show how x-ray emission spectroscopy (XES), in spite of its inherent bulk sensitivity, can be used to investigate adsorbed molecules. Due to the localization of the core-excited intermediate state, XE spectroscopy allows an atomic specific separation of the valence electronic states. Thus the molecular contributions to the surface measurements make it possible to determine the symmetry of the molecular states, i.e., the separation of {pi} and {sigma} type states. In all the authors can obtain an atomic view of the electronic states involved in the formation of the chemical bond to the surface.

  6. Atomic physics for fusion plasma spectroscopy; a soft x-ray study of molybdenum ions

    International Nuclear Information System (INIS)

    Understanding the radiative patterns of the ions of heavy atoms (Z approx-gt 18) is crucial to fusion experiments. The present thesis applies ab initio, relativistic calculations of atomic data to modeling the emission of molybdenum (Z = 42) ions in magnetically confined fusion plasmas. The models are compared to observations made in the Alcator C-Mod tokamak (Plasma Fusion Center, Massachusetts Institute of Technology), and the Frascati Tokamak Upgrade. Experimental confirmation of these models allows confidence in calculations of the total molybdenum concentration and quantitative estimates of the total power lost from the plasmas due to molybdenum line radiation. Charge states in the plasma core (Mo33+ to Mo29+) emit strong x-ray and XUV spectra which allow benchmarking of models for the spatial distribution of highly stripped molybdenum ions; the models only achieve agreement with observations when the rates of indirect ionization and recombination processes are included in the calculation of the charge state distribution of the central molybdenum ions. The total concentration of molybdenum in the core of the plasma is found, and the total power radiated from the plasma core is computed. Observations of line emission from more highly charged molybdenum ions (Mo36+ to Mo34+) are presented. open-quotes Bulkclose quotes molybdenum charge states (Mo25+ to Mo23+) emit complicated XUV spectra from a position in the plasma near C-Mod's half radius; spatial profiles of these ions' emission are analyzed. Models for the line-emission spectra of adjacent ions (Mo28+ to Mo26+) are offered, and the accuracy and limits of ab initio energy level calculations are discussed. open-quotes Edgeclose quotes charge states (Mo22+ to Mo15) extend to the last closed magnetic flux surface of the C-Mod plasma. The strongest features from these charge states are emitted in a narrow band from ∼70 Angstrom

  7. Precision X-ray spectroscopy of kaonic atoms as a probe of low-energy kaon-nucleus interaction

    CERN Document Server

    Shi, H; Beer, G; Bellotti, G; Berucci, C; Bragadireanu, A M; Bosnar, D; Cargnelli, M; Curceanu, C; Butt, A D; d'Uffizi, A; Fiorini, C; Ghio, F; Guaraldo, C; Hayano, R S; Iliescu, M; Ishiwatari, T; Iwasaki, M; Sandri, P Levi; Marton, J; Okada, S; Pietreanu, D; Piscicchia, K; Vidal, A Romero; Sbardella, E; Scordo, A; Sirghi, D L; Sirghi, F; Tatsuno, H; Doce, O Vazquez; Widmann, E; Zmeskal, J

    2016-01-01

    In the exotic atoms where one atomic $1s$ electron is replaced by a $K^{-}$, the strong interaction between the $K^{-}$ and the nucleus introduces an energy shift and broadening of the low-lying kaonic atomic levels which are determined by only the electromagnetic interaction. By performing X-ray spectroscopy for Z=1,2 kaonic atoms, the SIDDHARTA experiment determined with high precision the shift and width for the $1s$ state of $K^{-}p$ and the $2p$ state of kaonic helium-3 and kaonic helium-4. These results provided unique information of the kaon-nucleus interaction in the low energy limit.

  8. Ultrabright multikilovolt x-ray source: saturated amplification on noble gas transition arrays from hollow atom states

    Science.gov (United States)

    Rhodes, Charles K.; Boyer, Keith

    2004-02-17

    An apparatus and method for the generation of ultrabright multikilovolt x-rays from saturated amplification on noble gas transition arrays from hollow atom states is described. Conditions for x-ray amplification in this spectral region combine the production of cold, high-Z matter, with the direct, selective multiphoton excitation of hollow atoms from clusters using ultraviolet radiation and a nonlinear mode of confined, self-channeled propagation in plasmas. Data obtained is consistent with the presence of saturated amplification on several transition arrays of the hollow atom Xe(L) spectrum (.lambda..about.2.9 .ANG.). An estimate of the peak brightness achieved is .about.10.sup.29 .gamma..multidot.s.sup.-1.multidot.mm.sup.-2.multidot.mr.sup.-2 (0.1% Bandwidth).sup.-1, that is .about.10.sup.5 -fold higher than presently available synchotron technology.

  9. X-ray diffraction analysis of LiCu2O2 crystals with additives of silver atoms

    International Nuclear Information System (INIS)

    Silver-containing LiCu2O2 crystals up to 4 × 8 × 8 mm in size were grown by the crystallization of 80(1-x)CuO · 20xAgNO3 · 20Li2CO3 (0 ≤ x ≤ 0.5) mixture melt. According to the X-ray spectral and Rietveld X-ray diffraction data, the maximum amount of silver incorporated in the LiCu2O2 structure is about 4 at % relative to the copper content. It was established that silver atoms occupy statistically crystallographic positions of lithium atoms. The incorporation of silver atoms is accompanied by a noticeable increase in parameter c of the LiCu2O2 rhombic unit cell, a slight increase in parameter a, and a slight decrease in parameter b

  10. Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances.

    Science.gov (United States)

    Beker, Wiktor; Langner, Karol M; Dyguda-Kazimierowicz, Edyta; Feliks, Mikołaj; Sokalski, W Andrzej

    2013-08-01

    The relative stability of biologically relevant, hydrogen bonded complexes with shortened distances can be assessed at low cost by the electrostatic multipole term alone more successfully than by ab initio methods. These results imply that atomic multipole moments may help improve ligand-receptor ranking predictions, particularly in cases where accurate structural data are not available. PMID:23696072

  11. Present trends and future perspectives for atomic and molecular physics at the new X-ray light sources

    International Nuclear Information System (INIS)

    The major advances in the actual and predicted performances of new light sources (low-emittance storage rings and soft and hard X-ray free-electron lasers) in the last few years have provided a new impulse to the development of atomic and molecular physics, in particular in what concerns electronic structure and dynamics of atoms, molecules, liquids and clusters investigated with photoelectron spectroscopy, resonant inelastic X-ray scattering and ion spectroscopy. We present here a review on the present trends and future perspectives of the field, with special emphasis on the new possibilities offered by the characteristics of the new sources (high brilliance, low emittance, short pulses). Several examples will be provided concerning state-of-the-art present results and future developments.

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

    Science.gov (United States)

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

    2013-11-01

    The disordered structure of commercially available CXV activated carbon produced from finely powdered wood-based carbon has been studied using the wide-angle x-ray scattering technique, molecular dynamics and density functional theory simulations. The x-ray scattering data has been converted to the real space representation in the form of the pair correlation function via the Fourier transform. Geometry optimizations using classical molecular dynamics based on the reactive empirical bond order potential and density functional theory at the B3LYP/6-31g* level have been performed to generate nanoscale models of CXV carbon consistent with the experimental data. The final model of the structure comprises four chain-like and buckled graphitic layers containing a small percentage of four-fold coordinated atoms (sp3 defects) in each layer. The presence of non-hexagonal rings in the atomic arrangement has been also considered.

  13. Trace elements analysis by PIXE (particle induced x-ray excitation) and AAS (atomic absorption spectrometry) from environmental samples

    International Nuclear Information System (INIS)

    The aim of this work is the micro elemental analysis of environmental samples by PIXE (Particle Induced X-ray Excitation) method and AAS (Atomic Absrobtion Spectrometry). The samples were collected from neighborhood of Targoviste city (mulberry, apple, poplar, walnut, prune, maple). The concentration data have been obtain for the elements: S, Cl, K, Ca, Ti, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Br, Sr by PIXE method and Mn, Fe, Cu, Cr, Se, Zn by AAS method. A good correlation b

  14. A Measurement of Atomic X-ray Yields in Exotic Atoms and Implications for an Antideuteron-Based Dark Matter Search

    CERN Document Server

    Aramaki, T; Craig, W W; Fabris, L; Gahbauer, F; Hailey, C J; Koglin, J E; Madden, N; Mori, K; Yu, H T; Ziock, K P

    2013-01-01

    The General AntiParticle Spectrometer (GAPS) is a novel approach for indirect dark matter searches that exploits cosmic antideuterons. GAPS utilizes a distinctive detection method using atomic X-rays and charged particles from the exotic atom as well as the timing, stopping range and dE/dX energy deposit of the incoming particle, which provides excellent antideuteron identification. Prior to the future balloon experiment, an accelerator test was conducted in 2004 and 2005 at KEK, Japan, in order to precisely measure the X-ray yields of antiprotonic exotic atoms formed with different target materials. The X-ray yields of the exotic atoms with Al and S targets were obtained as $\\sim$ 75%, which are higher than were previously assumed in. A simple, but comprehensive cascade model has been developed not only to evaluate the measurement results but also to predict the X-ray yields of the exotic atoms formed with any materials in the GAPS instrument. The cascade model is extendable to any kind of exotic atom (any n...

  15. Resolved atomic lines reveal outflows in two ultraluminous X-ray sources.

    Science.gov (United States)

    Pinto, Ciro; Middleton, Matthew J; Fabian, Andrew C

    2016-05-01

    Ultraluminous X-ray sources are extragalactic, off-nucleus, point sources in galaxies, and have X-ray luminosities in excess of 3 × 10(39) ergs per second. They are thought to be powered by accretion onto a compact object. Possible explanations include accretion onto neutron stars with strong magnetic fields, onto stellar-mass black holes (of up to 20 solar masses) at or in excess of the classical Eddington limit, or onto intermediate-mass black holes (10(3)-10(5) solar masses). The lack of sufficient energy resolution in previous analyses has prevented an unambiguous identification of any emission or absorption lines in the X-ray band, thereby precluding a detailed analysis of the accretion flow. Here we report the presence of X-ray emission lines arising from highly ionized iron, oxygen and neon with a cumulative significance in excess of five standard deviations, together with blueshifted (about 0.2 times light velocity) absorption lines of similar significance, in the high-resolution X-ray spectra of the ultraluminous X-ray sources NGC 1313 X-1 and NGC 5408 X-1. The blueshifted absorption lines must occur in a fast-outflowing gas, whereas the emission lines originate in slow-moving gas around the source. We conclude that the compact object in each source is surrounded by powerful winds with an outflow velocity of about 0.2 times that of light, as predicted by models of accreting supermassive black holes and hyper-accreting stellar-mass black holes. PMID:27120159

  16. Resolved atomic lines reveal outflows in two ultraluminous X-ray sources

    Science.gov (United States)

    Pinto, Ciro; Middleton, Matthew J.; Fabian, Andrew C.

    2016-05-01

    Ultraluminous X-ray sources are extragalactic, off-nucleus, point sources in galaxies, and have X-ray luminosities in excess of 3 × 1039 ergs per second. They are thought to be powered by accretion onto a compact object. Possible explanations include accretion onto neutron stars with strong magnetic fields, onto stellar-mass black holes (of up to 20 solar masses) at or in excess of the classical Eddington limit, or onto intermediate-mass black holes (103-105 solar masses). The lack of sufficient energy resolution in previous analyses has prevented an unambiguous identification of any emission or absorption lines in the X-ray band, thereby precluding a detailed analysis of the accretion flow. Here we report the presence of X-ray emission lines arising from highly ionized iron, oxygen and neon with a cumulative significance in excess of five standard deviations, together with blueshifted (about 0.2 times light velocity) absorption lines of similar significance, in the high-resolution X-ray spectra of the ultraluminous X-ray sources NGC 1313 X-1 and NGC 5408 X-1. The blueshifted absorption lines must occur in a fast-outflowing gas, whereas the emission lines originate in slow-moving gas around the source. We conclude that the compact object in each source is surrounded by powerful winds with an outflow velocity of about 0.2 times that of light, as predicted by models of accreting supermassive black holes and hyper-accreting stellar-mass black holes.

  17. Atomic Rayleigh scattering cross-sections and the associated anomalous dispersion in the X-ray regions

    International Nuclear Information System (INIS)

    Elastic scattering cross-sections for Pd, Ag, Cd, In, Sn, Sb, Pt, Au and Pb are measured at an angle of 90 circle in the X-ray region 5.41≤E≤8.04 keV. These energies fall between the high-energy side of the L- and M-shell absorption edges of the atoms considered. The present atomic region is significant for solid X-rays to assess the contribution of resonance and solid-state environmental effects. Also it is the anomalous scattering region for many of the atoms of the periodic table. Experimental results are compared with theoretical calculations based on form factor formalisms including the anomalous corrections and available recent S-matrix values. Based on the experimental evidence, the present results indicate the influence of solid-state environmental effects, the importance of anomalous corrections nearer to absorption edges, the correctness of revised high-energy limit values, the superiority of S-matrix predictions over form factor values on measured elastic scattering cross-sections in the X-ray regime and also show the resonance behavior around K,L and M absorption edges. (orig.)

  18. L-series X-ray yields of kaonic 3He and 4He atoms in gaseous targets

    International Nuclear Information System (INIS)

    The SIDDHARTA experiment measured X-rays from kaonic helium atoms using, for the first time, gaseous 3He and 4He targets. Clear patterns of the L-series X-rays of kaonic 3He and 4He atoms were observed. By using accurate Monte Carlo simulations, the absolute yields of these X-ray transitions were determined to be Y(3d → 2p) = 25.0-5.8+6.7 % for 3He (0.96 g/l), Y(3d → 2p) = 23.1-4.2+6.0 % for 4He (1.65 g/l), and Y(3d → 2p) = 17.2-9.5+2.6 % for 4He (2.15g/l). In addition, the yields Y (nd → 2p), with n > 3 were also determined. The measured yields provide valuable information for understanding the cascade processes of kaonic helium atoms as a function of the target density. (orig.)

  19. L-series X-ray yields of kaonic 3He and 4He atoms in gaseous targets

    Science.gov (United States)

    Bazzi, M.; Beer, G.; Berucci, C.; Bragadireanu, A. M.; Cargnelli, M.; Curceanu, C.; d'Uffizi, A.; Fiorini, C.; Ghio, F.; Guaraldo, C.; Hayano, R. S.; Iliescu, M.; Ishiwatari, T.; Iwasaki, M.; Sandri, P. Levi; Marton, J.; Okada, S.; Pietreanu, D.; Ponta, T.; Quaglia, R.; Romero Vidal, A.; Sbardella, E.; Scordo, A.; Shi, H.; Sirghi, D. L.; Sirghi, F.; Tatsuno, H.; Vazquez Doce, O.; Wünschek, B.; Widmann, E.; Zmeskal, J.

    2014-05-01

    The SIDDHARTA experiment measured X-rays from kaonic helium atoms using, for the first time, gaseous 3He and 4He targets. Clear patterns of the L-series X-rays of kaonic 3He and 4He atoms were observed. By using accurate Monte Carlo simulations, the absolute yields of these X-ray transitions were determined to be Y(3 d → 2 p) = 25.0{-5.8/+6.7}% for 3He (0.96 g/l), Y(3 d → 2 p) = 23.1{-4.2/+6.0}% for 4He (1.65 g/l), and Y(3 d → 2 p) = 17.2{-9.5/+2.6}% for 4He (2.15g/l). In addition, the yields Y ( nd → 2 p), with n > 3 were also determined. The measured yields provide valuable information for understanding the cascade processes of kaonic helium atoms as a function of the target density.

  20. L-series X-ray yields of kaonic {sup 3}He and {sup 4}He atoms in gaseous targets

    Energy Technology Data Exchange (ETDEWEB)

    Bazzi, M.; Curceanu, C.; D' Uffizi, A.; Guaraldo, C.; Iliescu, M.; Sandri, P.L.; Sbardella, E.; Scordo, A.; Tatsuno, H. [Laboratori Nazionali di Frascati, INFN, Via E. Fermi 40, C.P. 13, Frascati (Italy); Beer, G. [University of Victoria, Department of Physics and Astronomy, STN CNC, P.O. Box 1700, Victoria (Canada); Berucci, C. [Laboratori Nazionali di Frascati, INFN, Via E. Fermi 40, C.P. 13, Frascati (Italy); Stefan-Meyer-Institut fuer subatomare Physik, Wien (Austria); Bragadireanu, A.M.; Pietreanu, D.; Sirghi, D.L.; Sirghi, F. [Laboratori Nazionali di Frascati, INFN, Via E. Fermi 40, C.P. 13, Frascati (Italy); IFIN-HH, Institutul National pentru Fizica si Inginerie Nucleara Horia Hulubei, Magurele (Romania); Cargnelli, M.; Ishiwatari, T.; Marton, J.; Shi, H.; Wuenschek, B.; Widmann, E.; Zmeskal, J. [Stefan-Meyer-Institut fuer subatomare Physik, Wien (Austria); Fiorini, C.; Quaglia, R. [Politecnico di Milano, Dipartimento di Elettronica, Informazione e Bioingegneria, Milano (Italy); INFN, Sezione di Milano, Milano (Italy); Ghio, F. [INFN, Sezione di Roma I (Italy); Instituto Superiore di Sanita, Roma (Italy); Hayano, R.S. [University of Tokyo, Hongo, Bunkyo-ku, Tokyo (Japan); Iwasaki, M.; Okada, S. [RIKEN, Institute of Physical and Chemical Research, 2-1 Hirosawa, Wako, Saitama (Japan); Ponta, T. [IFIN-HH, Institutul National pentru Fizica si Inginerie Nucleara Horia Hulubei, Magurele (Romania); Romero Vidal, A. [Universidade de Santiago de Compostela, Santiago de Compostela (Spain); Vazquez Doce, O. [Laboratori Nazionali di Frascati (Italy); INFN, Frascati (Italy); Technische Universitaet Muenchen, Excellence Cluster Universe, Garching (Germany); Collaboration: The SIDDHARTA Collaboration

    2014-05-15

    The SIDDHARTA experiment measured X-rays from kaonic helium atoms using, for the first time, gaseous {sup 3}He and {sup 4}He targets. Clear patterns of the L-series X-rays of kaonic {sup 3}He and {sup 4}He atoms were observed. By using accurate Monte Carlo simulations, the absolute yields of these X-ray transitions were determined to be Y(3d → 2p) = 25.0{sub -5.8} {sup +6.7} % for {sup 3}He (0.96 g/l), Y(3d → 2p) = 23.1{sub -4.2} {sup +6.0} % for {sup 4}He (1.65 g/l), and Y(3d → 2p) = 17.2{sub -9.5} {sup +2.6} % for {sup 4}He (2.15g/l). In addition, the yields Y (nd → 2p), with n > 3 were also determined. The measured yields provide valuable information for understanding the cascade processes of kaonic helium atoms as a function of the target density. (orig.)

  1. Efficient focusing of 8 keV X-rays with multilayer Fresnel zone plates fabricated by atomic layer deposition and focused ion beam milling

    OpenAIRE

    Mayer, Marcel; Keskinbora, Kahraman; Grévent, Corinne; Szeghalmi, Adriana; Knez, Mato; Weigand, Markus; Snigirev, Anatoly; Snigireva, Irina; Schütz, Gisela

    2013-01-01

    Fresnel zone plates (FZPs) recently showed significant improvement by focusing soft X-rays down to ∼10 nm. In contrast to soft X-rays, generally a very high aspect ratio FZP is needed for efficient focusing of hard X-rays. Therefore, FZPs had limited success in the hard X-ray range owing to difficulties of manufacturing high-aspect-ratio zone plates using conventional techniques. Here, employing a method of fabrication based on atomic layer deposition (ALD) and focused ion beam (FIB) milling,...

  2. X-ray emission from a high-atomic-number z-pinch plasma created from compact wire arrays

    International Nuclear Information System (INIS)

    Thermal and nonthermal x-ray emission from the implosion of compact tungsten wire arrays, driven by 5 MA from the Saturn accelerator, are measured and compared with LLNL Radiation-Hydro-Code (RHC) and SNL Hydro-Code (HC) numerical models. Multiple implosions, due to sequential compressions and expansions of the plasma, are inferred from the measured multiple x-radiation bursts. Timing of the multiple implosions and the thermal x-ray spectra measured between 1 and 10 keV are consistent with the RHC simulations. The magnitude of the nonthermal x-ray emission measured from 10 to 100 keV ranges from 0.02 to 0.08% of the total energy radiated and is correlated with bright-spot emission along the z-axis, as observed in earlier Gamble-11 single exploding-wire experiments. The similarities of the measured nonthermal spectrum and bright-spot emission with those measured at 0.8 MA on Gamble-II suggest a common production mechanism for this process. A model of electron acceleration across magnetic fields in highly-collisional, high-atomic-number plasmas is developed, which shows the existence of a critical electric field, Ec, below which strong nonthermal electron creation (and the associated nonthermal x rays) do not occur. HC simulations show that significant nonthermal electrons are not expected in this experiment (as observed) because the calculated electric fields are at least one to two orders-of-magnitude below Ec. These negative nonthermal results are confirmed by RHC simulations using a nonthermal model based on a Fokker-Plank analysis. Lastly, the lower production efficiency and the larger, more irregular pinch spots formed in this experiment relative to those measured on Gamble II suggest that implosion geometries are not as efficient as single exploding-wire geometries for warm x-ray production

  3. Resolved atomic lines reveal outflows in two ultraluminous X-ray sources

    CERN Document Server

    Pinto, Ciro; Fabian, Andrew C

    2016-01-01

    Ultraluminous X-ray sources are extragalactic, off-nucleus, point sources in galaxies with an X-ray luminosity above 3x10^39 erg/s, thought to be powered by accretion onto a compact object. Possible explanations include accretion onto neutron stars with strong magnetic fields, stellar-mass black holes ( 5 sigma, and blueshifted (~0.2c) absorption lines (5 sigma) in the high-resolution X-ray spectrum of the ultraluminous X-ray source NGC 1313 X-1. In a similar source, NGC 5408 X-1, we also detect emission lines at rest and blueshifted absorption. The blueshifted absorption lines must occur in a fast outflowing gas, whereas the emission lines originate in slow-moving gas around the source. We conclude that the compact object is surrounded by powerful winds with an outflow velocity of about 0.2c as predicted by models of accreting supermassive black holes and hyper-accreting stellar mass black holes.

  4. Enhanced Reflectivity of Soft-X-Ray Multilayer Mirrors by Reduction of Si Atomic Density

    NARCIS (Netherlands)

    Schlatmann, R.; Keppel, A.; Xue, Y.; Verhoeven, J.; van der Wiel, M. J.

    1993-01-01

    We report a significant increase of the reflectivity of a soft x-ray Mo/Si multilayer mirror after low energy hydrogen ion beam bombardment of each of the Si layers after deposition. Cross section transmission electron microscopy pictures indicate no significant qualitative difference in interface r

  5. Analysis of X-ray phase contrast imaging in atomizing sprays

    International Nuclear Information System (INIS)

    Recent studies of spray-related flow fields using synchrotron-based X-ray phase contrast imaging have produced results that are sometimes straightforward to interpret in terms of the fluid structure, but in other cases the images do not reflect generally accepted physics of fluid motion. It has been unclear why some images have the appearance of a normal fluid stream while others depart significantly from expectation. The detailed numerical modeling presented here is meant to explain the images and resolve common questions about the technique. The simulations show that collimated X-ray beams will always contain signatures from every possible encounter, from the input plane to the exit plane, and these signatures generate overlapping phase contrast patterns that can prove at times impossible to interpret. Clouds of moderate- to large-size drops produce a complex, mottled X-ray phase contrast image indicating the presence of the cloud; but it is an image that cannot be interpreted further. Small drops generate something akin to one gray pixel image each, and their size is close to the resolution limit of the instrument, so the diffraction pattern is broadened by the instrument response into something more like a small diffuse blob. Dense clouds of small drops produce a composite image that is a fairly uniform gray mass indicating the presence of a drop cloud that cannot be interpreted further. Moreover, it is not possible to image intact liquid structures behind clouds of drops. Whenever a significant number of drops are present, therefore, X-ray phase contrast images are dominated by unavoidable artifacts of the technique. Sprays, by definition, consist of droplet clouds and this means that internal features in the spray formation region cannot be investigated using X-ray phase contrast imaging. (orig.)

  6. Generation of Attosecond X-ray Pulses Beyond the Atomic Unit of Time Using Laser Induced Microbunching in Electron Beams

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, D.; Huang, Z.; Stupakov, G.; /SLAC

    2009-12-11

    Ever since the discovery of mode-locking, efforts have been devoted to reducing the duration of laser pulses since the ultrashort pulses are critical to explore the dynamics occurred on a ever-shorter timescale. In this paper we describe a scheme that's capable of generating intense attosecond x-ray pulses with duration beyond the atomic unit of time ({approx}24 attoseconds). The scheme combines the echo-enabled harmonic generation technique with the bunch compression which allows one to generate harmonic numbers of a few hundred in a microbunched beam through up-conversion of the frequency of a UV seed laser. A few-cycle intense IR laser is used to generate the required energy chirp in the beam for bunch compression and for selection of an attosecond x-ray pulse. Using a representative realistic set of parameters, we show that 1 nm x-ray pulse with peak power of a few hundred MW and duration as short as 20 attoseconds (FWHM) can be generated from a 200 nm UV seed laser. The proposed scheme may enable the study of electronic dynamics with a resolution beyond the atomic unit of time and may open a new regime of ultrafast sciences.

  7. A high resolution X-ray crystal spectrometer to study electron and heavy-ion impact atomic collisions

    Indian Academy of Sciences (India)

    Ajay Kumar; D Misra; A H Kelkar; U R Kadhane; K V Thulasiram; Lokesh C Tribedi

    2007-06-01

    We have studied fast ion–atom and electron–atom collision processes using a reconditioned high resolution X-ray spectrometer. The X-rays, generated by the collisions, are dispersed by a curved ADP crystal (Johansson geometry) and detected by a gas proportional counter. A self-written LabVIEW based program has been used to give precise and controlled movement to the crystal and for data acquisition. The performance was tested by detecting the K diagram and satellite lines of several elements. The K satellite lines of Al have been studied in collision with 3–12 keV electrons and 40 MeV C4+ ions. In ion collisions as large as four L-vacancies are created simultaneously with the K-vacancy, compared to two satellites in case of the e-impact. In addition, we have measured the X-rays from H-, He- and Li-like Si ions which arise due to the electron loss/capture process in highly charged 80 MeV Si7+ ions in collision with thin carbon foil. Approximate charge state distribution has been obtained using this new technique.

  8. Natural History of Disease in Atomic Bomb Exposed Twins in Hiroshima : Findings of Chest X-Ray and Electrocardiogram

    OpenAIRE

    Satow, Yukio; Ohmae, Kiyokazu; Okamoto, Naomasa; Abe, Tsutomu; Watanabe, Shoji

    1982-01-01

    The subjects of this study are mainly pairs of monozygotic twins, one of whom was exposed to the atomic bomb and the other not exposed, and the natural history of the diseases of these twins was analyzed to find out genetic and environmental factors of the diseases and some biological effect of the atomic bomb exposure or other. In this study, 13 pairs of monozygotic and 5 pairs of dizygotic twins and other 34 cases of non-twins were examined by means of heart and lung X-ray films and electro...

  9. Atomic data and theoretical X-ray spectra of Ge-like through V-like W ions

    International Nuclear Information System (INIS)

    The atomic structure and spectra of ten tungsten ions have been calculated using the Flexible Atomic Code. The calculations yield energy levels, radiative lifetimes, spectral line positions, transition probability rates, and oscillator strengths for the tungsten ions isoelectronic to germanium, W42+, through vanadium, W51+. Collisional–radiative models for high-temperature, low-density plasmas have been implemented to produce line emissivities for X-ray transitions in the 1–4 keV (3–12 Å) spectral interval. The Ge-like through V-like W ions are important in nuclear fusion research where their spectra may provide diagnostic information on magnetically confined plasmas

  10. Atomic data and theoretical X-ray spectra of Ge-like through V-like W ions

    Science.gov (United States)

    Clementson, J.; Beiersdorfer, P.; Brage, T.; Gu, M. F.

    2014-03-01

    The atomic structure and spectra of ten tungsten ions have been calculated using the Flexible Atomic Code. The calculations yield energy levels, radiative lifetimes, spectral line positions, transition probability rates, and oscillator strengths for the tungsten ions isoelectronic to germanium, W42, through vanadium, W51. Collisional-radiative models for high-temperature, low-density plasmas have been implemented to produce line emissivities for X-ray transitions in the 1-4 keV (3-12 Å) spectral interval. The Ge-like through V-like W ions are important in nuclear fusion research where their spectra may provide diagnostic information on magnetically confined plasmas.

  11. Self-referenced coherent diffraction x-ray movie of Angstrom- and femtosecond-scale atomic motion

    CERN Document Server

    Glownia, J M; Cryan, J P; Hartsock, R; Kozina, M; Minitti, M P; Nelson, S; Robinson, J; Sato, T; van Driel, T; Welch, G; Weninger, C; Zhi, D; Bucksbaum, P H

    2016-01-01

    Time-resolved femtosecond x-ray diffraction patterns from laser-excited molecular iodine are used to create a movie of intramolecular motion with time and space resolution of $30~$fs and $0.3$ \\AA . The high spatial fidelity is due to interference between the moving excitation and the static initial charge distribution. This x-ray interference has not been employed to image internal motion in molecules before. The initial state is used as the local oscillator for heterodyne amplification of the excited charge distribution to retrieve real-space movies of atomic motion on \\AA ngstrom and femtosecond scales. Coherent vibrational motion and dispersion, dissociation, and rotational dephasing are all clearly visible in the data, thereby demonstrating the stunning sensitivity of heterodyne methods.

  12. A modular reactor design for in situ synchrotron x-ray investigation of atomic layer deposition processes

    Energy Technology Data Exchange (ETDEWEB)

    Klug, Jeffrey A., E-mail: jklug@anl.gov; Emery, Jonathan D.; Martinson, Alex B. F.; Proslier, Thomas, E-mail: prolier@anl.gov [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Weimer, Matthew S. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616 (United States); Yanguas-Gil, Angel; Elam, Jeffrey W. [Energy Systems Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Seifert, Sönke; Schlepütz, Christian M. [X-ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Hock, Adam S. [Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616 (United States); Chemical Science and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2015-11-15

    Synchrotron characterization techniques provide some of the most powerful tools for the study of film structure and chemistry. The brilliance and tunability of the Advanced Photon Source allow access to scattering and spectroscopic techniques unavailable with in-house laboratory setups and provide the opportunity to probe various atomic layer deposition (ALD) processes in situ starting at the very first deposition cycle. Here, we present the design and implementation of a portable ALD instrument which possesses a modular reactor scheme that enables simple experimental switchover between various beamlines and characterization techniques. As first examples, we present in situ results for (1) X-ray surface scattering and reflectivity measurements of epitaxial ZnO ALD on sapphire, (2) grazing-incidence small angle scattering of MnO nucleation on silicon, and (3) grazing-incidence X-ray absorption spectroscopy of nucleation-regime Er{sub 2}O{sub 3} ALD on amorphous ALD alumina and single crystalline sapphire.

  13. Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study

    Science.gov (United States)

    Guo, Wei; Dmowski, Wojciech; Noh, Ji-Yong; Rack, Philip; Liaw, Peter K.; Egami, Takeshi

    2013-05-01

    By using high-energy synchrotron X-ray and neutron scattering, the local structure of a ternary high-entropy alloy Zr1/3Nb1/3Hf1/3 is characterized by means of pair distribution function (PDF) analysis. Results show that this alloy is a body center cubic (b.c.c.) phase in both bulk sample and in a thin film ~1.5 µm thick. The PDFs obtained from X-ray diffraction and neutron diffraction agree well with each other. The measured PDFs differ from the calculated PDF, particularly in the peak shape of the first two peaks, indicating local lattice distortion due to different atomic sizes in the solid solution.

  14. A modular reactor design for in situ synchrotron X-ray investigation of atomic layer deposition processes

    Energy Technology Data Exchange (ETDEWEB)

    Klug, Jeffrey A.; Weimer, Matthew S.; Emery, Jonathan D.; Yanguas-Gil, Angel; Seifert, Sonke; Schleputz, Christian M.; Martinson, Alex B. F.; Elam, Jeffrey W.; Hock, Adam S.; Proslier, Thomas

    2015-11-01

    Synchrotron characterization techniques provide some of the most powerful tools for the study of film structure and chemistry. The brilliance and tunability of the Advanced Photon Source allow access to scattering and spectroscopic techniques unavailable with in-house laboratory setups and provide the opportunity to probe various atomic layer deposition (ALD) processes in situ starting at the very first deposition cycle. Here, we present the design and implementation of a portable ALD instrument which possesses a modular reactor scheme that enables simple experimental switchover between various beamlines and characterization techniques. As first examples, we present \\textit{in situ} results for 1.) X-ray surface scattering and reflectivity measurements of epitaxial ZnO ALD on sapphire, 2.) grazing-incidence small angle scattering of MnO nucleation on silicon, and 3.) grazing-incidence X-ray absorption spectroscopy of nucleation-regime Er2O3 ALD on amorphous ALD alumina and single crystalline sapphire.

  15. A modular reactor design for in situ synchrotron x-ray investigation of atomic layer deposition processes

    Science.gov (United States)

    Klug, Jeffrey A.; Weimer, Matthew S.; Emery, Jonathan D.; Yanguas-Gil, Angel; Seifert, Sönke; Schlepütz, Christian M.; Martinson, Alex B. F.; Elam, Jeffrey W.; Hock, Adam S.; Proslier, Thomas

    2015-11-01

    Synchrotron characterization techniques provide some of the most powerful tools for the study of film structure and chemistry. The brilliance and tunability of the Advanced Photon Source allow access to scattering and spectroscopic techniques unavailable with in-house laboratory setups and provide the opportunity to probe various atomic layer deposition (ALD) processes in situ starting at the very first deposition cycle. Here, we present the design and implementation of a portable ALD instrument which possesses a modular reactor scheme that enables simple experimental switchover between various beamlines and characterization techniques. As first examples, we present in situ results for (1) X-ray surface scattering and reflectivity measurements of epitaxial ZnO ALD on sapphire, (2) grazing-incidence small angle scattering of MnO nucleation on silicon, and (3) grazing-incidence X-ray absorption spectroscopy of nucleation-regime Er2O3 ALD on amorphous ALD alumina and single crystalline sapphire.

  16. A modular reactor design for in situ synchrotron x-ray investigation of atomic layer deposition processes

    International Nuclear Information System (INIS)

    Synchrotron characterization techniques provide some of the most powerful tools for the study of film structure and chemistry. The brilliance and tunability of the Advanced Photon Source allow access to scattering and spectroscopic techniques unavailable with in-house laboratory setups and provide the opportunity to probe various atomic layer deposition (ALD) processes in situ starting at the very first deposition cycle. Here, we present the design and implementation of a portable ALD instrument which possesses a modular reactor scheme that enables simple experimental switchover between various beamlines and characterization techniques. As first examples, we present in situ results for (1) X-ray surface scattering and reflectivity measurements of epitaxial ZnO ALD on sapphire, (2) grazing-incidence small angle scattering of MnO nucleation on silicon, and (3) grazing-incidence X-ray absorption spectroscopy of nucleation-regime Er2O3 ALD on amorphous ALD alumina and single crystalline sapphire

  17. The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.

    Science.gov (United States)

    Shi, Yue; Xia, Zhen; Zhang, Jiajing; Best, Robert; Wu, Chuanjie; Ponder, Jay W; Ren, Pengyu

    2013-01-01

    Development of the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Simulation) force field for proteins is presented. The current version (AMOEBA-2013) utilizes permanent electrostatic multipole moments through the quadrupole at each atom, and explicitly treats polarization effects in various chemical and physical environments. The atomic multipole electrostatic parameters for each amino acid residue type are derived from high-level gas phase quantum mechanical calculations via a consistent and extensible protocol. Molecular polarizability is modeled via a Thole-style damped interactive induction model based upon distributed atomic polarizabilities. Inter- and intramolecular polarization is treated in a consistent fashion via the Thole model. The intramolecular polarization model ensures transferability of electrostatic parameters among different conformations, as demonstrated by the agreement between QM and AMOEBA electrostatic potentials, and dipole moments of dipeptides. The backbone and side chain torsional parameters were determined by comparing to gas-phase QM (RI-TRIM MP2/CBS) conformational energies of dipeptides and to statistical distributions from the Protein Data Bank. Molecular dynamics simulations are reported for short peptides in explicit water to examine their conformational properties in solution. Overall the calculated conformational free energies and J-coupling constants are consistent with PDB statistics and experimental NMR results, respectively. In addition, the experimental crystal structures of a number of proteins are well maintained during molecular dynamics (MD) simulation. While further calculations are necessary to fully validate the force field, initial results suggest the AMOEBA polarizable multipole force field is able to describe the structure and energetics of peptides and proteins, in both gas-phase and solution environments. PMID:24163642

  18. In situ x-ray diffraction measurements of the capillary fountain jet produced via ultrasonic atomization

    Science.gov (United States)

    Yano, Yohko F.; Douguchi, Junya; Kumagai, Atsushi; Iijima, Takao; Tomida, Yukinobu; Miyamoto, Toshiaki; Matsuura, Kazuo

    2006-11-01

    In situ x-ray diffraction measurements were carried out for investigating the liquid structure in the ultrasonic fountain jet to consider the mechanism of the "ultrasonic ethanol separation" reported by Sato et al. [J. Chem. Phys. 114, 2382 (2001)]. For pure liquids (water and ethanol), it was found that the high frequency ultrasound does not affect the liquid structure microscopically. For the 20mol% ethanol-water mixture, the estimated ethanol mole fraction in the ultrasonic fountain jet by using the position of the main maximum in the x-ray diffraction profile coincided with that in the reservoir. This result suggests that the ethanol separation is not caused by any distorted liquid structure under the ultrasound irradiation and occurs when or after the generation of the liquid droplet mist.

  19. Interplay of inequivalent atomic positions in resonant x-ray diffraction of Fe3BO6

    OpenAIRE

    Beutier, Guillaume; Ovchinnikova, E. N.; Collins, S. P.; Dmitrienko, Vladimir-E.; Lorenzo, José-Emilio; Hodeau, Jean-Louis; Kirfel, A.; Joly, Yves; Antonenko, A.,; Sarkisyan, V.,; Bombardi, A.

    2009-01-01

    'Forbidden' Bragg reflections of iron orthoborate Fe3BO6 were studied theoretically and experimentally in the vicinity of the iron K edge. Their energy spectra are explained as resulting from the interference of x-rays scattered from two inequivalent crystallographic sites occupied by iron ions. This particular structure property gives rise to complex azimuthal dependences of the reflection intensities in the pre-edge region as they result from the interplay of site specific dipole-quadrupole...

  20. X ray Production. Chapter 5

    International Nuclear Information System (INIS)

    The differential absorption of X rays in tissues and organs, owing to their atomic composition, is the basis for the various imaging methods used in diagnostic radiology. The principles in the production of X rays have remained the same since their discovery. However, much refinement has gone into the design of X ray tubes to achieve the performance required for today’s radiological examinations. In this chapter, an outline of the principles of X ray production and a characterization of the radiation output of X ray tubes will be given. The basic processes producing X rays are dealt with in Section 1.4

  1. Projectile X-ray emission in relativistic ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Salem, Shadi Mohammad Ibrahim

    2010-03-16

    This work reports on the study of the projectile X-ray emission in relativistic ion-atom collisions. Excitation of K-shell in He-like uranium ions, electron capture into H-like uranium ions and Simultaneous ionization and excitation of initially He-like uranium ions have been studied using the experimental storage ring at GSI. For the K{sub {alpha}}{sub 1} and K{sub {alpha}}{sub 2} transitions originating from the excitation of the He-like uranium ions, no alignment was observed. In contrast, the Ly{sub {alpha}}{sub 1} radiation from the simultaneous ionization-excitation process of the He-like uranium ions shows a clear alignment. The experimental value leads to the inclusion of a magnetic term in the interaction potential. The capture process of target electrons into the highly-charged heavy ions was studied using H-like uranium ions at an incident energy of 220 MeV/u, impinging on N{sub 2} gas-target. It was shown that, the strongly aligned electrons captured in 2p{sub 3/2} level couple with the available 1s{sub 1/2} electron which shows no initial directional preference. The magnetic sub-state population of the 2p{sub 3/2} electron is redistributed according to the coupling rules to the magnetic sub-states of the relevant two-electron states. This leads to the large anisotropy in the corresponding individual ground state transitions contributing to the K{sub {alpha}}{sub 1} emission. From the K{sub {alpha}}{sub 1}/K{sub {alpha}}{sub 2} ratio, the current results show that the incoherent addition of the E1 and M2 transition components yield to an almost isotropic emission of the total K{sub {alpha}}{sub 1}. In contrast to the radiative electron capture, the experimental results for the K-shell single excitation of He-like uranium ions indicate that only the {sup 1}P{sub 1} level contributes to the K{sub {alpha}}{sub 1} transition. For this case, the anisotropy parameter {beta}{sub 20} was found to be -0.20{+-}0.03. This work also reports on the study of a two

  2. Correlation between Soft X-ray Absorption and Emission Spectra of the Nitrogen Atoms within Imidazolium-Based Ionic Liquids.

    Science.gov (United States)

    Horikawa, Yuka; Tokushima, Takashi; Takahashi, Osamu; Hoke, Hiroshi; Takamuku, Toshiyuki

    2016-08-01

    Soft X-ray absorption spectroscopy (XAS) has been performed on the N K-edge of two imidazolium-based ionic liquids (ILs), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([C2mim][TFSA]) and 1-ethyl-3-methylimidazolium bromide ([C2mim][Br]), to clarify the electronic structures of the ILs. Soft X-ray emission spectroscopy (XES) has also been applied to the ILs by excitation at various X-ray energies according to the XAS spectra. It was possible to fully associate the XAS peaks with the XES peaks. Additionally, both XAS and XES spectra of the ILs were well reproduced by the theoretical spectra for a single-molecule model on [C2mim](+) and [TFSA](-) using density functional theory. The assignments for the XAS and XES peaks of the ILs were accomplished from both experimental and theoretical approaches. The theoretical XAS and XES spectra of [C2mim](+) and [TFSA](-) did not significantly depend on the conformations of the ions. The reproducibility of the theoretical spectra for the single-molecule model suggested that the interactions between the cations and anions are very weak in the ILs, thus scarcely influencing the electronic structures of the nitrogen atoms. PMID:27388151

  3. X-ray diffraction study of atomic structure features of amorphous carbon containing materials of nature and synthetic origin

    International Nuclear Information System (INIS)

    The atomic structure of amorphous carbon-containing materials such as carbon glass, spectroscopically pure carbon, schungite and anthracite is investigated using X ray diffraction analysis and computerized simulation. In computerized simulation of model gratings packing into packets an interlayer distance and a number of layer in a packet varied and a gratings turn is predetermined randomly. The quantity of gratings in a packet is shown to vary between four for anthracite and six for spectroscopically pure coal. The interlayer distance for all amorphous carbonaceous materials is above 3.35 A which is typical for graphite

  4. Ultrafast Science: Using Lasers and X-rays to Reveal the Motion of Atoms and Electrons (LBNL Summer Lecture Series)

    International Nuclear Information System (INIS)

    Summer Lecture Series 2009: The ultrafast motion of atoms and electrons lies at the heart of chemical reactions, advanced materials with exotic properties, and biological processes such as the first event in vision. Bob Schoenlein, Deputy Director for Science at the Advanced Light Source, will discuss how such processes are revealed by using laser pulses spanning a millionth of a billionth of a second, and how a new generation of light sources will bring the penetrating power of x-rays to the world of ultrafast science.

  5. Barrier performance optimization of atomic layer deposited diffusion barriers for organic light emitting diodes using x-ray reflectivity investigations

    International Nuclear Information System (INIS)

    The importance of O3 pulse duration for encapsulation of organic light emitting diodes (OLEDs) with ultra thin inorganic atomic layer deposited Al2O3 layers is demonstrated for deposition temperatures of 50 °C. X-ray reflectivity (XRR) measurements show that O3 pulse durations longer than 15 s produce dense and thin Al2O3 layers. Correspondingly, black spot growth is not observed in OLEDs encapsulated with such layers during 91 days of aging under ambient conditions. This implies that XRR can be used as a tool for process optimization of OLED encapsulation layers leading to devices with long lifetimes

  6. X-ray absorption spectroscopy and atomic force microscopy study of bias-enhanced nucleation of diamond films

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, M.M.; Jimenez, I.; Vazquez, L.; Gomez-Aleixandre, C.; Albella, J.M.; Sanchez, O. [Instituto de Ciencia de Materiales, C.S.I.C., Cantoblanco28049, Madrid (Spain); Terminello, L.J. [Lawrence Livermore National Laboratory, Livermore, California94551 (United States); Himpsel, F.J. [Department of Physics, University of Wisconsin--Madison, Madison, Wisconsin53706 (United States)

    1998-04-01

    The bias-enhanced nucleation of diamond on Si(100) has been studied by x-ray absorption near-edge spectroscopy (XANES) and atomic force microscopy, two techniques well suited to characterize nanometric crystallites. Diamond nuclei of {approximately}15nm are formed after 5 min of bias-enhanced treatment. The number of nuclei and its size increases with the time of application of the bias voltage. A nanocrystalline diamond film is attained after 20 min of bias-enhanced nucleation. At the initial nucleation stages, the Si substrate appears covered with diamond crystallites and graphite, without SiC being detected by XANES. {copyright} {ital 1998 American Institute of Physics.}

  7. A survey on respiratory diseases of atomic bomb survivors using chest X-ray examination

    International Nuclear Information System (INIS)

    From April 1981 through March 1986, 39,363 A-bomb survivors older than 50 years of age underwent chest X-ray examination. The incidence of abnormal findings was higher in men (28 %) than in women (13 %). The most common disease was old pulmonary tuberculosis in both men and women. The incidence of pulmonary fibrosis was remarkably high in survivors exposed directly to A-bomb radiation, when compared with controls. There was no data suggesting the relationship between the incidence of respiratory disease and exposure status such as the distance from ground zero. (Namekawa, K.)

  8. Atomic structure of Mn-rich nanocolumns probed by x-ray absorption spectroscopy

    Science.gov (United States)

    Rovezzi, M.; Devillers, T.; Arras, E.; d'Acapito, F.; Barski, A.; Jamet, M.; Pochet, P.

    2008-06-01

    In this letter, we have used the extended x-ray-absorption fine-structure (EXAFS) technique to investigate the structure of Mn-rich self-organized nanocolumns grown by low temperature molecular beam epitaxy. The EXAFS analysis has shown that Mn-rich nanocolumns exhibit a complex local structure that cannot be described by a simple substitutional model. Additional interatomic distances had to be considered in the EXAFS model which are in excellent agreement with the structure of a Ge-3Mn building block tetrahedron of Ge3Mn5.

  9. Combinatory usage of X-ray and neutron diffraction techniques for the refined structure analysis of polymer crystals: From hydrogen atoms to bonded electron density distribution

    International Nuclear Information System (INIS)

    In order to predict the physical property of polymers, we need to know the atomic coordinates including hydrogen atoms as accurately as possible. However, polymer samples give us limited number of broad X-ray reflections in general. In order to improve this problem, we have made many efforts to collect the X-ray diffraction data as accurate as possible. In this paper, we report the structure analysis including the extraction of hydrogen/deuterium atomic positions for the oriented polyoxymethylene by the combination of X-ray diffraction method with neutron diffraction method. In such a cases of polydiacetylene giant single crystal the bonded electron density distribution was evaluated along the skeletal chain by the so-called X-N method based on the wide-angle X-ray diffraction data and the wide-angle neutron diffraction data.

  10. Time-resolved x-ray absorption spectroscopy: Watching atoms dance

    International Nuclear Information System (INIS)

    The introduction of pump-probe techniques to the field of x-ray absorption spectroscopy (XAS) has allowed the monitoring of both structural and electronic dynamics of disordered systems in the condensed phase with unprecedented accuracy, both in time and in space. We present results on the electronically excited high-spin state structure of an Fe(II) molecular species, [FeII(bpy)3]2+, in aqueous solution, resolving the Fe-N bond distance elongation as 0.2 A. In addition an analysis technique using the reduced χ2 goodness of fit between FEFF EXAFS simulations and the experimental transient absorption signal in energy space has been successfully tested as a function of excited state population and chemical shift, demonstrating its applicability in situations where the fractional excited state population cannot be determined through other measurements. Finally by using a novel ultrafast hard x-ray 'slicing' source the question of how the molecule relaxes after optical excitation has been successfully resolved using femtosecond XANES.

  11. Time-resolved x-ray absorption spectroscopy: Watching atoms dance

    Energy Technology Data Exchange (ETDEWEB)

    Milne, Chris J; Pham, Van-Thai; Veen, Renske M van der; El Nahhas, Amal; Lima, Frederico; Vithanage, Dimali A; Chergui, Majed [Laboratoire de Spectroscopie Ultrarapide, Ecole Polytechnique Federale de Lausanne (Switzerland); Gawelda, Wojciech [Laser Processing Group, Instituto de Optica, CSIC (Spain); Johnson, Steven L; Beaud, Paul; Ingold, Gerhard; Grolimund, Daniel; Borca, Camelia; Kaiser, Maik; Abela, Rafael [Swiss Light Source, Paul Scherrer Institut (Switzerland); Benfatto, Maurizio [Laboratori Nazionali di Frascati, INFN (Italy); Hauser, Andreas [Departement de Chimie Physique, Universite de Geneve (Switzerland); Bressler, Christian, E-mail: majed.chergui@epfl.c, E-mail: chris.milne@psi.c [European XFEL Project Team, Deutsches Elektronen Synchrotron (Germany)

    2009-11-15

    The introduction of pump-probe techniques to the field of x-ray absorption spectroscopy (XAS) has allowed the monitoring of both structural and electronic dynamics of disordered systems in the condensed phase with unprecedented accuracy, both in time and in space. We present results on the electronically excited high-spin state structure of an Fe(II) molecular species, [Fe{sup II}(bpy){sub 3}]{sup 2+}, in aqueous solution, resolving the Fe-N bond distance elongation as 0.2 A. In addition an analysis technique using the reduced {chi}{sup 2} goodness of fit between FEFF EXAFS simulations and the experimental transient absorption signal in energy space has been successfully tested as a function of excited state population and chemical shift, demonstrating its applicability in situations where the fractional excited state population cannot be determined through other measurements. Finally by using a novel ultrafast hard x-ray 'slicing' source the question of how the molecule relaxes after optical excitation has been successfully resolved using femtosecond XANES.

  12. Measurement and simulations of hollow atom X-ray spectra of solid-density relativistic plasma created by high-contrast PW optical laser pulses

    Science.gov (United States)

    Pikuz, S. A.; Faenov, A. Ya.; Colgan, J.; Dance, R. J.; Abdallah, J.; Wagenaars, E.; Booth, N.; Culfa, O.; Evans, R. G.; Gray, R. J.; Kaempfer, T.; Lancaster, K. L.; McKenna, P.; Rossall, A. L.; Skobelev, I. Yu.; Schulze, K. S.; Uschmann, I.; Zhidkov, A. G.; Woolsey, N. C.

    2013-09-01

    K-shell spectra of solid Al excited by petawatt picosecond laser pulses have been investigated at the Vulcan PW facility. Laser pulses of ultrahigh contrast with an energy of 160 J on the target allow studies of interactions between the laser field and solid state matter at 1020 W/cm2. Intense X-ray emission of KK hollow atoms (atoms without n = 1 electrons) from thin aluminum foils is observed from optical laser plasma for the first time. Specifically for 1.5 μm thin foil targets the hollow atom yield dominates the resonance line emission. It is suggested that the hollow atoms are predominantly excited by the impact of X-ray photons generated by radiation friction to fast electron currents in solid-density plasma due to Thomson scattering and bremsstrahlung in the transverse plasma fields. Numerical simulations of Al hollow atom spectra using the ATOMIC code confirm that the impact of keV photons dominates the atom ionization. Our estimates demonstrate that solid-density plasma generated by relativistic optical laser pulses provide the source of a polychromatic keV range X-ray field of 1018 W/cm2 intensity, and allows the study of excited matter in the radiation-dominated regime. High-resolution X-ray spectroscopy of hollow atom radiation is found to be a powerful tool to study the properties of high-energy density plasma created by intense X-ray radiation.

  13. Inhibition of d-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography

    International Nuclear Information System (INIS)

    A joint X-ray/neutron structure of d-xylose isomerase in complex with the inhibitor sorbitol was determined at room temperature at an acidic pH of 5.9. Protonation of the O5 O atom of the sugar was directly observed in the nuclear density maps. Under acidic conditions sorbitol gains a water-mediated interaction with the enzyme active site, which may explain the increased potency of the inhibitor at low pH. d-Xylose isomerase (XI) converts the aldo-sugars xylose and glucose to their keto analogs xylulose and fructose, but is strongly inhibited by the polyols xylitol and sorbitol, especially at acidic pH. In order to understand the atomic details of polyol binding to the XI active site, a 2.0 Å resolution room-temperature joint X-ray/neutron structure of XI in complex with Ni2+ cofactors and sorbitol inhibitor at pH 5.9 and a room-temperature X-ray structure of XI containing Mg2+ ions and xylitol at the physiological pH of 7.7 were obtained. The protonation of oxygen O5 of the inhibitor, which was found to be deprotonated and negatively charged in previous structures of XI complexed with linear glucose and xylulose, was directly observed. The Ni2+ ions occupying the catalytic metal site (M2) were found at two locations, while Mg2+ in M2 is very mobile and has a high B factor. Under acidic conditions sorbitol gains a water-mediated interaction that connects its O1 hydroxyl to Asp257. This contact is not found in structures at basic pH. The new interaction that is formed may improve the binding of the inhibitor, providing an explanation for the increased affinity of the polyols for XI at low pH

  14. Inhibition of d-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography

    Energy Technology Data Exchange (ETDEWEB)

    Kovalevsky, Andrey, E-mail: ayk@lanl.gov [Los Alamos National Laboratory, PO Box 1663, MS M888, Los Alamos, NM 87545 (United States); Hanson, B. Leif [University of Toledo, 2801 West Bancroft Street, Toledo, OH 43606 (United States); Mason, Sax A. [Institut Laue–Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); Forsyth, V. Trevor [Institut Laue–Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); Keele University, Staffordshire (United Kingdom); Fisher, Zoe [Los Alamos National Laboratory, PO Box 1663, MS M888, Los Alamos, NM 87545 (United States); Mustyakimov, Marat [Los Alamos National Laboratory, PO Box 1663, MS M888, Los Alamos, NM 87545 (United States); Oak Ridge National Laboratory, PO Box 2008, MS 6475, Oak Ridge, TN 37831 (United States); Blakeley, Matthew P. [Institut Laue–Langevin, 6 Rue Jules Horowitz, 38042 Grenoble (France); Keen, David A. [Harwell Science and Innovation Campus, Didcot, Oxon OX11 0QX (United Kingdom); Langan, Paul [Oak Ridge National Laboratory, PO Box 2008, MS 6475, Oak Ridge, TN 37831 (United States); Los Alamos National Laboratory, PO Box 1663, MS M888, Los Alamos, NM 87545 (United States)

    2012-09-01

    A joint X-ray/neutron structure of d-xylose isomerase in complex with the inhibitor sorbitol was determined at room temperature at an acidic pH of 5.9. Protonation of the O5 O atom of the sugar was directly observed in the nuclear density maps. Under acidic conditions sorbitol gains a water-mediated interaction with the enzyme active site, which may explain the increased potency of the inhibitor at low pH. d-Xylose isomerase (XI) converts the aldo-sugars xylose and glucose to their keto analogs xylulose and fructose, but is strongly inhibited by the polyols xylitol and sorbitol, especially at acidic pH. In order to understand the atomic details of polyol binding to the XI active site, a 2.0 Å resolution room-temperature joint X-ray/neutron structure of XI in complex with Ni{sup 2+} cofactors and sorbitol inhibitor at pH 5.9 and a room-temperature X-ray structure of XI containing Mg{sup 2+} ions and xylitol at the physiological pH of 7.7 were obtained. The protonation of oxygen O5 of the inhibitor, which was found to be deprotonated and negatively charged in previous structures of XI complexed with linear glucose and xylulose, was directly observed. The Ni{sup 2+} ions occupying the catalytic metal site (M2) were found at two locations, while Mg{sup 2+} in M2 is very mobile and has a high B factor. Under acidic conditions sorbitol gains a water-mediated interaction that connects its O1 hydroxyl to Asp257. This contact is not found in structures at basic pH. The new interaction that is formed may improve the binding of the inhibitor, providing an explanation for the increased affinity of the polyols for XI at low pH.

  15. Center for X-Ray Optics, 1992

    International Nuclear Information System (INIS)

    This report discusses the following topics: Center for X-Ray Optics; Soft X-Ray Imaging wit Zone Plate Lenses; Biological X-Ray microscopy; Extreme Ultraviolet Lithography for Nanoelectronic Pattern Transfer; Multilayer Reflective Optics; EUV/Soft X-ray Reflectometer; Photoemission Microscopy with Reflective Optics; Spectroscopy with Soft X-Rays; Hard X-Ray Microprobe; Coronary Angiography; and Atomic Scattering Factors

  16. Atomic data and theoretical X-ray spectra of Ge-like through V-like W ions

    Energy Technology Data Exchange (ETDEWEB)

    Clementson, J., E-mail: joel.clementson@ipp.mpg.de [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Department of Physics, Lund University, SE-221 00 Lund (Sweden); Beiersdorfer, P. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Brage, T. [Department of Physics, Lund University, SE-221 00 Lund (Sweden); Gu, M.F. [University of California at Berkeley, Berkeley, CA 94720 (United States)

    2014-03-15

    The atomic structure and spectra of ten tungsten ions have been calculated using the Flexible Atomic Code. The calculations yield energy levels, radiative lifetimes, spectral line positions, transition probability rates, and oscillator strengths for the tungsten ions isoelectronic to germanium, W{sup 42+}, through vanadium, W{sup 51+}. Collisional–radiative models for high-temperature, low-density plasmas have been implemented to produce line emissivities for X-ray transitions in the 1–4 keV (3–12 Å) spectral interval. The Ge-like through V-like W ions are important in nuclear fusion research where their spectra may provide diagnostic information on magnetically confined plasmas.

  17. Atomic structure of amorphous PbFe1/2Nb1/2O3: X-ray and neutron diffraction study

    International Nuclear Information System (INIS)

    Atomic structure of amorphous PbFe1/2Nb1/2O3 was studied by the methods of X-ray and neutron diffraction. The average values of Fe-O (Nb-O) and Pb-O interatomic distances in the amorphous material were determined. The X-ray and neutron radial distribution functions were compared, which permitted revealing a number of regularities in the composition short range

  18. X-ray crystallography

    Science.gov (United States)

    2001-01-01

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

  19. Inhomogeneous thermal expansion of metallic glasses in atomic-scale studied by in-situ synchrotron X-ray diffraction

    Science.gov (United States)

    Taghvaei, Amir Hossein; Shakur Shahabi, Hamed; Bednarčik, Jozef; Eckert, Jürgen

    2015-01-01

    Numerous investigations have demonstrated that the elastic strain in metallic glasses subjected to mechanical loading could be inhomogeneous in the atomic-scale and it increases with distance from an average atom and eventually reaches the macroscopic strain at larger inter-atomic distances. We have observed a similar behavior for the thermal strain imposed by heating of Co40Fe22Ta8B30 glassy particles below the glass transition temperature by analysis of the scattering data obtained by in-situ high-energy synchrotron X-ray diffraction (XRD). The results imply that the volumetric thermal strains calculated from the shift in position of the principal diffraction maximum and reduced pair correlation function (PDF) peaks are in good agreement for the length scales beyond 0.6 nm, corresponding to the atoms located over the third near-neighbor shell. However, smaller and even negative volumetric thermal strains have been calculated based on the shifts in the positions of the second and first PDF peaks, respectively. The structural changes of Co40Fe22Ta8B30 glassy particles are accompanied by decreasing the average coordination number of the first near-neighbor shell, which manifests the occurrence of local changes in the short-range order upon heating. It is believed that the detected length-scale dependence of the volumetric thermal strain is correlated with the local atomic rearrangements taking place in the topologically unstable regions of the glass governed by variations in the atomic-level stresses.

  20. Transferable aspherical atom model refinement of protein and DNA structures against ultrahigh-resolution X-ray data.

    Science.gov (United States)

    Malinska, Maura; Dauter, Zbigniew

    2016-06-01

    In contrast to the independent-atom model (IAM), in which all atoms are assumed to be spherical and neutral, the transferable aspherical atom model (TAAM) takes into account the deformed valence charge density resulting from chemical bond formation and the presence of lone electron pairs. Both models can be used to refine small and large molecules, e.g. proteins and nucleic acids, against ultrahigh-resolution X-ray diffraction data. The University at Buffalo theoretical databank of aspherical pseudo-atoms has been used in the refinement of an oligopeptide, of Z-DNA hexamer and dodecamer duplexes, and of bovine trypsin. The application of the TAAM to these data improves the quality of the electron-density maps and the visibility of H atoms. It also lowers the conventional R factors and improves the atomic displacement parameters and the results of the Hirshfeld rigid-bond test. An additional advantage is that the transferred charge density allows the estimation of Coulombic interaction energy and electrostatic potential. PMID:27303797

  1. Unraveling the Solid-Liquid-Vapor Phase Transition Dynamics at the Atomic Level with Ultrafast X-Ray Absorption Near-Edge Spectroscopy

    International Nuclear Information System (INIS)

    X-ray absorption near-edge spectroscopy (XANES) is a powerful probe of electronic and atomic structures in various media, ranging from molecules to condensed matter. We show how ultrafast time resolution opens new possibilities to investigate highly nonequilibrium states of matter including phase transitions. Based on a tabletop laser-plasma ultrafast x-ray source, we have performed a time-resolved (∼3 ps) XANES experiment that reveals the evolution of an aluminum foil at the atomic level, when undergoing ultrafast laser heating and ablation. X-ray absorption spectra highlight an ultrafast transition from the crystalline solid to the disordered liquid followed by a progressive transition of the delocalized valence electronic structure (metal) down to localized atomic orbitals (nonmetal--vapor), as the average distance between atoms increases.

  2. X-ray analysis of changes to the atomic structure around Ni associated with the interdiffusion and mechanical alloying of pure Ni and Mo powders

    OpenAIRE

    Cocco, Giorgio; Enzo, Stefano; N. T. Barrett; Roberts, Kevin J.

    1992-01-01

    We have applied a combination of x-ray diffraction and x-ray-absorption spectroscopy to probe, in a self-consistent way, the bulk and local structural changes, respectively, associated with the mechanical alloying of pure metallic powders of Ni and Mo. From a careful analysis using an analytical atomic-subshell, we show that the Ni (fcc) atoms are totally involved in the alloying reaction with Mo (bcc) atoms taking up substitutional positions in the Ni (fcc) lattice. Prior to the formation of...

  3. X-rays and some applications

    International Nuclear Information System (INIS)

    This book is one of the specialized books issued by the Arab Atomic Energy Agency about the key technologies of interest to Arab researchers . The book contains 10 chapters as follows: the nature of X-ray, methods of production and measurement of X-rays, X-ray and materials, X-ray crystallography, X-ray and chemistry, X-ray and physics, biological effects of X-ray, radiography in the field of medicine and biology, X-ray in the field of industry, other applications in agriculture, imaging artifacts and paintings and geology.

  4. Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state

    Science.gov (United States)

    Szmytkowski, Radosław; Łukasik, Grzegorz

    2016-09-01

    We present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range 1 ⩽ Z ⩽ 137. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities α E L → E L and magnetizabilities (magnetic susceptibilities) χ M L → M L with 1 ⩽ L ⩽ 4 (i.e., the dipole, quadrupole, octupole and hexadecapole ones), the electric-to-magnetic cross-susceptibilities α E L → M(L - 1) with 2 ⩽ L ⩽ 5 and α E L → M(L + 1) with 1 ⩽ L ⩽ 4, the magnetic-to-electric cross-susceptibilities χ M L → E(L - 1) with 2 ⩽ L ⩽ 5 and χ M L → E(L + 1) with 1 ⩽ L ⩽ 4 (it holds that χ M L → E(L ∓ 1) =α E(L ∓ 1) → M L), and the electric-to-toroidal-magnetic cross-susceptibilities α E L → T L with 1 ⩽ L ⩽ 4. Numerical values are computed from general exact analytical formulas, derived by us elsewhere within the framework of the Dirac relativistic quantum mechanics, and involving generalized hypergeometric functions 3F2 of the unit argument.

  5. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

    Science.gov (United States)

    Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.

    2016-01-01

    We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370

  6. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics.

    Science.gov (United States)

    Pyzer-Knapp, Edward O; Thompson, Hugh P G; Day, Graeme M

    2016-08-01

    We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370

  7. Analysis of the injection layer of PTCDA in OLEDs using x-ray photoemission spectroscopy and atomic force microscopy

    Institute of Scientific and Technical Information of China (English)

    Ou Gu-Ping; Song Zhen; Wu You-Yu; Chen Xiao-Qiang; Zhang Fu-Jia

    2006-01-01

    Through the investigation of the sample surface and interface of 3, 4, 9, 10-perylenetetracarboxylic dianhydride(PTCDA)/indium-tin-oxide (ITO) thin films using atomic force microscopy, it has been found that the surface is complanate, the growth is uniform and the defects cover basically the surface of ITO. Furthermore, the number of pinholes is small. The analysis of the sample surface and interface further verifies this result by using x-ray photoemission spectroscopy. At the same time, PTCDA is found to have the ability of restraining the diffusion of chemical constituents from ITO to the hole transport layer, which is beneficial to the improvement of the performance and the useful lifetime of the organic light emitting diodes (OLEDs).

  8. Ultrafast dynamics driven by intense light pulses from atoms to solids, from lasers to intense X-rays

    CERN Document Server

    Gräfe, Stefanie

    2016-01-01

    This book documents the recent vivid developments in the research field of ultrashort intense light pulses for probing and controlling ultrafast dynamics. The recent fascinating results in studying and controlling ultrafast dynamics in ever more complicated systems such as (bio-)molecules and structures of meso- to macroscopic sizes on ever shorter time-scales are presented. The book is written by some of the most eminent experimental and theoretical experts in the field. It covers the new groundbreaking research directions that were opened by the availability of new light sources such as fully controlled intense laser fields with durations down to a single oscillation cycle, short-wavelength laser-driven attosecond pulses and intense X-ray pulses from the upcoming free electron lasers. These light sources allowed the investigation of dynamics in atoms, molecules, clusters, on surfaces and very recently also in nanostructures and solids in new regimes of parameters which, in turn, led to the identification of...

  9. Synchrotron radiation X-ray microfluorescence reveals polarized distribution of atomic elements during differentiation of pluripotent stem cells.

    Directory of Open Access Journals (Sweden)

    Simone C Cardoso

    Full Text Available The mechanisms underlying pluripotency and differentiation in embryonic and reprogrammed stem cells are unclear. In this work, we characterized the pluripotent state towards neural differentiated state through analysis of trace elements distribution using the Synchrotron Radiation X-ray Fluorescence Spectroscopy. Naive and neural-stimulated embryoid bodies (EB derived from embryonic and induced pluripotent stem (ES and iPS cells were irradiated with a spatial resolution of 20 µm to make elemental maps and qualitative chemical analyses. Results show that these embryo-like aggregates exhibit self-organization at the atomic level. Metallic elements content rises and consistent elemental polarization pattern of P and S in both mouse and human pluripotent stem cells were observed, indicating that neural differentiation and elemental polarization are strongly correlated.

  10. Atomic-scale chemical imaging and quantification of metallic alloy structures by energy-dispersive X-ray spectroscopy.

    Science.gov (United States)

    Lu, Ping; Zhou, Lin; Kramer, M J; Smith, David J

    2014-01-01

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L2(1) phase with Ni0.48Co0.52 at A-sites, Al at B(Ι)-sites and Fe0.20Ti0.80 at B(ΙΙ)-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems. PMID:24492747

  11. X-ray diffraction @ elettra synchrotron: atomic insight of your biomedical target

    OpenAIRE

    Bais, Giorgio; et al, ...

    2014-01-01

    Crystallography is an invaluable tool to understand atomic structure. The knowledge at atomic scale of small and large molecules is crucial for many biomedical and biotechnological applications, ranging from drug design and optimization to enzyme functional studies and engineering. The physical properties of the solid state seen in crystals and powders of both drugs and pharmaceutical excipients are of interest because the nature of the crystalline form of a drug substance, due to...

  12. X-ray emission from heavy atomic collisions : couplings of inner shells in superheavy quasimolecules

    OpenAIRE

    Verma, Punita

    2010-01-01

    Overcritical electromagnetic fields with a coupling strength of ZUA greater than or equal to 1/alpha (=137, with alpha being the fine structure constant) can be experienced in superheavy quasimolecules (atomic number ZUA = Z1+Z2) formed transiently in close collisions of two very heavy atomic partners (Z1, Z2) at velocities (vion) smaller compared to the orbital velocity of the innermost electrons of concern (ve-). The inner shell processes in these collisions are governed approximately by th...

  13. X-ray laser

    International Nuclear Information System (INIS)

    X-ray is among the most important research tools today, and has given priceless contributions to all disciplines within the natural sciences. State of the art in this field is called XFEL, X-ray Free Electron Laser, which may be 10 thousand million times stronger than the x-rays at the European Synchrotron Radiation Facility in Grenoble. In addition XFEL has properties that allow the study of processes which previously would have been impossible. Of special interest are depictions on atomic- and molecular level by the use of x-ray holographic methods, and being able to study chemical reactions in nature's own timescale, the femtosecond. Conclusion: The construction of x-ray lasers is a natural development in a scientific field which has an enormous influence on the surrounding society. While the discovery of x-ray was an important breakthrough in itself, new applications appear one after the other: Medical depiction, dissemination, diffraction, DNA and protein structures, synchrotron radiation and tomography. There is reason to believe that XFEL implies a technological leap as big as the synchrotrons some decades ago. As we are now talking about studies of femtosecond and direct depiction of chemical reactions, it is obvious that we are dealing with a revolution to come, with extensive consequences, both scientifically and culturally. (EW)

  14. Ultrafast probing of the x-ray-induced lattice and electron dynamics in graphite at atomic-resolution

    Energy Technology Data Exchange (ETDEWEB)

    Hau-Riege, S

    2010-10-07

    We used LCLS pulses to excite thin-film and bulk graphite with various different microstructures, and probed the ultrafast ion and electron dynamics through Bragg and x-ray Thomson scattering (XRTS). We pioneered XRTS at LCLS, making this technique viable for other users. We demonstrated for the first time that the LCLS can be used to characterize warm-dense-matter through Bragg and x-ray Thomson scattering. The warm-dense-matter conditions were created using the LCLS beam. Representative examples of the results are shown in the Figure above. In our experiment, we utilized simultaneously both Bragg and two Thomson spectrometers. The Bragg measurements as a function of x-ray fluence and pulse length allows us to characterize the onset of atomic motion at 2 keV with the highest resolution to date. The Bragg detector was positioned in back-reflection, providing us access to scattering data with large scattering vectors (nearly 4{pi}/{lambda}). We found a clear difference between the atomic dynamics for 70 and 300 fs pulses, and we are currently in the process of comparing these results to our models. The outcome of this comparison will have important consequences for ultrafast diffractive imaging, for which it is still not clear if atomic resolution can truly be achieved. The backward x-ray Thomson scattering data suggests that the average graphite temperature and ionization was 10 eV and 1.0, respectively, which agrees with our models. In the forward scattering data, we observed an inelastic feature in the Thomson spectrum that our models currently do not reproduce, so there is food for thought. We are in the process of writing these results up. Depending on if we can combine the Bragg and Thomson data or not, we plan to publish them in a single paper (e.g. Nature or Science) or as two separate papers (e.g. two Phys. Rev. Lett.). We will present the first analysis of the results at the APS Plasma Meeting in November 2010. We had a fantastic experience performing our

  15. Sensitivity Analysis Applied to Atomic Data Used for X-ray Spectrum Synthesis

    Science.gov (United States)

    Kallman, T.

    2006-01-01

    A great deal of work has been devoted to the accumulation of accurate quantities describing atomic processes for use in analysis of astrophysical spectra. But in many situations of interest the interpretation of a quantity which is observed, such as a line flux, depends on the results of a modeling- or spectrum synthesis code. The results of such a code depends in turn on many atomic rates or cross sections, and the sensitivity of the observable quantity on the various rates and cross sections may be non-linear and if so cannot easily be derived analytically. This talk describes simple numerical experiments designed to examine some of these issues.

  16. Feasibility guidelines for kaonic-atom experiments with ultra-high-resolution X-ray spectrometry

    CERN Document Server

    Friedman, E

    2013-01-01

    Recent studies of strong interaction effects in kaonic atoms suggest that analysing so-called `lower' and `upper' levels in the same atom could separate one-nucleon absorption from multinucleon processes. The present work examines the feasibility of direct measurements of upper level widths in addition to lower level widths in future experiments, using superconducting microcalorimeter detectors. About ten elements are identified as possible candidates for such experiments, all of medium-weight and heavy nuclei. New experiments focused on achieving good accuracy for widths of such pairs of levels could contribute significantly to our knowledge of the $K^-$-nucleon interaction in the nuclear medium.

  17. Sequential multiphoton multiple ionization of atomic argon and xenon irradiated by x-ray free-electron laser pulses from SACLA

    International Nuclear Information System (INIS)

    We have investigated multiphoton multiple ionization of argon and xenon atoms at 5 keV using a new x-ray free electron laser (XFEL) facility, the SPring-8 Angstrom Compact free electron LAser (SACLA) in Japan. The experimental results are compared with the new theoretical results presented here. The absolute fluence of the XFEL pulse has been determined with the help of the calculations utilizing two-photon processes in the argon atom. The high charge states up to +22 observed for Xe in comparison with the calculations point to the occurrence of sequential L-shell multiphoton absorption and of resonance-enabled x-ray multiple ionization. (paper)

  18. Inhomogeneous thermal expansion of metallic glasses in atomic-scale studied by in-situ synchrotron X-ray diffraction

    International Nuclear Information System (INIS)

    Numerous investigations have demonstrated that the elastic strain in metallic glasses subjected to mechanical loading could be inhomogeneous in the atomic-scale and it increases with distance from an average atom and eventually reaches the macroscopic strain at larger inter-atomic distances. We have observed a similar behavior for the thermal strain imposed by heating of Co40Fe22Ta8B30 glassy particles below the glass transition temperature by analysis of the scattering data obtained by in-situ high-energy synchrotron X-ray diffraction (XRD). The results imply that the volumetric thermal strains calculated from the shift in position of the principal diffraction maximum and reduced pair correlation function (PDF) peaks are in good agreement for the length scales beyond 0.6 nm, corresponding to the atoms located over the third near-neighbor shell. However, smaller and even negative volumetric thermal strains have been calculated based on the shifts in the positions of the second and first PDF peaks, respectively. The structural changes of Co40Fe22Ta8B30 glassy particles are accompanied by decreasing the average coordination number of the first near-neighbor shell, which manifests the occurrence of local changes in the short-range order upon heating. It is believed that the detected length-scale dependence of the volumetric thermal strain is correlated with the local atomic rearrangements taking place in the topologically unstable regions of the glass governed by variations in the atomic-level stresses

  19. Direct methods for the determination of atomic-scale structure of amorphous solids (X-ray, electron, and neutron scattering)

    International Nuclear Information System (INIS)

    The atomic-scale structure of amorphous solids can be determined from the X-ray, electron or neutron scattering pattern. The atomic distribution function rho(r) or the pair correlation function g(r)=rho(r)/rho0, where rho0 is the average atomic density, is related to the interference function or structure factor I(K) by a Fourier transformation. Unfortunately, I(K) is not directly accessible from the scattering experiment, but can be deduced from the scattering pattern after suitable corrections for polarization, absorption, inelastic scattering, multiple scattering, and static approximation, and after normalization to absolute units. The latest developments in the experimental techniques for the determination of the interference function I(K) are presented, and examples of the scattering patterns of metallic glasses are given, which were obtained by the conventional, variable 2theta technique, and by the variable lambda technique. Attempts are discussed to deduce the partial interference functions in binary systems from several experiments, and to determine concentration fluctuations in binary alloys. (Auth.)

  20. Sensitivity Analysis Applied to Atomic Data Used for X-ray Spectrum Synthesis

    Science.gov (United States)

    Kallman, Tim

    2006-01-01

    A great deal of work has been devoted to the accumulation of accurate quantities describing atomic processes for use in analysis of astrophysical spectra. But in many situations of interest the interpretation of a quantity which is observed, such as a line flux, depends on the results of a modeling- or spectrum synthesis code. The results of such a code depends in turn 011 many atomic rates or cross sections, and the sensitivity of the observable quantity on the various rates and cross sections may be non-linear and if so cannot easily be derived analytically. In such cases the most practical approach to understanding the sensitivity of observables to atomic cross sections is to perform numerical experiments, by calculating models with various rates perturbed by random (but known) factors. In addition, it is useful to compare the results of such experiments with some sample observations, in order to focus attention on the rates which are of the greatest relevance to real observations. In this paper I will present some attempts to carry out this program, focussing on two sample datasets taken with the Chandra HETG. I will discuss the sensitivity of synthetic spectra to atomic data affecting ionization balance, temperature, and line opacity or emissivity, and discuss the implications for the ultimate goal of inferring astrophysical parameters.

  1. Atomic Data for X-ray Spectrum Synthesis: Sensitivity Analysis and Consequences for Spectral Fitting

    Science.gov (United States)

    Kallman, Timothy R.

    2006-09-01

    A great deal of work has been devoted to the accumulation of accurate quantities describing atomic processes for use in analysis of astrophysical spectra. But in many situations of interest the interpretation of a quantity which is observed, such as a line flux, depends on the results of a modeling- or spectrum synthesis code. The results of such a code depends in turn on many atomic rates or cross sections, and the sensitivity of the observable quantity on the various rates and cross sections may be non-linear and if so cannot easily be derived analytically. In such cases the most practical approach to understanding the sensitivity of observables to atomic cross sections is to perform numerical experiments, by calculating models with various rates perturbed by random (but known) factors. In addition, it is useful to compare the results of such experiments with some sample observations, in order to focus attention on the rates which are of the greatest relevance to real observations. I will present some attempts to carry out this program, focussing on two sample datasets taken with the Chandra HETG. I will discuss the sensitivity of synthetic spectra to atomic data affecting ionization balance, temperature, and line opacity or emissivity, and discuss the implications for the ultimate goal of inferring astrophysical parameters. In addition, I will discuss the likely effects on the ionization balance and spectrum synthesis due to the adoption of some recent calculations of dielectronic recombination rate coefficients.

  2. X-ray absorption study of the local electronic and atomic structure of the ferrohexacyanide anion Fe(CH)64-

    International Nuclear Information System (INIS)

    The near fine structure of K spectra of nitrogen and carbon atoms and of L2,3 absorption spectra of iron and potassium atoms in a solid-state ferrohexacyanide K4Fe(CN)6 is studied by the method of the quantum yield of the external photoelectric effect with an RSM-500 X-ray spectrometer-monochromator and bremsstrahlung from an X-ray tube with a tungsten cathode. The resonant features of the spectra obtained and and of the FeK spectrum known from the literature are identified within the framework of the extended quasi-molecular approach using a comparative analysis of the absorption NK and CK spectra of the complex Fe(CN)64- anion and free HCN molecule and also general quantum-chemical considerations about the nature of theFe-6(CN) in the complex in order to take into account the effect of this interaction on the formation of a general spectrum of the resonance excited states of the complex. As a result of the analysis performed, all form resonances are identified based on transitions of core electrons to vacant molecular orbitals (MO), the symmetry of these MOs and their energies relative the highest filled MO of the complex are determined, and the region of spatial localization of each resonance is found. It is established that the lowest vacant MO of the complex is mainly formed from the antibonding 2π orbitals of CN- ligands. By treating π and σ resonances strongly localized at ligands as a result of splitting of the 1s → 2p atomic resonance in the absorption K spectra of nitrogen and carbon atoms caused by the anisotropic molecular field of the CN- anion, the interatomic distance d(C-N) = 1.09 Angstrom, which is ambiguously estimated from other experimental methods, is found for the FE(CN)64- complex from the values of splitting ΔE(π-σ) in spectra of HCN and H3CNO2 molecules and this complex. 67 refs., 5 figs., 2 tabs

  3. In situ surface X-ray diffraction studies of the copper-electrolyte interface. Atomic structure and homoepitaxial grwoth

    Energy Technology Data Exchange (ETDEWEB)

    Golks, Frederik

    2011-05-19

    Copper electrodeposition is the predominantly used technique for on-chip wiring in the fabrication of ultra-large scale integrated (ULSI) microchips. In this 'damascene copper electroplating' process, multicomponent electrolytes containing organic additives realize void-free filling of trenches with high aspect ratio ('superconformal deposition'). Despite manifold studies, motivated by the continuous trend to shrink wiring dimensions and thus the demand of optimized plating baths, detailed knowledge on the growth mechanism - in presence and absence of additives - is still lacking. Using a recently developed hanging meniscus X-ray transmission cell, brilliant synchrotron x-rays and a fast, one-dimensional detector system, unique real-time in situ surface X-ray diffraction studies of copper electrodeposition were performed under realistic reaction conditions, approaching rates of technological relevance. Preparatory measurements of the electrochemical dissolution of Au(001) in chloride-containing electrolyte demonstrated the capability of this powerful technique, specifically the possibility to follow atomic-scale deposition or dissolution processes with a time resolution down to five milliseconds. The electrochemical as well as structural characterization of the Cu(001)- and Cu(111)-electrolyte interfaces provided detailed insight into the complex atomic-scale structures in presence of specifically adsorbed chloride on these surfaces. The interface of Cu(001) in chloride-containing electrolyte exhibits a continuous surface phase transition of a disordered Cl adlayer to a c(2 x 2) Cl adlayer with increasing potential. The latter was found to induce a small vertical corrugation of substrate atoms, which can be ascribed to lattice relaxations induced by the presence of coadsorbed water molecules and cations in the outer part of the electrochemical double layer. The study of the specific adsorption of chloride on Cu(111) from acidic aqueous

  4. Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

    Science.gov (United States)

    Nguyen, Hung T.; Pabit, Suzette A.; Meisburger, Steve P.; Pollack, Lois; Case, David A.

    2014-12-01

    A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb+ and Sr2+) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein-Zernike equations, with results from the Kovalenko-Hirata closure being closest to experiment for the cases studied here.

  5. Atomic force microscopy and X-ray photoelectron spectroscopy evaluation of adhesion and nanostructure of thin Cr films

    International Nuclear Information System (INIS)

    Chromium (Cr) thin films were deposited on float glass using electron beam (e-beam) physical vapor deposition and radio frequency (RF) magnetron sputtering techniques. Surface morphology of these Cr films was studied using atomic force microscopy (AFM). The e-beam deposited Cr films consisted of isolated surface mounds while in RF sputtered samples, these mounds combined to form larger islands. Lower surface adhesive properties were observed for e-beam deposited films, as determined from AFM force–distance curves, presumably due to the nanostructural differences. Similar amounts of adsorbed atmospheric carbonaceous contaminants and water vapor were detected on samples deposited using both methods with e-beam deposited samples having additional carbide species, as determined by X-ray photoelectron spectroscopy data. The dominant crystallographic plane in both e-beam deposited and RF sputtered Cr thin films was (110) of body-centered cubic Cr metal structure as determined from X-ray diffraction data. Weak (211) reflection was also observed in RF sputtered samples and was attributed to a different thin Cr film condensation and growth mechanism which resulted in nanostructural differences between films deposited using two different methods. - Highlights: ► Cr thin films were deposited on glass using different vacuum deposition methods. ► Surface morphological, chemical, adhesive and structural properties were studied. ► The e-beam deposited Cr thin films consisted of isolated surface mounds. ► In RF magnetron sputtered samples, surface mounds combined to form larger islands. ► Variations in surface adhesive force were due to nanostructural differences.

  6. Precise X-Ray spectroscopy of the hydrogenlike and heliumlike heavy ions and of the exotic atoms

    International Nuclear Information System (INIS)

    In this thesis, we present four experiments designed to study hydrogenlike and heliumlike heavy ions, or exotic atoms. These experiments have been run at the Gesellschaft fur Schwerionenforchung (GSI) and the Paul Scherrer Institut (PSI). In the first part of this text, we begin with the description of a focusing, curved-crystal spectrometer in transmission geometry, coupled with a microstrip, germanium position-sensitive detector, which diffract X-ray photons in the range 50-100 keV. With this spectrometer, which can be mounted on the GSI accelerator, we will increase, by one order of magnitude, the accuracy on the measurement of the 1s Lamb shift in hydrogenlike uranium ions, in order to test QED in strong coulomb field. Next, we detail an experiment that will soon give a new value of the charged-pion mass with a relative accuracy of 1 ppm. For that, we perform X-ray spectroscopy of pionic nitrogen, at PSI. The experimental set-up is made up of a cyclotron trap, a spherical Bragg-crystal focusing spectrometer, in reflection geometry, and a CCD sensitive-position cooled detector. This set-up allows also test QCD and chiral perturbation theory by measurements of radiative transitions of pionic hydrogen. The main subject of the second part is a lifetime measurement of the metastable 23P0 state in heliumlike gold ions, by Beam Foil Spectroscopy. With this experiment, which provides an important test of relativistic many-body theory, we give, for the first time, an accurate value of the lifetime of this state for an ion with a Z larger than 64, our result is τ(exp) = (22.12 ± 1.21) ps

  7. Feasibility guidelines for kaonic atom experiments with ultra-high-resolution X-ray spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Friedman, E., E-mail: elifried@cc.huji.ac.il [Racah Institute of Physics, The Hebrew University, 91904 Jerusalem (Israel); Okada, S. [RIKEN Nishina Center, RIKEN, Wako 351-0198 (Japan)

    2013-10-03

    Recent studies of strong-interaction effects in kaonic atoms suggest that analysing so-called ‘lower’ and ‘upper’ levels in the same atom could separate one-nucleon absorption from multinucleon processes. The present work examines the feasibility of direct measurements of upper level widths in addition to lower level widths in future experiments, using superconducting microcalorimeter detectors. About ten elements are identified as possible candidates for such experiments, all of medium-weight and heavy nuclei. New experiments focused on achieving good accuracy for widths of such pairs of levels could contribute significantly to our knowledge of the K{sup −}–nucleon interaction in the nuclear medium.

  8. Atomic physics with high-brightness synchrotron x-ray sources

    International Nuclear Information System (INIS)

    A description of atomic physics experiments that we intend to carry out at the National Synchrotron Light Source is given. Emphasis is given to work that investigates the properties of multiply charged ions. The use of a synchrotron storage ring for highly charged heavy ions is proposed as a way to produce high current beams which will make possible experiments to study the photoexcitation and ionization of multiply charged ions for the first time. Experiments along the same lines which are feasible at the proposed Advanced Light Source are considered briefly. 7 refs., 2 figs

  9. Characteristic X-ray emission in close collisions between heavy ions and atoms

    International Nuclear Information System (INIS)

    In this paper an attempt is given to answer the question of how far the inner-shell vacancy production in very heavy ion-atom collisions is influenced by the electronic configuration of the projectile prepared prior to the collision producing the observed vacancy. The variation of this configuration has been induced by changing the primary charge state of the projectile, the target density and thickness or by inverting the collision system. It turns out from the performed analysis of the experimental data that the excitation of even most strongly bound MO's can be easily dependent on these factors which have been ignored until now, especially in discussions of the 1sσ or 2pσ vacancy production at ZUA > 130. Experiments performed for the first time with gaseous targets for such heavy systems show very convincingly the influence of the outer-shell configuration on the vacancy production in inner shells. The analysis of the data has been performed in terms of electronic transitions among MO's transiently formed during the collision. In many cases a satisfactory agreement between theoretical predictions and experiment has been achieved. (orig./HSI)

  10. Efficient focusing of 8 keV X-rays with multilayer Fresnel zone plates fabricated by atomic layer deposition and focused ion beam milling

    International Nuclear Information System (INIS)

    The fabrication and performance of multilayer Al2O3/Ta2O5 Fresnel zone plates in the hard X-ray range and a discussion of possible future developments considering available materials are reported. Fresnel zone plates (FZPs) recently showed significant improvement by focusing soft X-rays down to ∼10 nm. In contrast to soft X-rays, generally a very high aspect ratio FZP is needed for efficient focusing of hard X-rays. Therefore, FZPs had limited success in the hard X-ray range owing to difficulties of manufacturing high-aspect-ratio zone plates using conventional techniques. Here, employing a method of fabrication based on atomic layer deposition (ALD) and focused ion beam (FIB) milling, FZPs with very high aspect ratios were prepared. Such multilayer FZPs with outermost zone widths of 10 and 35 nm and aspect ratios of up to 243 were tested for their focusing properties at 8 keV and shown to focus hard X-rays efficiently. This success was enabled by the outstanding layer quality thanks to ALD. Via the use of FIB for slicing the multilayer structures, desired aspect ratios could be obtained by precisely controlling the thickness. Experimental diffraction efficiencies of multilayer FZPs fabricated via this combination reached up to 15.58% at 8 keV. In addition, scanning transmission X-ray microscopy experiments at 1.5 keV were carried out using one of the multilayer FZPs and resolved a 60 nm feature size. Finally, the prospective of different material combinations with various outermost zone widths at 8 and 17 keV is discussed in the light of the coupled wave theory and the thin-grating approximation. Al2O3/Ir is outlined as a promising future material candidate for extremely high resolution with a theoretical efficiency of more than 20% for as small an outermost zone width as 10 nm at 17 keV

  11. An X-ray absorption spectroscopy investigation of the local atomic structure in Cu-Ni-Si alloy after severe plastic deformation and ageing

    Science.gov (United States)

    Azzeddine, H.; Harfouche, M.; Hennet, L.; Thiaudiere, D.; Kawasaki, M.; Bradai, D.; Langdon, T. G.

    2015-08-01

    The local atomic structure of Cu-Ni-Si alloy after severe plastic deformation (SPD) processing and the decomposition of supersaturated solid solution upon annealing were investigated by means of X-ray absorption spectroscopy. The coordination number and interatomic distances were obtained by analyzing experimental extend X-ray absorption fine structure data collected at the Ni K-edge. Results indicate that the environment of Ni atoms in Cu-Ni-Si alloy is strongly influenced by the deformation process. Moreover, ageing at 973 K affects strongly the atomic structure around the Ni atoms in Cu-Ni-Si deformed by equal channel angular pressing and high pressure torsion. This influence is discussed in terms of changes and decomposition features of the Cu-Ni-Si solid solution.

  12. Microstructure determination of AOT + phenol organogels utilizing small-angle X-ray scattering and atomic force microscopy.

    Science.gov (United States)

    Simmons, B A; Taylor, C E; Landis, F A; John, V T; McPherson, G L; Schwartz, D K; Moore, R

    2001-03-14

    Dry reverse micelles of the anionic twin-tailed surfactant bis(2-ethylhexyl) sulfosuccinate (AOT) dissolved in nonpolar solvents spontaneously form an organogel when p-chlorophenol is added in a 1:1 AOT:phenol molar ratio. The solvents used were benzene, toluene, m-xylene, 2,2,4-trimethylpentane (isooctane), decane, dodecane, tetradecane, hexadecane, and 2,6,10,14-tetramethylpentadecane (TMPD). The proposed microstructure of the gel is based on strands of stacked phenols linked to AOT through hydrogen bonding. Small-angle X-ray scattering (SAXS) spectra of the organogels suggest a characteristic length scale for these phenol-AOT strands that is independent of concentration but dependent on the chemical nature of the nonpolar solvent used. Correlation lengths determined from the SAXS spectra indicate that the strands self-assemble into fibers. Direct visualization of the gel in its native state is accomplished by using tapping mode atomic force microscopy (AFM). It is shown that these organogels consist of fiber bundle assemblies. The SAXS and AFM data reinforce the theory of a molecular architecture consisting of three length scales-AOT/phenolic strands (ca. 2 nm in diameter) that self-assemble into fibers (ca. 10 nm in diameter), which then aggregate into fiber bundles (ca. 20-100 nm in diameter) and form the organogel. PMID:11456891

  13. Membrane surface modification and characterization by X-ray photoelectron spectroscopy, atomic force microscopy and contact angle measurements

    International Nuclear Information System (INIS)

    Surface modifying macromolecules (SMMs) were used to modify the top surface of polymeric membranes. SMMs are oligomeric fluoropolymers synthesized by polyurethane chemistry and tailored with fluorinated end groups. In this study, the surface of polyetherimide (PEI) flat-sheet membranes prepared by the phase inversion method was modified using 2 wt.% of SMM and 15 wt.% PEI concentration in the polymer casting solution. The effect of solvent evaporation time on membrane surface modification was investigated. X-ray photoelectron spectroscopy analysis shows enrichment of fluorine on the modified PEI membrane surfaces and their contact angles were higher than those of the unmodified PEI membrane. Both the surface fluorine content and contact angles of the SMM/PEI blended membrane increased when the solvent evaporation time was increased up to 5 min. The SMM modified and unmodified PEI membranes were characterized by means of tapping mode atomic force microscopy (TM-AFM). The mean pore size, nodule size, pore density, surface porosity and mean roughness of the modified membranes were determined and compared with those of the unmodified membrane

  14. Multielement analysis of Pakistan coal by X-ray fluorescence spectrometry and inductively coupled plasma atomic emission spectrometry

    International Nuclear Information System (INIS)

    Major, minor and trace element concentration levels are determined for 21 tertiary lignites and sub-bituminous coal samples collected from seven major coal field in Pakistan. Samples are collected as channel samples and/or run of mine samples. All samples are analysed by the x-ray fluorescence spectrometry (XRFS) technique whereas samples from Cherat coal field and the Katha-Pale coal field are analysed by the inductively coupled plasma atomic emission spectrometry (ICP-AES). Significant concentrations of toxic elements such as S, Ce, Cd, Cr, Cu, Mn, Ni, P, Pb, U and V are found in these coal samples. Thus, continuous exposure to dust of these coals (by the mine workers and inhabitants of the nearby settlements) and their extensive use of domestic purpose (cooking/heating), or in brick kilns and in combustion chambers of thermal power plants may cause significant environmental pollution problems as well as health problems. Their use in the industrial and energy sectors will further pose engineering/operational problems in items of requirements of preventive measures against corrosion of the combustion units. (author) 8 tabs

  15. Local surrounding of vanadium atoms in CuCr1 - x V x S2: X-ray absorption spectroscopy analysis

    Science.gov (United States)

    Smirnova, Yu. O.; Smolentsev, N. Yu.; Guda, A. A.; Soldatov, M. A.; Kvashnina, K. O.; Glatzel, P.; Korotaev, E. V.; Soldatov, A. V.; Mazalov, L. N.

    2013-03-01

    In the present work local surrounding of vanadium atoms in layered copper-chromium disulfides CuCr1 - x V x S2 is investigated using high-resolution X-ray absorption spectroscopy above vanadium K-edge. Based on experimental and theoretically simulated spectra comparison it is shown that vanadium atoms replace chromium ones even at high concentrations of vanadium and that they are in 3+ oxidation state.

  16. X-ray photoelectron spectroscopy study of pyrolytically coated graphite platforms submitted to simulated electrothermal atomic absorption spectrometry conditions

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz, Frine [Laboratorio de Quimica Analitica, Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado Postal 21827, Caracas 1020-A (Venezuela); Benzo, Zully [Laboratorio de Quimica Analitica, Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado Postal 21827, Caracas 1020-A (Venezuela); Quintal, Manuelita [Laboratorio de Quimica Analitica, Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado Postal 21827, Caracas 1020-A (Venezuela); Garaboto, Angel [Laboratorio de Quimica Analitica, Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado Postal 21827, Caracas 1020-A (Venezuela); Albornoz, Alberto [Laboratorio de Fisicoquimica de Superficies, Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado Postal 21827, Caracas 1020-A (Venezuela); Brito, Joaquin L. [Laboratorio de Fisicoquimica de Superficies, Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado Postal 21827, Caracas 1020-A (Venezuela)]. E-mail: joabrito@ivic.ve

    2006-10-15

    The present work is part of an ongoing project aiming to a better understanding of the mechanisms of atomization on graphite furnace platforms used for electrothermal atomic absorption spectrometry (ETAAS). It reports the study of unused pyrolytic graphite coated platforms of commercial origin, as well as platforms thermally or thermo-chemically treated under simulated ETAAS analysis conditions. X-ray photoelectron spectroscopy (XPS) was employed to study the elements present at the surfaces of the platforms. New, unused platforms showed the presence of molybdenum, of unknown origin, in concentrations up to 1 at.%. Species in two different oxidations states (Mo{sup 6+} and Mo{sup 2+}) were detected by analyzing the Mo 3d spectral region with high resolution XPS. The analysis of the C 1s region demonstrated the presence of several signals, one of these at 283.3 eV related to the presence of Mo carbide. The O 1s region showed also various peaks, including a signal that can be attributed to the presence of MoO{sub 3}. Some carbon and oxygen signals were consistent with the presence of C=O and C-O- (probably C-OH) groups on the platforms surfaces. Upon thermal treatment up to 2900 deg. C, the intensity of the Mo signal decreased, but peaks due to Mo oxides (Mo{sup 6+} and Mo{sup 5+}) and carbide (Mo{sup 2+}) were still apparent. Thermo-chemical treatment with 3 vol.% HCl solutions and heating up to 2900 deg. C resulted in further diminution of the Mo signal, with complete disappearance of Mo carbide species. Depth profiling of unused platforms by Ar{sup +} ion etching at increasing time periods demonstrated that, upon removal of several layers of carbonaceous material, the Mo signal disappears suggesting that this contamination is present only at the surface of the pyrolytic graphite platform.

  17. X-ray photoelectron diffraction for pure and Nb-doped KTaO3: site determination for the Nb atoms

    International Nuclear Information System (INIS)

    We present a set of polar-angle-dependent x-ray photoelectron spectra (XPS) obtained from in situ cleaved single-crystalline pure KTaO3. The variation of the intensity for different angles can be explained by the diffraction of the emitted electrons by the surrounding atoms of the emitter and thus may be used as a 'fingerprint' for the location of emitting impurity atoms. Measurements were carried out on niobium-doped KTaO3. The atomic position of the niobium atoms was deduced from the comparison of the angle-dependent spectra, giving a clear hint that tantalum is replaced by niobium. (author)

  18. X-ray diffraction analysis of LiCu{sub 2}O{sub 2} crystals with additives of silver atoms

    Energy Technology Data Exchange (ETDEWEB)

    Sirotinkin, V. P., E-mail: irotinkin.vladimir@mail.ru; Bush, A. A.; Kamentsev, K. E. [Moscow State Technical University of Radio Engineering, Electronics, and Automation (Russian Federation); Dau, H. S. [People’s Friendship University of Russia (Russian Federation); Yakovlev, K. A. [Moscow State Technical University of Radio Engineering, Electronics, and Automation (Russian Federation); Tishchenko, E. A. [People’s Friendship University of Russia (Russian Federation)

    2015-09-15

    Silver-containing LiCu{sub 2}O{sub 2} crystals up to 4 × 8 × 8 mm in size were grown by the crystallization of 80(1-x)CuO · 20{sub x}AgNO{sub 3} · 20Li{sub 2}CO{sub 3} (0 ≤ x ≤ 0.5) mixture melt. According to the X-ray spectral and Rietveld X-ray diffraction data, the maximum amount of silver incorporated in the LiCu{sub 2}O{sub 2} structure is about 4 at % relative to the copper content. It was established that silver atoms occupy statistically crystallographic positions of lithium atoms. The incorporation of silver atoms is accompanied by a noticeable increase in parameter c of the LiCu{sub 2}O{sub 2} rhombic unit cell, a slight increase in parameter a, and a slight decrease in parameter b.

  19. QED-based Optical Bloch Equations without electric dipole approximation: A model for a two-level atom interacting with a monochromatic X-ray laser beam

    CERN Document Server

    Zhang, Wen-Zhuo

    2012-01-01

    We derive a set of optical Bloch equations (OBEs) directly from the minimal-coupling Hamiltonian density of the bound-state quantum electrodynamics (bound-state QED). Such optical Bloch equations are beyond the former widely-used ones due to that there is no electric dipole approximation (EDA) on the minimal-coupling Hamiltonian density of the bound-state QED. Then our optical Bloch equations can describe a two-level atom interacting with a monochromatic light of arbitrary wavelength, which are suitable to study the spectroscopy and the Rabi oscillations of two-level atoms in X-ray laser beams since that the wavelength of X-ray is close to an atom to make the electric dipole approximation (EDA) invalid.

  20. Davisson-Germer Prize in Atomic or Surface Physics Talk: Soft X-Ray Studies of Surfaces, Interfaces and Thin Films: From Spectroscopy to Ultrafast Nanoscale Movies

    Science.gov (United States)

    Stöhr, Joachim

    2011-03-01

    My talk will review the development of soft x-ray spectroscopy and microscopy and its impact on our understanding of chemical bonding, magnetism and dynamics at surfaces and interfaces. I will first outline important soft x-ray spectroscopy and microscopy techniques that have been developed over the last 30 years and their key strengths such as elemental and chemical specificity, sensitivity to small atomic concentrations, separation of charge and spin properties, spatial resolution down to the nanometer scale, and temporal resolution down to the intrinsic femtosecond timescale of atomic and electronic motions. I will then present scientific breakthroughs based on soft x-ray studies in three selected areas: the nature of molecular bonding and reactivity on metal surfaces, the molecular origin of liquid crystal alignment on surfaces, and the microscopic origin of interface-mediated spin alignments in modern magnetic devices. My talk will also cover the use of soft x-rays for revealing the temporal evolution of electronic structure, addressing the key problem of ``function,'' down to the intrinsic femtosecond time scale of charge and spin configuration changes. As examples I will present the formation and breaking of chemical bonds in surface complexes and the motion of the magnetization in magnetic devices. Work supported by the Office of Basic Energy Science of the US Department of Energy.

  1. Efficient focusing of 8 keV X-rays with multilayer Fresnel zone plates fabricated by atomic layer deposition and focused ion beam milling.

    Science.gov (United States)

    Mayer, Marcel; Keskinbora, Kahraman; Grévent, Corinne; Szeghalmi, Adriana; Knez, Mato; Weigand, Markus; Snigirev, Anatoly; Snigireva, Irina; Schütz, Gisela

    2013-05-01

    Fresnel zone plates (FZPs) recently showed significant improvement by focusing soft X-rays down to ~10 nm. In contrast to soft X-rays, generally a very high aspect ratio FZP is needed for efficient focusing of hard X-rays. Therefore, FZPs had limited success in the hard X-ray range owing to difficulties of manufacturing high-aspect-ratio zone plates using conventional techniques. Here, employing a method of fabrication based on atomic layer deposition (ALD) and focused ion beam (FIB) milling, FZPs with very high aspect ratios were prepared. Such multilayer FZPs with outermost zone widths of 10 and 35 nm and aspect ratios of up to 243 were tested for their focusing properties at 8 keV and shown to focus hard X-rays efficiently. This success was enabled by the outstanding layer quality thanks to ALD. Via the use of FIB for slicing the multilayer structures, desired aspect ratios could be obtained by precisely controlling the thickness. Experimental diffraction efficiencies of multilayer FZPs fabricated via this combination reached up to 15.58% at 8 keV. In addition, scanning transmission X-ray microscopy experiments at 1.5 keV were carried out using one of the multilayer FZPs and resolved a 60 nm feature size. Finally, the prospective of different material combinations with various outermost zone widths at 8 and 17 keV is discussed in the light of the coupled wave theory and the thin-grating approximation. Al2O3/Ir is outlined as a promising future material candidate for extremely high resolution with a theoretical efficiency of more than 20% for as small an outermost zone width as 10 nm at 17 keV. PMID:23592622

  2. X-ray fluorescence holography

    CERN Document Server

    Hayashi, K; Takahashi, Y

    2003-01-01

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

  3. Anomalous x-ray scattering: Relativistic effects in x-ray dispersion analysis

    International Nuclear Information System (INIS)

    Rayleigh scattering by bound electrons is reduced from the free-electron Thomson value at x-ray wavelengths by relativistic effects. To first order this arises from the relativistic increase in mass of the core electrons. The reduction is overestimated by more than a factor of 2 by the commonly used dipole approximation. Inclusion of higher multipole and retardation terms in dispersion analysis resolves reported conflicts between values of the anomalous scattering factor as measured interferometrically and as calculated from attenuation measurements. These considerations further imply that several scattering-factor tabulations in current use for diffraction studies require revision to take relativity fully into account. This correction is particularly significant in regions of anomalous dispersion and at low energies, where the scattering factor is small relative to the atomic number

  4. X-ray emission spectroscopy applied to glycine adsorbed on Cu(110): An atom and symmetry projected view

    Energy Technology Data Exchange (ETDEWEB)

    Hasselstroem, J.; Karis, O.; Weinelt, M. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    When a molecule is adsorbed on a metal surface by chemical bonding new electronic states are formed. For noble and transition metals these adsorption-induced states overlap with the much more intense metal d-valence band, making them difficult to probe by for instance direct photoemission. However, it has recently been shown that X-ray emission spectroscopy (XES) can be applied to adsorbate systems. Since the intermediate state involves a core hole, this technique has the power to project out the partial density of states around each atomic site. Both the excitation and deexcitation processes are in general governed by the dipole selection rules. For oriented system, it is hence possible to obtain a complete separation into 2p{sub x}, 2p{sub y} and 2p{sub z} contributions using angular resolved measurements. The authors have applied XES together with other core level spectroscopies to glycine adsorption on Cu(110). Glycine (NH{sub 2}CH{sub 2}COOH) is the smallest amino acid and very suitable to study by core level spectroscopy since it has several functional groups, all well separated in energy by chemical shifts. Its properties are futhermore of biological interest. In summary, the authors have shown that it is possible to apply XES to more complicated molecular adsorbates. The assignment of different electronic states is however not as straight forward as for simple diatomic molecules. For a complete understanding of the redistribution and formation of new electronic states associated with the surface chemical bond, experimental data must be compared to theoretical calculations.

  5. X-ray diffraction

    International Nuclear Information System (INIS)

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

  6. Portable and autonomous X-ray equipment for in-situ threat materials identification by effective atomic number high-accuracy measurement

    Science.gov (United States)

    Iovea, M.; Neagu, M.; Mateiasi, G.; Duliu, O.

    2011-06-01

    A novel portable and autonomous X-ray dual-energy Radioscopy equipment, developed for bomb squad interventions and NDT applications and capable of in-situ digital radiography imaging with measurement of the effective Atomic number of materials (Zeff), is presented. The system consists of a 2D dual-energy X-ray detector based on a rapidly translated linear array, a portable X-ray source and dedicated software running on a laptop or tablet PC. By measurement of the collected x-ray intensities at two different energy spectra, the system can directly compute the material Zeff value for various organic materials contained in the scanned object and then identify them from a database list. The entire system calibration has been obtained using explosive simulants with known Zeff values, the measurement error of Zeffbeing around +/-3.5 % with respect to the reference values. The excellent image resolution and the ability of the automated threat identification algorithm are presented for experiments with a briefcase and a hand-held baggage having various domestic objects and an explosive simulant inside.

  7. Precision Survey of X-Rays from $\\overline{p}p (\\overline{p}d)$ Atoms Using the Initial LEAR Beam

    CERN Multimedia

    2002-01-01

    The experiment searches for the K and L X-ray series from @*p~(@*d) atoms, then measures their shift and width relative to QED predictions, and investigates their yields as a function of gas density. \\\\ \\\\ The @* are stopped in 1 atmosphere of H2 (D2) gas in a large aluminium flask whose 1 mm wall thickness eliminates externally produced low energy X-rays. The gas is cooled from a remote helium refrigerator and its temperature varied between 30|0K and 300|0K, giving a density range of 10 and large changes in relative line intensities. With 300~mm|2 area and 250~eV resolution FWHM at 5.9~keV, the Si(Li) X-ray detector penetrates the vacuum to come very close to a large beryllium window. Withstanding the large, charged particle flux from @*p annihilations has required special development of the Si(Li) detector. High purity metals are used for flask, window and detector end-housing to reduce background X-ray lines. A NaI ring suppresses the continuum background that comes principally from Compton scattering in t...

  8. Accurate measurement and physical insight: The X-ray extended range technique for fundamental atomic physics, condensed matter research and biological sciences

    International Nuclear Information System (INIS)

    Research in core physics or atomic and condensed matter science is increasingly relevant for diverse fields and are finding application in chemistry, engineering and biological sciences, linking to experimental research at synchrotrons, reactors and specialised facilities. Over recent synchrotron experiments and publications we have developed methods for measuring the absorption coefficient far from the edge and in the XAFS (X-ray absorption fine structure) region in neutral atoms, simple compounds and organometallics reaching accuracies of below 0.02%. This is 50-500 times more accurate than earlier methods, and 50-250 times more accurate than claimed uncertainties in theoretical computations for these systems. The data and methodology are useful for a wide range of applications, including major synchrotron and laboratory techniques relating to fine structure, near-edge analysis and standard crystallography. Experiments are sensitive to theoretical and computational issues, including correlation between convergence of electronic and atomic orbitals and wavefunctions. Hence, particularly in relation to the popular techniques of XAFS and XANES (X-ray absorption near-edge structure), this development calls for strong theoretical involvement but has great applications in solid state structural determination, catalysis and enzyme environments, active centres of biomolecules and organometallics, phase changes and fluorescence investigations and others. We discuss key features of the X-ray extended range technique (XERT) and illustrate applications.

  9. Joint x-ray

    Science.gov (United States)

    X-ray - joint; Arthrography; Arthrogram ... x-ray technologist will help you position the joint to be x-rayed on the table. Once in place, pictures are taken. The joint may be moved into other positions for more ...

  10. Efficient focusing of 8 keV X-rays with multilayer Fresnel zone plates fabricated by atomic layer deposition and focused ion beam milling

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, Marcel; Keskinbora, Kahraman; Grévent, Corinne, E-mail: grevent@is.mpg.de [Max Planck Institute for Intelligent Systems, Heisenbergstrasse 3, D-70569 Stuttgart (Germany); Szeghalmi, Adriana [Friedrich-Schiller-Universität Jena, Albert-Einstein-Strasse 15, D-07745 Jena (Germany); Knez, Mato [CIC nanoGUNE Consolider, Tolosa Hiribidea 76, E-20018 Donostia-San Sebastian (Spain); Basque Foundation for Science, Alameda Urquijo 36-5, E-48011 Bilbao (Spain); Weigand, Markus [Max Planck Institute for Intelligent Systems, Heisenbergstrasse 3, D-70569 Stuttgart (Germany); Snigirev, Anatoly; Snigireva, Irina [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, BP 220, F-38043 Grenoble (France); Schütz, Gisela [Max Planck Institute for Intelligent Systems, Heisenbergstrasse 3, D-70569 Stuttgart (Germany)

    2013-05-01

    The fabrication and performance of multilayer Al{sub 2}O{sub 3}/Ta{sub 2}O{sub 5} Fresnel zone plates in the hard X-ray range and a discussion of possible future developments considering available materials are reported. Fresnel zone plates (FZPs) recently showed significant improvement by focusing soft X-rays down to ∼10 nm. In contrast to soft X-rays, generally a very high aspect ratio FZP is needed for efficient focusing of hard X-rays. Therefore, FZPs had limited success in the hard X-ray range owing to difficulties of manufacturing high-aspect-ratio zone plates using conventional techniques. Here, employing a method of fabrication based on atomic layer deposition (ALD) and focused ion beam (FIB) milling, FZPs with very high aspect ratios were prepared. Such multilayer FZPs with outermost zone widths of 10 and 35 nm and aspect ratios of up to 243 were tested for their focusing properties at 8 keV and shown to focus hard X-rays efficiently. This success was enabled by the outstanding layer quality thanks to ALD. Via the use of FIB for slicing the multilayer structures, desired aspect ratios could be obtained by precisely controlling the thickness. Experimental diffraction efficiencies of multilayer FZPs fabricated via this combination reached up to 15.58% at 8 keV. In addition, scanning transmission X-ray microscopy experiments at 1.5 keV were carried out using one of the multilayer FZPs and resolved a 60 nm feature size. Finally, the prospective of different material combinations with various outermost zone widths at 8 and 17 keV is discussed in the light of the coupled wave theory and the thin-grating approximation. Al{sub 2}O{sub 3}/Ir is outlined as a promising future material candidate for extremely high resolution with a theoretical efficiency of more than 20% for as small an outermost zone width as 10 nm at 17 keV.

  11. Oscillation photography applied to resonant x-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Inami, T [Synchrotron Radiation Research Unit, Japan Atomic Energy Agency, Hyogo 679-5148 (Japan); Toyokawa, H [Japan Synchrotron Radiation Research Institute, Hyogo 679-5198 (Japan); Terada, N; Kitazawa, H, E-mail: inami@spring8.or.j [National Institute for Materials Science, Tsukuba 305-0047 (Japan)

    2009-03-01

    Recently, resonant x-ray diffraction has been used for detecting charge, magnetic and multipole orders. In practice, however, this technique surveys only a small portion of the reciprocal space. In this study, we applied oscillation photography to resonant x-ray diffraction. For a test sample, we explored nearly a whole Brillouin zone and successfully observed resonant peaks. This feasibility study indicates that oscillation photography is useful for expanding observable areas and enhances the capability of resonant x-ray diffraction.

  12. Thermal Diffusion of Si Atoms at the Interface of Mo/Si Bilayers Studied with a Soft X-ray Emission Microscope

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Thermal diffusion of Si atoms at the interface in Mo/Si multilayers was observed with an imaging-type soft-X-ray emission microscope developed by us. It was possible to observe the diffusion with 0.2nm depth resolution in the direction normal to the interface by comparing the emission intensity for exactly the same position. The diffusion coefficient of Si atoms in Mo at 600℃ was roughly estimated to be 6.0×10-17cm2/s.

  13. Empirical and semi-empirical interpolation of L X-ray fluorescence parameters for elements in the atomic range 50≤Z≤92

    International Nuclear Information System (INIS)

    In this study, interpolations (empirical and semi-empirical) of L sub-shell fluorescence yield and L shell Coster–Kronig transition probability values and the measured L X-ray production cross-sections, intensity ratios and L sub-shell fluorescence yield values of elements have been performed in the range of 50≤Z≤92. In this experimental setup, two sources (50 mCi 55Fe and 50 mCi 241Am) were used. L X-rays emitted by samples were counted by an Ultra-LEGe detector with a resolution of 150 eV at 5.9 keV. - Highlights: • This work was performed for the elements having the atomic numbers between 50 and 92. • Experimental L-shell fluorescence parameters were investigated. • New fit values of L subshell fluorescence and Coster–Kronig yield were presented

  14. In Situ Synchrotron Based X-ray Fluorescence and Scattering Measurements During Atomic Layer Deposition: Initial Growth of HfO2 on Si and Ge Substrates

    Energy Technology Data Exchange (ETDEWEB)

    K Devloo-Casier; J Dendooven; K Ludwig; G Lekens; J DHaen; C Detavernier

    2011-12-31

    The initial growth of HfO{sub 2} was studied by means of synchrotron based in situ x-ray fluorescence (XRF) and grazing incidence small angle x-ray scattering (GISAXS). HfO{sub 2} was deposited by atomic layer deposition (ALD) using tetrakis(ethylmethylamino)hafnium and H{sub 2}O on both oxidized and H-terminated Si and Ge surfaces. XRF quantifies the amount of deposited material during each ALD cycle and shows an inhibition period on H-terminated substrates. No inhibition period is observed on oxidized substrates. The evolution of film roughness was monitored using GISAXS. A correlation is found between the inhibition period and the onset of surface roughness.

  15. Very large-scale structures in sintered silica aerogels as evidenced by atomic force microscopy and ultra-small angle X-ray scattering experiments

    CERN Document Server

    Marliere, C; Etienne, P; Woignier, T; Dieudonné, P; Phalippou, J

    2001-01-01

    During the last few years the bulk structure of silica aerogels has been extensively studied mainly by scattering techniques (neutrons, X-rays, light). It has been shown that small silica particles aggregate to constitute a fractal network. Its spatial extension and fractal dimension are strongly dependent on the synthesis conditions (e.g., pH of gelifying solutions). These typical lengths range from 1 to 10 nm. Ultra-small angle X-ray scattering (USAXS) and atomic force microscopy (AFM) experiments have been carried out on aerogels at different steps of densification. The results presented in this paper reveal the existence of a spatial arrangement of the solid part at a very large length scale. The evolution of this very large-scale structure during the densification process has been studied and reveals a contraction of this macro-structure made of aggregates of clusters. (16 refs).

  16. X-ray reflectivity and atomic force microscopy studies of MOCVD grown AlxGa1-xN/GaN superlattice structures*

    Institute of Scientific and Technical Information of China (English)

    Wang Yuanzhang; Li Jinchai; Li Shuping; Chen Hangyang; Liu Dayi; Kang Junyong

    2011-01-01

    The grazing incidence X-ray reflectivity (GIXR) technique and atomic force microscopy (AFM) were exploited to obtain an accurate evaluation of the surfaces and interfaces for metalorganic chemical vapor deposition grown AlxGa1-xN/GaN superlattice structures. The X-ray diffraction results have been combined with reflectivity data to evaluate the layer thickness and Al mole fraction in the AlGaN layer. The presence ora smooth interface is responsible for the observation of intensity oscillation in GIXR, which is well correlated to step flow observation in AFM images of the surface. The structure with a low Al mole fraction (x = 0.25) and thin well width has a rather smooth surface for the Rrms of AFM data value is 0.45 nm.

  17. Mass attenuation coefficient (μ/ρ), effective atomic number (Zeff) and measurement of x-ray energy spectra using based calcium phosphate biomaterials: a comparative study

    International Nuclear Information System (INIS)

    In dentistry, alveolar bone regeneration procedures using based calcium phosphate biomaterials have been shown effective. However,there are not reports in the literature of studies the interaction of low energy radiation in these biomaterials used as attenuator and not being then allowed a comparison between the theoretical values and experimental.The objective of this study was to determine the interaction of radiation parameters of four dental biomaterials - BioOss, Cerasorb M Dental, Straumann Boneceramic and Osteogen for diagnostic radiology qualities. As a material and methods, the composition of the biomaterials was determined by the analytical techniques. The samples with 0.181 cm to 0,297 cm thickness were experimentally used as attenuators for the measurement of the transmitted X-rays spectra in X-ray equipment with 50 to 90 kV range by spectrometric system comprising the Cd Te detector. After this procedure, the mass attenuation coefficient, the effective atomic number were determined and compared between all the specimens analyzed, using the program WinXCOM in the range of 10 to 200 keV. In all strains examined observed that the energy spectrum of x-rays transmitted through the BioOss has the mean energy slightly smaller than the others biomaterials for close thickness. The μ/ρ and Zeff of the biomaterials showed its dependence on photon energy and atomic number of the elements of the material analyzed. It is concluded according to the methodology employed in this study that the measurements of x-ray spectrum, μ/ρ and Zeff using biomaterials as attenuators confirmed that the thickness, density, composition of the samples, the incident photon energy are factors that determine the characteristics of radiation in a tissue or equivalent material. (Author)

  18. Monte Carlo calculation of ion, electron, and photon spectra of xenon atoms in x-ray free-electron laser pulses

    CERN Document Server

    Son, Sang-Kil; 10.1103/PhysRevA.85.063415

    2013-01-01

    When atoms and molecules are irradiated by an x-ray free-electron laser (XFEL), they are highly ionized via a sequence of one-photon ionization and relaxation processes. To describe the ionization dynamics during XFEL pulses, a rate equation model has been employed. Even though this model is straightforward for the case of light atoms, it generates a huge number of coupled rate equations for heavy atoms like xenon, which are not trivial to solve directly. Here, we employ the Monte Carlo method to address this problem and we investigate ionization dynamics of xenon atoms induced by XFEL pulses at a photon energy of 4500 eV. Charge state distributions, photo-/Auger electron spectra, and fluorescence spectra are presented for x-ray fluences of up to $10^{13}$ photons/$\\mu$m$^2$. With the photon energy of 4500 eV, xenon atoms can be ionized up to +44 through multiphoton absorption characterized by sequential one-photon single-electron interactions.

  19. Measurement of diffusion process of iron atoms under high pressure of hydrogen by time-domain analysis of nuclear resonant scattering of X-rays

    International Nuclear Information System (INIS)

    We applied the time-domain analysis of nuclear resonant scattering (NRS) of X-rays for the study of the hydrogen-induced enhancement of atomic diffusion. The time-domain analysis of NRS is a powerful technique for studying diffusion processes on an atomic scale. The NRS measurement combined with high-pressure technique enables the direct measurement of self-diffusion processes under high hydrogen pressures. In this preliminary experiment, self-diffusion in 4 μm thick 57Fe foils at 0.8 GPa was investigated. The samples of the 57Fe were encapsulated with MgO or NaCl. Faster decays caused by diffusion of Fe atoms were observed in the time spectra of NRS at high temperatures. This enhancement of diffusion is believed to be the hydrogen-induced effect. In the present experiment, hydrogen should have been supplied to the samples by reaction with water originally adsorbed on NaCl/MgO powder particles. It was concluded that the diffusion of 57Fe atoms under high pressure can be studied by nuclear resonant scattering of X-rays using a compact cubic-anvil press. The NRS method can also be extended to the study of atomic diffusion in the subsurface region by doping 57Fe layer(s) at known depths.

  20. Influence of the local atomic structure in the X-ray absorption near edge spectroscopy of neptunium oxo ions

    International Nuclear Information System (INIS)

    Experimental L(III) X-ray absorption near edge structure (XANES) spectra of the distorted octahedral neptunium oxo ions NpO2(OH)42- NpO4(OH)23-, and NpO66- are interpreted using relativistic full multiple scattering calculations of the X-ray absorption process. In this series of compounds, the neptunium cation exhibits two different oxidation states, VI and VII, with coordination spheres from di- to tetra oxo for the first two compounds. The comparison between calculated XANES spectra using the feff code and experimental ones shows that the main features in the spectra are determined by the local coordination around the actinide metal center. Furthermore, the projected density of electronic states (DOS) calculated from the XANES simulations using the feff code are compared to calculations using ADF code. They are both discussed in terms of molecular orbitals and qualitative evolution of bonding within this series of compounds. (authors)

  1. Cerium oxide nanoparticles coated by surfactant sodium bis(2-ethylhexyl) sulphosuccinate (AOT): local atomic structures and x-ray absorption spectroscopic studies

    International Nuclear Information System (INIS)

    Cerium oxide nanoparticles coated by sodium bis(2-ethylhexyl) sulphosuccinate (AOT) were prepared by using a microemulsion method. Transmission electron microscopy revealed an average particle size of 2-3 nm. X-ray diffraction showed that the cerium oxide nanoparticles retain the CeF2-type cubic structures like the bulk crystal. The intermediate valence of formally tetravalent compounds had been detected by x-ray-absorption near-edge structure (XANES) spectra of Ce LIII absorption in bulk CeO2 and the cerium oxide nanoparticles. Two well resolved white lines can be assigned to the electron configurations of 4f0L and 4f1L, respectively, where L denotes a ligand hole. At the same time, the cerium oxide nanoparticles also showed the structural features of trivalent compounds, in comparison to the trivalent Ce(NO3)3·6H2O. Four Lorentzian functions and two arctan functions were used to fit the normalized XANES spectra. The extended x-ray-absorption fine-structure (EXAFS) technique was used to probe the local atomic structures around the absorber Ce. The multielectron excitation effect on the EXAFS spectra was eliminated. A core-shell model was used to deduce the near-neighbour structural parameters around cerium. Bulk CeO2 with eight oxygen atoms located at 2.343 A was used as the reference sample to extract the backscattering amplitude and phase shift of the Ce-O bond. One half of the atoms locate at the core part with the CeF2-type cubic structures (eight oxygens at 2.343 A around Ce), the other half of the atoms are amorphous phase located in the shell part (surface of the nanoparticles) with approximately Ce2O3 structural features (averaged seven oxygens at 2.50 A around Ce). (author)

  2. Chest x-ray

    Science.gov (United States)

    Chest radiography; Serial chest x-ray; X-ray - chest ... You stand in front of the x-ray machine. You will be told to hold your breath when the x-ray is taken. Two images are usually taken. You will ...

  3. Local structure and lattice dynamics study of low dimensional materials using atomic pair distribution function and high energy resolution inelastic x-ray scattering

    Science.gov (United States)

    Shi, Chenyang

    Structure and dynamics lie at the heart of the materials science. A detailed knowledge of both subjects would be foundational in understanding the materials' properties and predicting their potential applications. However, the task becomes increasingly dicult as the particle size is reduced to the nanometer scale. For nanostructured materials their laboratory x-ray scattering patterns are overlapped and broadened, making structure determination impossible. Atomic pair distribution function technique based on either synchrotron x-ray or neutron scattering data is known as the tool of choice for probing local structures. However, to solve the "structure problem" in low-dimensional materials with PDF is still challenging. For example for 2D materials of interest in this thesis the crystallographic modeling approach often yields unphysical thermal factors along stacking direction where new chemical intuitions about their actual structures and new modeling methodology/program are needed. Beyond this, lattice dynamical investigations on nanosized particles are extremely dicult. Laboratory tools such as Raman and infra-red only probe phonons at Brillouin zone center. Although in literature there are a great number of theoretical studies of their vibrational properties based on either empirical force elds or density functional theory, various approximations made in theories make the theoretical predictions less reliable. Also, there lacks the direct experiment result to validate the theory against. In this thesis, we studied the structure and dynamics of a wide variety of technologically relevant low-dimensional materials through synchrotron based x-ray PDF and high energy resolution inelastic x-ray scattering (HERIX) techniques. By collecting PDF data and employing advanced modeling program such as DiPy-CMI, we successfully determined the atomic structures of (i) emerging Ti3C2, Nb4C3 MXenes (transition metal carbides and/or nitrides) that are promising for energy storage

  4. Independent-electron analysis of the x-ray spectra from single-electron capture in Ne10 + collisions with He, Ne, and Ar atoms

    Science.gov (United States)

    Leung, Anthony C. K.; Kirchner, Tom

    2015-09-01

    We present a theoretical study on the x-ray spectra from single-electron capture in 4.54 keV/amu Ne10 +-He, -Ne, and -Ar collisions. Single-particle capture probabilities were calculated using the two-center basis generator method within the independent electron model. In this framework we investigated the effects of a time-dependent screening potential that models target response on capture cross sections and x-ray spectra. Excellent agreement is shown with the previously measured relative cross sections and x-ray spectra and calculations based on the classical trajectory Monte Carlo method using the no-response single-particle electron capture probabilities in a multinomial single-electron capture analysis. Our results demonstrate the importance of using this consistent statistical analysis of single-electron capture within the independent electron model; a requirement that a previous calculation for the same collision problem using the two-center atomic-orbital close-coupling method may not have considered.

  5. The relationship between crystal growth and defect structure: a study of potassium hydrogen phthalate using x-ray topography and atomic force microscopy

    International Nuclear Information System (INIS)

    An investigation of the defect structure of crystals of potassium hydrogen phthalate (KAP) and its relationship to the crystallization behaviour has been carried out using x-ray diffraction topography and atomic force microscopy (AFM). Crystals of KAP grown from aqueous solution were found to exhibit very low defect densities in the range 5 to 15 cm-2 and remarkably low levels of strain. The character and distribution of the dominant growth dislocation types were determined using x-ray topography. The most significant features of the dislocation structure were a tendency for certain dislocation types to nucleate in pairs and at growth sector boundaries. X-ray topography revealed sectorial variations in solvent inclusions and the complementary use of AFM has shown the relationship of this to growth spiral anisotropy on the (010) face of KAP crystals. Changes in KAP crystal morphology have been observed which result from extreme variations in dislocation density, leading to either spiral growth or, in the case of dislocation-free growth sectors, a two-dimensional nucleation mechanism. The bending of dislocations from one growth sector to another and the tendency of dislocations in this material to nucleate in pairs are discussed in the context of size-dependent crystal growth rates. (author)

  6. Comets: mechanisms of x-ray activity

    Science.gov (United States)

    Ibadov, Subhon

    2016-07-01

    Basic mechanisms of X-ray activity of comets are considered, including D-D mechanism corresponding to generation of X-rays due to production of hot short-living plasma clumps at high-velocity collisions between cometary and interplanetary dust particles as well as M-M one corresponding to production of X-rays due to recombination of multicharge ions of solar wind plasma via charge exchange process at their collisions with molecules/atoms of the cometary atmospheres. Peculiarities of the variation of the comet X-ray spectrum and X-ray luminosity with variation of its heliocentric distance are revealed.

  7. Nondestructive characterization of municipal-solid-waste-contaminated surface soil by energy-dispersive X-ray fluorescence and low-Z (atomic number) particle electron probe X-ray microanalysis.

    Science.gov (United States)

    Gupta, Dhrubajyoti; Ghosh, Rita; Mitra, Ajoy K; Roy, Subinit; Sarkar, Manoranjan; Chowdhury, Subhajit; Bhowmik, Asit; Mukhopadhyay, Ujjal; Maskey, Shila; Ro, Chul-Un

    2011-11-01

    The long-term environmental impact of municipal solid waste (MSW) landfilling is still under investigation due to the lack of detailed characterization studies. A MSW landfill site, popularly known as Dhapa, in the eastern fringe of the metropolis of Kolkata, India, is the subject of present study. A vast area of Dhapa, adjoining the current core MSW dump site and evolving from the raw MSW dumping in the past, is presently used for the cultivation of vegetables. The inorganic chemical characteristics of the MSW-contaminated Dhapa surface soil (covering a 2-km stretch of the area) along with a natural composite (geogenic) soil sample (from a small countryside farm), for comparison, were investigated using two complementary nondestructive analytical techniques, energy-dispersive X-ray fluorescence (EDXRF) for bulk analysis and low-Z (atomic number) particle electron probe X-ray microanalysis (low-Z particle EPMA) for single-particle analysis. The bulk concentrations of K, Rb, and Zr remain almost unchanged in all the soil samples. The Dhapa soil is found to be polluted with heavy metals such as Cu, Zn, and Pb (highly elevated) and Ti, Cr, Mn, Fe, Ni, and Sr (moderately elevated), compared to the natural countryside soil. These high bulk concentration levels of heavy metals were compared with the Ecological Soil Screening Levels for these elements (U.S. Environment Protection Agency) to assess the potential risk on the immediate biotic environment. Low-Z particle EPMA results showed that the aluminosilicate-containing particles were the most abundant, followed by SiO2, CaCO3-containing, and carbonaceous particles in the Dhapa samples, whereas in the countryside sample only aluminosilicate-containing and SiO2 particles were observed. The mineral particles encountered in the countryside sample are solely of geogenic origin, whereas those from the Dhapa samples seem to have evolved from a mixture of raw dumped MSW, urban dust, and other contributing factors such as wind

  8. Anomalous elastic scattering of linearly polarized X-ray radiation by multicharged atomic ions in the range of the ionization threshold of the 1s-shell

    Energy Technology Data Exchange (ETDEWEB)

    Hopersky, A.N. E-mail: phys@rgups.ru; Novikov, S.A.; Chuvenkov, V.V

    2002-04-01

    The absolute values and shape of differential cross-section of the process of the anomalous elastic scattering for non-zero angle are investigated within non-relativistic approximation for linearly polarized X-ray radiation scattered by multicharged atomic ions Ne{sup 6+} in the range of the ionization threshold of 1s-shell. The many-particle effects of radial rearrangement of electron shells in the field of an inner 1s-vacancy and the effect of vacancy stabilization are taken into account. The results of the work are predictions.

  9. Study of the atomic ordering in the alloys Ni-Ir using diffuse X-ray scattering and pseudopotentials

    International Nuclear Information System (INIS)

    Experiments were performed on the Ni-Ir alloys to measure the diffuse X-ray scattering intensity after annealing from high temperatures. It was established that the short-range order exists in these alloys when the samples are quenched from 12000C and 14000C. The ordering potentials for various concentrations of Ir in Ni were calculated using the pseudopotentials of Animalu. The method of incorporating the d electrons in the dielectric screening function was proposed. It was shown that the ordering potential is severely affected by the new type of screening. (author)

  10. Magnetic states of Mn and Co atoms at Co2MnGe/MgO interfaces seen via soft x-ray magnetic circular dichroism

    Science.gov (United States)

    Asakura, D.; Koide, T.; Yamamoto, S.; Tsuchiya, K.; Shioya, T.; Amemiya, K.; Singh, V. R.; Kataoka, T.; Yamazaki, Y.; Sakamoto, Y.; Fujimori, A.; Taira, T.; Yamamoto, M.

    2010-11-01

    The magnetic states of Mn and Co atoms in Co-rich Co2MnGe Heusler alloy thin films facing an MgO barrier were studied by means of soft x-ray magnetic circular dichroism (XMCD). In particular, the Co2MnGe film-thickness dependence of the Mn and Co magnetic moments was investigated. With a decrease in the Co2MnGe film thickness to 1-2 monolayers (MLs), the spin magnetic moment of Mn decreased and the MnL2,3 -edge x-ray absorption spectra (XAS) showed a Mn2+ -like multiplet structure in MnO, in contrast to samples thicker than 4 ML, indicating that the Mn atoms of the 1 and 2 ML samples were oxidized. The Co spin magnetic moment increased slightly with decreasing thickness. A Co2+ -like multiplet structure in CoO was not observed in all the CoL2,3 -edge XAS and XMCD, indicating that, even in the ultrathin samples, the Co atoms were not oxidized, and were more strongly spin polarized than those in the thicker samples. Co spin magnetic moments of 1.40-1.77μB larger than the theoretical value for ideal stoichiometric Co2MnGe (˜1μB) and the Co-rich film composition imply the presence of Co antisites that would lower the spin polarization.

  11. X-Ray photoelectron diffraction and photoelectron holography as methods for investigating the local atomic structure of the surface of solids

    International Nuclear Information System (INIS)

    The state-of-the-art theory and experimental applications of X-ray photoelectron diffraction (XPD) and photoelectron holography (PH) are discussed. These methods are rapidly progressing and serve to examine the surface atomic structure of solids, including nanostructures formed on surfaces during adsorption of gases, epitaxial film growth, etc. The depth of analysis by these methods is several nanometres, which makes it possible to characterize the positions of atoms localized both on and beneath the surface. A remarkable feature of the XPD and PH methods is their sensitivity to the type of examined atoms and, in the case of high energy resolution, to the particular chemical form of the element under study. The data on experimental applications of XPD and PH to studies of various surface structures are analyzed and generalized. The bibliography includes 121 references

  12. Investigation of Ge-Si Atomic Interdiffusion in Ge Nano-dots Multilayer Structure by Double Crystal X-ray Diffraction

    Institute of Scientific and Technical Information of China (English)

    Wenhua SHI; Lei ZHAO; Liping LUO; Qiming WANG

    2007-01-01

    The fluctuations of the strained layer in a superlattice or quantum well can broaden the width of satellite peaks in double crystal X-ray diffraction (DCXRD) pattern. It is found that the width of the 0th peak is directly proportional to the fluctuation of the strained layer if the other related facts are ignored. By this method, the Ge-Si atomic interdiffusion in Ge nano-dots and wetting layers has been investigated by DCXRD. It is found that thermal annealing can activate Ge-Si atomic interdiffusion and the interdiffusion in the nano-dots area is much stronger than that in the wetting layer area. Therefore the fluctuation of the Ge layer decreases and the distribution of Ge atoms becomes homogeneous in the horizontal Ge (GeSi actually) layer, which make the width of the 0th peak narrow after annealing.

  13. Influence of the local atomic structure in the X-ray absorption near edge spectroscopy of neptunium oxo ions

    Energy Technology Data Exchange (ETDEWEB)

    Lozano, J.M.; Den Auwer, Ch.; Fillaux, C.; Guilaumont, D. [CEA Marcoule, DEN, DRCP, SCPS, F-30207 Bagnols Sur, (France); Lozano, J.M.; Mustre de Leon, J. [Cinvestav Merida, Dept Fis Aplicada, Merida 97310, Yuc, (Mexico); Clark, D.L. [Los Alamos Natl Lab, GT Seaborg Inst Transactinium Sci, Los Alamos, NM 87544 (United States); Conradson, S.D. [Los Alamos Natl Lab, Div Mat Sci and Technol, Los Alamos, NM 87544 (United States); Keogh, D.W.; Palmer, Ph. [Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 (United States); Simoni, E. [Univ Paris 11, IPN Orsay, F-91405 Orsay, (France)

    2009-07-01

    Experimental L(III) X-ray absorption near edge structure (XANES) spectra of the distorted octahedral neptunium oxo ions NpO{sub 2}(OH){sub 4}{sup 2-} NpO{sub 4}(OH){sub 2}{sup 3-}, and NpO{sub 6}{sup 6-} are interpreted using relativistic full multiple scattering calculations of the X-ray absorption process. In this series of compounds, the neptunium cation exhibits two different oxidation states, VI and VII, with coordination spheres from di- to tetra oxo for the first two compounds. The comparison between calculated XANES spectra using the feff code and experimental ones shows that the main features in the spectra are determined by the local coordination around the actinide metal center. Furthermore, the projected density of electronic states (DOS) calculated from the XANES simulations using the feff code are compared to calculations using ADF code. They are both discussed in terms of molecular orbitals and qualitative evolution of bonding within this series of compounds. (authors)

  14. Thoracic spine x-ray

    Science.gov (United States)

    Vertebral radiography; X-ray - spine; Thoracic x-ray; Spine x-ray; Thoracic spine films; Back films ... care provider's office. You will lie on the x-ray table in different positions. If the x-ray ...

  15. mJ mixing and multipole relaxation in 6 2P rubidium atoms induced by He, Ne, and Ar collisions

    International Nuclear Information System (INIS)

    Rubidium vapor, contained together with a buffer gas in a quartz cell located in a 4.75-T magnetic field, was irradiated with light from a pulsed dye laser producing selective excitation of each 6 2P Zeeman substate in turn. Collisions of the excited and polarized atoms with the ground-state He, Ne, or Ar atoms and the resulting Zeeman mixing produced a population of the whole Zeeman manifold and resulted in the emission of a Zeeman fluorescence spectrum that was resolved with a scanning Fabry-Perot interferometer and recorded with a photomultiplier and a multichannel scaler. Measurements of the relative intensities of the fluorescence components in relation to the buffer-gas pressures yielded the absolute (thermally averaged) cross sections for Zeeman mixing and cross sections for relaxation of the atomic multipole moments for collisions with He, Ne, and Ar

  16. X-ray scattering of calcite thin films deposited by atomic layer deposition: Studies in air and in calcite saturated water solution

    International Nuclear Information System (INIS)

    Carbonates are one of the most abundant groups of minerals in earth systems and are important in many geological settings and industrial processes. Calcite (CaCO3) thin films produced by atomic layer deposition offer a method to evaluate the surficial properties of carbonates as well as interactions at the carbonate–fluid interface. Using synchrotron X-ray reflectivity and X-ray diffraction, these films are observed to be porous, polycrystalline, and have crystallites oriented with the major (104) calcite cleavage plane parallel to the surface of the z-cut single crystal quartz substrate. An Al2O3 buffer layer, present between quartz and the calcite film, does not affect the as-deposited film, but does influence how the films reorganize in contact with fluid. Without a buffer layer, calcite reorients its crystallites to have populations of (006) and (030) parallel to the substrate, while those with an Al2O3 buffer layer become more amorphous. Amorphous films may represent an analog to amorphous calcium carbonate and provide insights into that material's thermophysical behavior. Due to a higher percentage of pore spaces available for fluid infiltration, films deposited at higher temperature make the calcite thin films more susceptible to amorphization. These films are chemically similar, but structurally dissimilar to bulk natural calcite. Nevertheless, they can be a complementary system to traditional single crystal X-ray surface scattering studies on carbonates, particularly for important but less common minerals, to evaluate mineral–fluid interfacial interactions. - Highlights: • Atomic layer deposition (ALD) used to produce calcite films. • Calcite film orientation and crystallinity depend on ALD parameters. • ALD calcite films can be both crystalline and amorphous. • Interaction of water with films can re-orient or amorphize the films. • ALD calcite films may be useful to study carbonate–fluid interfacial interactions

  17. X-ray laser; Roentgenlaser

    Energy Technology Data Exchange (ETDEWEB)

    Samuelsen, Emil J.; Breiby, Dag W.

    2009-07-01

    X-ray is among the most important research tools today, and has given priceless contributions to all disciplines within the natural sciences. State of the art in this field is called XFEL, X-ray Free Electron Laser, which may be 10 thousand million times stronger than the x-rays at the European Synchrotron Radiation Facility in Grenoble. In addition XFEL has properties that allow the study of processes which previously would have been impossible. Of special interest are depictions on atomic- and molecular level by the use of x-ray holographic methods, and being able to study chemical reactions in nature's own timescale, the femtosecond. Conclusion: The construction of x-ray lasers is a natural development in a scientific field which has an enormous influence on the surrounding society. While the discovery of x-ray was an important breakthrough in itself, new applications appear one after the other: Medical depiction, dissemination, diffraction, DNA and protein structures, synchrotron radiation and tomography. There is reason to believe that XFEL implies a technological leap as big as the synchrotrons some decades ago. As we are now talking about studies of femtosecond and direct depiction of chemical reactions, it is obvious that we are dealing with a revolution to come, with extensive consequences, both scientifically and culturally. (EW)

  18. Red-detuned, high-intensity, short-duration sweet spot for impulsive X-ray Raman excitation in atoms

    CERN Document Server

    Ware, Matthew R; Haxton, Daniel J

    2016-01-01

    Impulsive X-ray Raman excitations of Lithium, Neon, and Sodium are calculated using the Multiconfiguration Time-Dependent Hartree-Fock method. Using linearly polarized laser pulses without chirp, we determine the optimum central frequency, intensity, and duration for maximum population transfer to valence excited states. We demonstrate the existence of two "sweet spots" for optimum population transfer, either of which, depending on the system, may be superior. The "red-detuned hypothesis" is the proposition that population transfer can be maximized by nonresonant Raman transitions, red-detuned below K-edge, because such detuning minimizes core-excited populations and ionization loss. We find that this hypothesis is verified in the case of Neon -- for Neon, the global optimum for population transfer occurs at high intensity (8 $\\times$ 10$^{19}$ W cm$^{-2}$), short duration (82as full-width-at-half-maximum), and 24eV red-detuned from the K-edge.

  19. Major constituent quantitative determination in uranium alloys by coupled plasma atomic emission spectrometry and X ray fluorescence wavelength dispersive spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Luis Claudio de; Silva, Adriana Mascarenhas Martins da; Gomide, Ricardo Goncalves; Silva, Ieda de Souza, E-mail: luis.claudio@ctmsp.mar.mil.br, E-mail: adriana@ctmsp.mar.mil.br, E-mail: gomide@ctmsp.mar.mil.br, E-mail: ieda@ctmsp.mar.mil.br [Centro Tecnologico da Marinha em Sao Paulo (CEA/CTMSP), Ipero, SP (Brazil). Centro Experimental Aramar

    2013-07-01

    A wavelength-dispersive X-ray fluorescence (WD-XRF) spectrometric method for determination of major constituents elements (Zr, Nb, Mo) in Uranium/Zirconium/Niobium and Uranium/Molybdenum alloy samples were developed. The methods use samples taken in the form of chips that were dissolved in hot nitric acid and precipitate particles melted with lithium tetraborate and dissolved in hot nitric acid and finally analyzed as a solution. Studies on the determination by inductively coupled plasma optic emission spectrometry (ICP OES) using matched matrix in calibration curve were developed. The same samples solution were analyzed in both methods. The limits of detection (LOD), linearity of the calibrations curves, recovery study, accuracy and precision of the both techniques were carried out. The results were compared. (author)

  20. Major constituent quantitative determination in uranium alloys by coupled plasma atomic emission spectrometry and X ray fluorescence wavelength dispersive spectrometry

    International Nuclear Information System (INIS)

    A wavelength-dispersive X-ray fluorescence (WD-XRF) spectrometric method for determination of major constituents elements (Zr, Nb, Mo) in Uranium/Zirconium/Niobium and Uranium/Molybdenum alloy samples were developed. The methods use samples taken in the form of chips that were dissolved in hot nitric acid and precipitate particles melted with lithium tetraborate and dissolved in hot nitric acid and finally analyzed as a solution. Studies on the determination by inductively coupled plasma optic emission spectrometry (ICP OES) using matched matrix in calibration curve were developed. The same samples solution were analyzed in both methods. The limits of detection (LOD), linearity of the calibrations curves, recovery study, accuracy and precision of the both techniques were carried out. The results were compared. (author)

  1. Chest X-Ray

    Medline Plus

    Full Text Available ... the most commonly performed x-ray exams and use a very small dose of ionizing radiation to ... to your health. While a chest x-ray use a tiny dose of ionizing radiation, the benefit ...

  2. Dental x-rays

    Science.gov (United States)

    X-ray - teeth; Radiograph - dental; Bitewings; Periapical film; Panoramic film ... dentist's office. There are many types of dental x-rays. Some are: Bitewing Periapical Palatal (also called occlusal) ...

  3. X-ray (image)

    Science.gov (United States)

    X-rays are a form of ionizing radiation that can penetrate the body to form an image on ... will be shades of gray depending on density. X-rays can provide information about obstructions, tumors, and other ...

  4. X-ray apparatus

    International Nuclear Information System (INIS)

    A diagnostic x-ray device, readily convertible between conventional radiographic and tomographic operating modes, is described. An improved drive system interconnects and drives the x-ray source and the imaging device through coordinated movements for tomography

  5. Study of X-Ray and $\\gamma$-Ray Spectra from Antiprotonic Atoms at the Slowly Extracted Antiproton Beam of LEAR

    CERN Multimedia

    2002-01-01

    This experiment will study the X-ray spectra of antiprotonic atoms and the $\\gamma$ spectra of residual nuclei after the antiproton absorption. We intend to begin with measurements on selected isotopically pure targets. Strong interaction effects, the antiproton absorption and the atomic cascade are analysed through the measurement of energies, lineshapes, relative and absolute intensities of all observable lines. The experiments are continued to determine st in resolved fine structure levels and in different isotopes of the same element. Coincidence techniques may be applied. All components of the experimental set-up are already existing from previous experiments and we could begin the measurements with any slowly extracted beam of low energy at LEAR.

  6. X-Rays

    Science.gov (United States)

    X-rays are a type of radiation called electromagnetic waves. X-ray imaging creates pictures of the inside of your ... different amounts of radiation. Calcium in bones absorbs x-rays the most, so bones look white. Fat and ...

  7. Chest X-Ray

    Medline Plus

    Full Text Available ... by: Image/Video Gallery Your radiologist explains chest x-ray. Transcript Welcome to Radiology Info dot org! Hello, ... you about chest radiography also known as chest x-rays. Chest x-rays are the most commonly performed ...

  8. X-Ray Imaging

    Science.gov (United States)

    ... Brain Surgery Imaging Clinical Trials Basics Patient Information X-Ray Imaging Print This Page X-ray imaging is perhaps the most familiar type of imaging. Images produced by X-rays are due to the different absorption rates of ...

  9. X-ray absorption study of the local electronic and atomic structure of the Ni(CN)2-4 complex anion

    International Nuclear Information System (INIS)

    The near fine structure of absorption K-spectra of nitrogen and carbon atoms in solid potassium tetracyanonickelate K2Ni(CN)4 is studied by the method of quantum yield of extrinsic x-ray photoeffect by means of an RSM-500 x-ray spectrometer-monochromator and bremsstrahlung of an x-ray tube with a tungsten anode. Resonant features in the structure of spectra obtained and in the NiK-spectrum known from the literature are identified within the framework of the quasi-molecular approach with the use of comparative analysis of NK- and CK-spectra of the Ni(CN)2-4 and Fe(CN)4-6 complex anions and a free HCN molecule. As a result of the analysis carried out, all the form resonances are related to transitions of core electrons to free molecular orbitals (MO) of a Ni(CN)2-4 complex; symmetry of these MO and their relative energy locations are determined, and regions of spatial localization are found for each resonance. It is found that the lower MO of the complex are orbitals formed of antibonding 2π orbitals of CN- ligands. The shortening of the interatomic distance d(C-N) found in going from Ni(CN)2-4 (1.16 A) to Fe(CN)4-6 (1.09 A) is explained by the assumed decrease in transfer of the 3dπ-electron density to antibonding 2π orbitals of CN- ligands

  10. Atomic structure and composition of the 2×N reconstruction of the Ge wetting layer on Si(001) investigated by surface x-ray diffraction

    Science.gov (United States)

    Zhou, T.; Renaud, G.; Revenant, C.; Issartel, J.; Schülli, T. U.; Felici, R.; Malachias, A.

    2011-05-01

    The 2 × N reconstruction of the Ge/Si(001) wetting layer has been investigated by surface x-ray diffraction. At a substrate temperature of 670ˆC, the average N periodicity decreases from N = 11.5 to 8 with an increasing Ge coverage from one to three monolayers (ML). The top layer consists of asymmetric dimers with a bond length in the range of 2.50-2.60 Å and a buckling angle in the range of 9.4°-15.6°, depending on the Ge coverage. The obtained dimer bond lengths are similar to those calculated for alternating asymmetric mixed dimers. Intermixing of Ge with Si is found down to the sixth (eighth) layer for 2 (from 3 to 5) ML coverage. For 2 ML coverage, a quantitative surface x-ray diffraction data set has been measured. It is analyzed using a model describing the atomic structure and Ge occupation probability with a limited set of parameters to bypass the intrinsic lack of appreciable reflections of the 2 × N (N = 9) reconstruction. The Ge occupation probability varies periodically along the N direction, having its minimum value below the dimer vacancy lines. In addition, a more direct calculation of the Lorentz and detector acceptance corrections is given for rocking and radial scans.

  11. Oxygen K-edge extended x-ray-absorption fine-structure studies of molecules containing oxygen and carbon atoms

    International Nuclear Information System (INIS)

    The absorption spectra of a group of selected molecules containing O: C bonds, carbon monoxide, carbon dioxide, carbonyl sulfide, acetone, ethanol, diethylether, tetrahydrofuran, and dioxane, have been recorded in a transmission mode in the energy region from 500 to 1000 eV. Earlier observation of extended x-ray-absorption fine structure (EXAFS) in some of these molecules is confirmed. A systematic analysis of the EXAFS spectra is performed. The results in both phase and amplitude show disagreement with the single-electron single-scattering theory with plane-wave approximation. The measured phase is systematically lower than the theory of Teo and Lee [J. Am. Chem. Soc. 101, 2815 (1979)] by about 0.7--1.5 rad, which may be significant in determining interatomic distances. The EXAFS amplitude function in the molecules containing oxygen-carbon single bonds also shows an appreciable deviation (decrease) in the first-neighbor backscattering from that predicted by theory and an increase in the second-neighbor backscattering at high-k values

  12. Material Discriminated X-Ray CT System by Using New X-Ray Imager with Energy Discriminate Function

    OpenAIRE

    Toru Aoki; Takuya Nakashima; Hisashi Morii; Yoichiro Neo; Hidenori Mimura

    2008-01-01

    Material discriminated X-ray CT system has been constructed by using conventional X-ray tube (white X-ray source) and photon-counting X-ray imager as an application with energy band detection. We have already reported material identify X-ray CT using K-shell edge method elsewhere. In this report the principle of material discrimination was adapted the separation of electron-density and atomic number from attenuation coefficient mapping in X-ray CT reconstructed image in two wavelength X-ray C...

  13. Correlated high-resolution x-ray diffraction, photoluminescence, and atom probe tomography analysis of continuous and discontinuous InxGa1−xN quantum wells

    International Nuclear Information System (INIS)

    Atom probe tomography (APT) is used to characterize the influence of hydrogen dosing during GaN barrier growth on the indium distribution of InxGa1−xN quantum wells, and correlated micro-photoluminescence is used to measure changes in the emission spectrum and efficiency. Relative to the control growth, hydrogen dosing leads to a 50% increase in emission intensity arising from discontinuous quantum wells that are narrower, of lower indium content, and with more abrupt interfaces. Simulations of carrier distributions based on APT composition profiles indicate that the greater carrier confinement leads to an increased radiative recombination rate. Furthermore, APT analysis of quantum well profiles enables refinement of x-ray diffraction analysis for more accurate nondestructive measurements of composition

  14. Atomic substitution effects on the structural and vibrational properties of NixPb1-xTiO3: X-ray diffraction and Raman scattering investigations

    International Nuclear Information System (INIS)

    The effects of the atomic substitution of Pb by Ni in the PbTiO3 ferroelectric perovskite on the vibrational and structural properties was studied using x-ray diffraction and Raman scattering. It was observed that for Ni concentrations between 0.0 and 0.4, there is the formation of a solid solution with reduction of the Raman wavenumber of the E(TO1) soft mode and the tetragonallity factor, which influence directly the temperature of the tetragonal ferroelectric to cubic paraelectric phase transition, the Curie temperature. For concentrations greater than 0.4, it is observed the formation of a PbTiO3 and NiTiO3 composite, denounced by the recovering of the both, tetragonallity factor and the E(TO1) soft mode wavenumber. The values of the Curie temperatures were estimated by the Raman scattering measurements for temperatures ranging from 300 to 950 K

  15. In-situ X-ray Photoemission Spectroscopy Study of Atomic Layer Deposition of TiO2 on Silicon Substrate

    Science.gov (United States)

    Youb Lee, Seung; Jeon, Cheolho; Kim, Seok Hwan; Kim, Yooseok; Jung, Woosung; An, Ki-Seok; Park, Chong-Yun

    2012-03-01

    In-situ X-ray photoemission spectroscopy (XPS) has been used to investigate the initial stages of TiO2 growth on a Si(001) substrate by atomic layer deposition (ALD). The core level spectra of Si 2p, C 1s, O 1s, and Ti 2p were measured at every half reaction in the titanium tetra-isopropoxide (TTIP)-H2O ALD process. The ligand exchange reactions were verified using the periodic oscillation of the C 1s concentration, as well as changes in the hydroxyl concentration. XPS analysis revealed that Ti2O3 and Si oxide were formed at the initial stages of TiO2 growth. A stoichiometric TiO2 layer was dominantly formed after two cycles and was chemically saturated after four cycles.

  16. Atomic substitution effects on the structural and vibrational properties of NixPb1-xTiO3: X-ray diffraction and Raman scattering investigations

    Directory of Open Access Journals (Sweden)

    R. C. da Costa

    2015-07-01

    Full Text Available The effects of the atomic substitution of Pb by Ni in the PbTiO3 ferroelectric perovskite on the vibrational and structural properties was studied using x-ray diffraction and Raman scattering. It was observed that for Ni concentrations between 0.0 and 0.4, there is the formation of a solid solution with reduction of the Raman wavenumber of the E(TO1 soft mode and the tetragonallity factor, which influence directly the temperature of the tetragonal ferroelectric to cubic paraelectric phase transition, the Curie temperature. For concentrations greater than 0.4, it is observed the formation of a PbTiO3 and NiTiO3 composite, denounced by the recovering of the both, tetragonallity factor and the E(TO1 soft mode wavenumber. The values of the Curie temperatures were estimated by the Raman scattering measurements for temperatures ranging from 300 to 950 K.

  17. Synchrotron radiation photoelectron spectroscopy and near-edge X-ray absorption fine structure study on oxidative etching of diamond-like carbon films by hyperthermal atomic oxygen

    International Nuclear Information System (INIS)

    Surface structural changes of a hydrogenated diamond-like carbon (DLC) film exposed to a hyperthermal atomic oxygen beam were investigated by Rutherford backscattering spectroscopy (RBS), synchrotron radiation photoelectron spectroscopy (SR-PES), and near-edge X-ray absorption fine structure (NEXAFS). It was confirmed that the DLC surface was oxidized and etched by high-energy collisions of atomic oxygen. RBS and real-time mass-loss data showed a linear relationship between etching and atomic oxygen fluence. SR-PES data suggested that the oxide layer was restricted to the topmost surface of the DLC film. NEXAFS data were interpreted to mean that the sp2 structure at the DLC surface was selectively etched by collisions with hyperthermal atomic oxygen, and an sp3-rich region remained at the topmost DLC surface. The formation of an sp3-rich layer at the DLC surface led to surface roughening and a reduced erosion yield relative to the pristine DLC surface.

  18. X-ray sources as tracers of the large-scale structure in the Universe

    OpenAIRE

    Barcons, X.; Carrera, F. J.; Ceballos, M. T.; Mateos, S.

    2000-01-01

    We review the current status of studies of large-scale structure in the X-ray Universe. After motivating the use X-rays for cosmological purposes, we discuss the various approaches used on different angular scales including X-ray background multipoles, cross-correlations of the X-ray background with galaxy catalogues, clustering of X-ray selected sources and small-scale fluctuations and anisotropies in the X-ray background. We discuss the implications of the above studies for the bias paramet...

  19. Band alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface determined by charge corrected X-ray photoelectron spectroscopy

    Science.gov (United States)

    Yan, Baojun; Liu, Shulin; Yang, Yuzhen; Heng, Yuekun

    2016-05-01

    Pure magnesium (MgO) and zinc oxide doped with aluminum oxide (Zn0.8Al0.2O) were prepared via atomic layer deposition. We have studied the structure and band gap of bulk Zn0.8Al0.2O material by X-ray diffractometer (XRD) and Tauc method, and the band offsets and alignment of atomic layer deposited MgO/Zn0.8Al0.2O heterointerface were investigated systematically using X-ray photoelectron spectroscopy (XPS) in this study. Different methodologies, such as neutralizing electron gun, the use of C 1s peak recalibration and zero charging method, were applied to recover the actual position of the core levels in insulator materials which were easily influenced by differential charging phenomena. Schematic band alignment diagram, valence band offset (ΔEV) and conduction band offset (ΔEC) for the interface of the MgO/Zn0.8Al0.2O heterostructure have been constructed. An accurate value of ΔEV = 0.72 ± 0.11 eV was obtained from various combinations of core levels of heterojunction with varied MgO thickness. Given the experimental band gaps of 7.83 eV for MgO and 5.29 eV for Zn0.8Al0.2O, a type-II heterojunction with a ΔEC of 3.26 ± 0.11 eV was found. Band offsets and alignment studies of these heterojunctions are important for gaining deep consideration to the design of various optoelectronic devices based on such heterointerface.

  20. Average-atom treatment of relaxation time in X-ray Thomson scattering from warm-dense matter

    OpenAIRE

    Johnson, Walter R.; Nilsen, Joseph

    2015-01-01

    The influence of finite relaxation times on Thomson scattering from warm-dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform ele...

  1. Ultrashort X-ray pulse science

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-05-01

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

  2. Ultrashort X-ray pulse science

    International Nuclear Information System (INIS)

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

  3. External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.

    Science.gov (United States)

    Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O; Zhang, Guoqing

    2016-07-28

    Enhanced spin-orbit coupling through external heavy-atom effect (EHE) has been routinely used to induce room-temperature phosphorescence (RTP) for purely organic molecular materials. Therefore, understanding the nature of EHE, i.e., the specific orbital interactions between the external heavy atom and the luminophore, is of essential importance in molecular design. For organic systems, halogens (e.g., Cl, Br, and I) are the most commonly seen heavy atoms serving to realize the EHE-related RTP. In this report, we conduct an investigation on how heavy-atom perturbers and aromatic luminophores interact on the basis of data obtained from crystallography. We synthesized two classes of molecular systems including N-haloalkyl-substituted carbazoles and quinolinium halides, where the luminescent molecules are considered as "base" or "acid" relative to the heavy-atom perturbers, respectively. We propose that electron donation from a π molecular orbital (MO) of the carbazole to the σ* MO of the C-X bond (π/σ*) and n electron donation to a π* MO of the quinolinium moiety (n/π*) are responsible for the EHE (RTP) in the solid state, respectively. PMID:27319778

  4. Dual-energy X-ray CT and the extension to polychromatic X-ray CT

    International Nuclear Information System (INIS)

    We have developed dual energy X-ray CT using monochromatic X-ray beams. From the dual-energy X-ray CT, we can obtain distributions of an electron density and an effective atomic number in a human body. Especially, the electron density is very important for the heavy ion radiotherapy. Now, we adopted new array-detector to know the energy of incident photons as well as detect the position and the number of photons. We carry out the experiment of the dual-energy X-ray CT at the beamline of KEK and SPring-8 as a fundamental study for the polychromatic X-ray CT. We will show the preliminary result of this experiments and the feasibility of a quantitative polychromatic X-ray CT as an advanced method of monochromatic X-ray CT in this study. (author)

  5. X-Ray Polarimetry

    OpenAIRE

    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 ...

  6. Average-atom treatment of relaxation time in X-ray Thomson scattering from warm-dense matter

    CERN Document Server

    Johnson, Walter R

    2016-01-01

    The influence of finite relaxation times on Thomson scattering from warm-dense plasmas is examined within the framework of the average-atom approximation. To this end, the Lindhard dielectric function, commonly used to evaluate the free-electron contribution to the Thomson cross section, is replaced by the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time, which is evaluated by treating the average atom as an impurity in a uniform electron gas, depends critically on the transport cross section, which is evaluated in terms of scattering phase shifts in the average-atom potential. For the examples considered here, the calculated relaxation rates agree well, over a wide range of plasma densities and temperatures, with values inferred from the Ziman formula for the static conductivity and also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis are compared with cross sections evaluated in ...

  7. Quantum electrodynamics tests and X-rays standards using pionic atoms and highly charged ions; Tests d'electrodynamique quantique et etalons de rayons-X a l'aide des atomes pioniques et des ions multicharges

    Energy Technology Data Exchange (ETDEWEB)

    Martino, Trassinelli

    2005-12-15

    The object of this thesis is to present a new measurement of the pion mass using pionic nitrogen X-ray spectroscopy and results on helium-like argon and sulphur spectroscopy. The new pion mass has been measured with an accuracy of 1.7 ppm, 30% better that the present world average value, and it is obtained from Bragg spectroscopy of 5 ->4 pionic nitrogen transitions using the theoretical predictions provided by quantum electrodynamics. We have got: m({pi}{sup -}) = (139.571042 {+-} 0.000210 {+-} 0.000110) where the first error is due to the statistics and the second is the systematic error. I present the calculation of the hyperfine structure and recoil corrections for pionic atoms using a new perturbation method for the Klein-Gordon equation. The spectrometer used for this measurement has been characterized with the relativistic M1 transitions from helium-like ions produced with a new device, the Electron-Cyclotron-Resonance Ion Trap. High statistics spectra from these ions have enabled us to measure transition energies with an accuracy of some ppm which has allowed us to compare theoretical predictions with experiment data. X-ray emission from pionic atoms and multicharged ions can be used to define new types of X-ray standards for energies of a few keV.

  8. Determination of dopant atomic positions with kinematical X-ray standing waves; Untersuchung von Fremdatomen in kristallinen Materialien mit kinematischen stehenden Roentgenwellen

    Energy Technology Data Exchange (ETDEWEB)

    Walz, Bente

    2011-11-15

    Recent advances in the kinematic X-ray standing wave technique (KXSW) for the determination of the atomic coordinates and displacement parameters in nonperfect crystalline materials are described in this thesis. The methodology has been improved by considering three significant aspects: - the inclusion of weak multiple beam contributions - the excitation of secondary fluorescence in multiple-element samples - the influence of the crystal mosaicity on the fluorescence yield. The improvements allowed to successfully apply the method to investigate complex oxide materials of current interest for potential device applications. The thermally-induced interdiffusion of cobalt and manganese thin films on zinc oxide single crystals has been studied to determine which lattice sites are occupied preferentially. The data analysis revealed that after thermal diffusion the adsorbed atoms occupied zinc sites in the host lattice. The mean deviation of the cobalt atomic position from the zinc lattice site was comparable to the thermal displacement parameter of the zinc atoms. In the case of manganese a secondary phase was found on the surface. Measurements performed on LaSrMnO{sub 4} provided new insight concerning the rotation of the oxygen octahedron around the manganese atoms and the concomitant displacements of the strontium and lanthanum atoms. It was found that the oxygen octahedra are rotated around the [100]-direction by 4,5 . The measurements in transmission geometry performed on titanium dioxide (rutile) demonstrated that KXSW measurements in the Laue geometry is a viable technique. By performing KXSW under grazing-incidence conditions it is possible to achieve depth resolution. The results clearly show that the extended KXSW technique is a versatile method for characterizing complex material systems. (orig.)

  9. Validity of automated x-ray photoelectron spectroscopy algorithm to determine the amount of substance and the depth distribution of atoms

    International Nuclear Information System (INIS)

    The author reports a systematic study of the range of validity of a previously developed algorithm for automated x-ray photoelectron spectroscopy analysis, which takes into account the variation in both peak intensity and the intensity in the background of inelastically scattered electrons. This test was done by first simulating spectra for the Au4d peak with gold atoms distributed in the form of a wide range of nanostructures, which includes overlayers with varying thickness, a 5 Å layer of atoms buried at varying depths and a substrate covered with an overlayer of varying thickness. Next, the algorithm was applied to analyze these spectra. The algorithm determines the number of atoms within the outermost 3 λ of the surface. This amount of substance is denoted AOS3λ (where λ is the electron inelastic mean free path). In general the determined AOS3λ is found to be accurate to within ∼10–20% depending on the depth distribution of the atoms. The algorithm also determines a characteristic length L, which was found to give unambiguous information on the depth distribution of the atoms for practically all studied cases. A set of rules for this parameter, which relates the value of L to the depths where the atoms are distributed, was tested, and these rules were found to be generally valid with only a few exceptions. The results were found to be rather independent of the spectral energy range (from 20 to 40 eV below the peak energy) used in the analysis.

  10. Multipole moments for embedding potentials

    DEFF Research Database (Denmark)

    Nørby, Morten Steen; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob;

    2016-01-01

    and RNA/DNA, and of molecules in solution. Our aim is to develop a computational methodology for distributed multipole moments and their associated multipole polarizabilities which is accurate, computationally efficient, and with smooth convergence with respect to multipole order. As the first step...... toward this goal, we herein investigate different ways of obtaining distributed atom-centered multipole moments that are used in the construction of the electrostatic part of the embedding potential. Our objective is methods that not only are accurate and computationally efficient, but which can be...

  11. X-ray interferometers

    International Nuclear Information System (INIS)

    An improved type of amplitude-division x-ray interferometer is described. The wavelength at which the interferometer can operate is variable, allowing the instrument to be used to measure x-ray wavelength, and the angle of inclination is variable for sample investigation. (U.K.)

  12. X-ray - skeleton

    Science.gov (United States)

    A skeletal x-ray is an imaging test used to look at the bones. It is used to detect fractures , tumors, or ... in the health care provider's office by an x-ray technologist. You will lie on a table or ...

  13. Extremity x-ray

    Science.gov (United States)

    An extremity x-ray is an image of the hands, wrist, feet, ankle, leg, thigh, forearm humerus or upper arm, hip, shoulder ... term "extremity" often refers to a human limb. X-rays are a form of radiation that passes through ...

  14. Dental x-rays

    Science.gov (United States)

    ... addition, many dentists are taking x-rays using digital technology. The image runs through a computer. The amount of radiation given off during the procedure is less than traditional methods. Other types of dental x-rays can create a 3-D picture ...

  15. CHIANTI—AN ATOMIC DATABASE FOR EMISSION LINES. XIII. SOFT X-RAY IMPROVEMENTS AND OTHER CHANGES

    International Nuclear Information System (INIS)

    The CHIANTI spectral code consists of two parts: an atomic database and a suite of computer programs in Python and IDL. Together, they allow the calculation of the optically thin spectrum of astrophysical objects and provide spectroscopic plasma diagnostics for the analysis of astrophysical spectra. The database includes atomic energy levels, wavelengths, radiative transition probabilities, collision excitation rate coefficients, ionization, and recombination rate coefficients, as well as data to calculate free-free, free-bound, and two-photon continuum emission. Version 7.1 has been released, which includes improved data for several ions, recombination rates, and element abundances. In particular, it provides a large expansion of the CHIANTI models for key Fe ions from Fe VIII to Fe XIV to improve the predicted emission in the 50-170 Å wavelength range. All data and programs are freely available at http://www.chiantidatabase.org and in SolarSoft, while the Python interface to CHIANTI can be found at http://chiantipy.sourceforge.net.

  16. CHIANTI-AN ATOMIC DATABASE FOR EMISSION LINES. XIII. SOFT X-RAY IMPROVEMENTS AND OTHER CHANGES

    Energy Technology Data Exchange (ETDEWEB)

    Landi, E. [Department of Atmospheric, Oceanic and Space Sciences, University of Michigan, Ann Arbor, MI 48109 (United States); Young, P. R. [College of Science, George Mason University, 4400 University Drive, Fairfax, VA, 22030 (United States); Dere, K. P. [School of Physics, Astronomy and Computational Sciences, MS 6A2, George Mason University, 4400 University Drive, Fairfax, VA 22030 (United States); Del Zanna, G.; Mason, H. E. [Department of Applied Mathematics and Theoretical Physics, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA (United Kingdom)

    2013-02-15

    The CHIANTI spectral code consists of two parts: an atomic database and a suite of computer programs in Python and IDL. Together, they allow the calculation of the optically thin spectrum of astrophysical objects and provide spectroscopic plasma diagnostics for the analysis of astrophysical spectra. The database includes atomic energy levels, wavelengths, radiative transition probabilities, collision excitation rate coefficients, ionization, and recombination rate coefficients, as well as data to calculate free-free, free-bound, and two-photon continuum emission. Version 7.1 has been released, which includes improved data for several ions, recombination rates, and element abundances. In particular, it provides a large expansion of the CHIANTI models for key Fe ions from Fe VIII to Fe XIV to improve the predicted emission in the 50-170 A wavelength range. All data and programs are freely available at http://www.chiantidatabase.org and in SolarSoft, while the Python interface to CHIANTI can be found at http://chiantipy.sourceforge.net.

  17. X-ray backscatter imaging

    Science.gov (United States)

    Dinca, Dan-Cristian; Schubert, Jeffrey R.; Callerame, J.

    2008-04-01

    In contrast to transmission X-ray imaging systems where inspected objects must pass between source and detector, Compton backscatter imaging allows both the illuminating source as well as the X-ray detector to be on the same side of the target object, enabling the inspection to occur rapidly and in a wide variety of space-constrained situations. A Compton backscatter image is similar to a photograph of the contents of a closed container, taken through the container walls, and highlights low atomic number materials such as explosives, drugs, and alcohol, which appear as especially bright objects by virtue of their scattering characteristics. Techniques for producing X-ray images based on Compton scattering will be discussed, along with examples of how these systems are used for both novel security applications and for the detection of contraband materials at ports and borders. Differences between transmission and backscatter images will also be highlighted. In addition, tradeoffs between Compton backscatter image quality and scan speed, effective penetration, and X-ray source specifications will be discussed.

  18. Analysis of x-ray spectra emitted from highly ionized atoms in the vacuum spark and laser-produced high power plasma sources

    International Nuclear Information System (INIS)

    The interest in atomic spectroscopy has greatly been reinforced in the last ten years. This gain of interest is directly related to the developments in different fields of research where hot plasmas are created. These fields include in particular controlled thermonuclear fusion research by means of inertial or magnetic confinement approaches and also the most recent efforts to achieve lasers in the XUV region. The present work is based on the specific contribution of the atomic spectroscopy group at the Hebrew University. The recent development of both theoretical and experimental tools allowed us to progress in the understanding of the highly ionized states of heavy elements. In this work the low-inductance vacuum-spark developed at the Hebrew University was used as the hot plasma source. The spectra were recorded in the 7-300 A range by means of a high-resolution extreme-grazing-incidence spectrometer developed at the Racah Institute by Profs. J.L. Schwob and B.S. Fraenkel. To the extend the spectroscopic studies to higher-Z atoms, the laser-produced plasma facility at Soreq Nuclear Center was used. In this work the spectra of the sixth row elements were recorded in the x-rays by means of a crystal spectrometer. All these experimental systems are briefly described in chapter one. Chapter two deals with the theoretical methods used in the present work for the atomic calculations. Chapter three deals with the spectra of elements of the fifth row emitted from the vacuum-spark in the 30-150 A range. These spectra as experimental data were used in order to test ab-initio computations along the NiI sequence 3d-nl transitions. The results of this work are presented in chapter four. Chapter five is devoted to the measurement and analysis of spectra emitted from the vacuum-spark by rare-earth elements. (author)

  19. Neutrons, deuteration and synchrotron X-rays for the study of biology and advanced materials: A match made in atoms..

    International Nuclear Information System (INIS)

    Together, the Australian Synchrotron in Melbourne and the OPAL research reactor, at the Bragg Institute in Sydney represent Australia's largest ever investment in scientific infrastructure. Both facilities commenced operation in 2007, have passed through their infancy and adolescence to take their place amongst the rank of top-flight international user facilities. Far from middle-aged, these two vibrant landmark facilities (each with 10 operational beamlines) and along with the National Deuteration Facility at ANSTO have provided transformational research capabilities for the Australian scientific community. Although modest in size compared to the well-established international competition, both institutions are producing excellent amounts of high-quality research with the Bragg Institute and the Australian Synchrotron generating more than 200 and 450 peer-reviewed publications per annum respectively. At first glance both synchrotron and neutron sources show similar scientific profiles, encompassing an extremely wide range of disciplines: materials, chemistry, biology, condensed matter physics, nanotechnology, engineering, geosciences, archaeology and studies relating to cultural heritage. Common to both are advanced capabilities for the study of atomic and molecular structure, as well as operational studies of functional materials under a diverse range of extreme environments. A more forensic examination however reveals fundamental differences in their DNA. While the biological, pharmaceutical and medical research communities drive substantial capability development and research outcomes at the Australian Synchrotron, neutron scattering and molecular deuteration at the Bragg Institute provides a focus for studies in soft condensed matter, physical and inorganic chemistry, solid state physics and crystallography. Although their respective probes are generated from different parts of the atom and interact with matter in fundamentally different ways, my

  20. Reply to open-quote open-quote Comment on open-quote x-ray-absorption fine structure in embedded atoms close-quote close-quote close-quote

    International Nuclear Information System (INIS)

    We respond to the previous Comment concerning the evidence for a weak oscillatory structure in the atomic background absorption cross section in x-ray-absorption fine structure (XAFS). We show that improved background calculations which suppress muffin-tin discontinuities still exhibit fine structure comparable to that observed. copyright 1996 The American Physical Society

  1. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... Resources Professions Site Index A-Z X-ray (Radiography) - Bone Bone x-ray uses a very small ... X-ray (Radiography)? What is Bone X-ray (Radiography)? An x-ray (radiograph) is a noninvasive medical ...

  2. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... Professions Site Index A-Z X-ray (Radiography) - Bone Bone x-ray uses a very small dose ... limitations of Bone X-ray (Radiography)? What is Bone X-ray (Radiography)? An x-ray (radiograph) is ...

  3. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... News Physician Resources Professions Site Index A-Z X-ray (Radiography) - Bone Bone x-ray uses a very ... of Bone X-ray (Radiography)? What is Bone X-ray (Radiography)? An x-ray (radiograph) is a noninvasive ...

  4. Lumbosacral spine x-ray

    Science.gov (United States)

    X-ray - lumbosacral spine; X-ray - lower spine ... The test is done in a hospital x-ray department or your health care provider's office by an x-ray technician. You will be asked to lie on the x-ray table ...

  5. Bone X-Ray (Radiography)

    Science.gov (United States)

    ... News Physician Resources Professions Site Index A-Z X-ray (Radiography) - Bone Bone x-ray uses a very ... of Bone X-ray (Radiography)? What is Bone X-ray (Radiography)? An x-ray (radiograph) is a noninvasive ...

  6. Abdomen X-Ray (Radiography)

    Science.gov (United States)

    ... News Physician Resources Professions Site Index A-Z X-ray (Radiography) - Abdomen Abdominal x-ray uses a very ... of an abdominal x-ray? What is abdominal x-ray? An x-ray (radiograph) is a noninvasive medical ...

  7. X-ray apparatus

    International Nuclear Information System (INIS)

    A patient support system for X-ray equipment in arteriographic studies of the heart is described in detail. The support system has been designed to overcome many of the practical problems encountered in using previous types of arteriographic X-ray equipment. The support system is capable of horizontal movement and, by a series of shafts attached to the main support system, the X-ray source and image intensifier or detector may be rotated through the same angle. The system is highly flexible and details are given of several possible operational modes. (U.K.)

  8. X-ray lasers

    CERN Document Server

    Elton, Raymond C

    2012-01-01

    The first in its field, this book is both an introduction to x-ray lasers and a how-to guide for specialists. It provides new entrants and others interested in the field with a comprehensive overview and describes useful examples of analysis and experiments as background and guidance for researchers undertaking new laser designs. In one succinct volume, X-Ray Lasers collects the knowledge and experience gained in two decades of x-ray laser development and conveys the exciting challenges and possibilities still to come._Add on for longer version of blurb_M>The reader is first introduced

  9. A comparative study on total reflection X-ray fluorescence determination of low atomic number elements in air, helium and vacuum atmospheres using different excitation sources

    International Nuclear Information System (INIS)

    A comparison of trace element determinations of low atomic number (Z) elements Na, Mg, Al, P, K and Ca in air, helium and vacuum atmospheres using W Lβ1, Mo Kα and Cr Kα excitations has been made. For Mo Kα and W Lβ1 excitations a Si (Li) detector with beryllium window was used and measurements were performed in air and helium atmospheres. For Cr Kα excitation, a Si (Li) detector with an ultra thin polymer window (UTW) was used and measurements were made in vacuum and air atmospheres. The sensitivities of the elemental X-ray lines were determined using TXRF spectra of standard solutions and processing them by IAEA QXAS program. The elemental concentrations of the elements in other solutions were determined using their TXRF spectra and pre-determined sensitivity values. The study suggests that, using the above experimental set up, Mo Kα excitation is not suited for trace determination of low atomic number element. Excitation by WLβ1 and helium atmosphere, the spectrometer can be used for the determination of elements with Z = 15 (P) and above with fairly good detection limits whereas Cr Kα excitation with ultra thin polymer window and vacuum atmosphere is good for the elements having Z = 11 (Na) and above. The detection limits using this set up vary from 7048 pg for Na to 83 pg for Ti. - Highlights: • TXRF conditions are optimized for low atomic number (Z) element determinations. • Mo Kα with Be window detector can be used for elements with Z ≥ 20 (K). • W Lβ1 with Be window detector can be used for elements with Z ≥ 15 (P). • Cr Kα, UTW detector and vacuum atmosphere are suitable for elements with Z ≥ 11 (Na). • For the elements with Z ≥ 11 (Na), a separate study is needed

  10. Low exposure x-ray transmission measurements for contrast media detection with filtered x-rays

    International Nuclear Information System (INIS)

    A feasibility study of X-ray transmission measurements for contrast media with less exposure using filtered X-rays and their energy information is described. Based on measurements of the energy spectra of La-filtered X-rays, sensitivity to the contrast media and the relative quantity of dose exposure of filtered X-rays as the ratio to white X-rays are shown. The dose exposure for the measurement of iodine contrast media is reduced by more than 50% with a 400 μm thick La filter. By using a filter with atomic number close to that of iodine such as Cs and Ba, a greater reduction in dose exposure with a smaller increase in the current of the X-ray tube is expected. (author)

  11. Physics and astronomy of celestial x-ray sources

    International Nuclear Information System (INIS)

    An introduction is given to those aspects of classical and atomic physics which are pertinent to x-ray astronomy, observations in the spectral band 1017 to 1021 Hz. The following discrete and extended x-ray sources are discussed: Scorpius X-1, Crab Nebula, Hercules X-1, Cygnus X-1, binary x-ray sources, other galactic sources and gamma-ray sources, extragalactic sources, the diffuse background, and soft x-ray background. 11 figures, 92 references

  12. Detailed Mapping of the Local Ir4+ Dimers through the Metal-Insulator Transitions of CuIr2S4 Thiospinel by X-Ray Atomic Pair Distribution Function Measurements

    Science.gov (United States)

    Božin, E. S.; Masadeh, A. S.; Hor, Y. S.; Mitchell, J. F.; Billinge, S. J. L.

    2011-01-01

    The evolution of the short-range structural signature of the Ir4+ dimer state in CuIr2S4 thiospinel has been studied across the metal-insulator phase transitions as the metallic state is induced by temperature, Cr doping, and x-ray fluence. An atomic pair distribution function (PDF) approach reveals that there are no local dimers that survive into the metallic phase when this is invoked by temperature and doping. The PDF shows Ir4+ dimers when they exist, regardless of whether or not they are long-range ordered. At 100 K, exposure to a 98 keV x-ray beam melts the long-range dimer order within a few seconds, though the local dimers remain intact. This shows that the metallic state accessed on warming and doping is qualitatively different from the state obtained under x-ray irradiation.

  13. Comparative and complementary characterization of precipitate microstructures in Al-Mg-Si(-Li) alloys by transmission electron microscopy, energy dispersive X-ray spectroscopy and atom probe tomography

    International Nuclear Information System (INIS)

    Highlights: • Microalloying addition of Li enhances the age-hardening response of Al-Mg-Si alloys. • Size and number density of nanoclusters or precipitates are increased by Li addition. • Mg and Si contents within the aggregates are inversely decreased by Li addition. • Microalloying Li accelerates heterogeneous nucleation of such Mg-Si aggregates. - Abstract: In this study, comparative and complementary characterization of precipitate microstructures by transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS) and atom probe tomography (APT) has been performed for Al-0.55 wt%Mg-0.89 wt%Si(-0.043 wt%Li) alloys aged at 433 K for 1.2 ks (under aging) and 36 ks (peak aging). Quantitative estimation of nanometer-scale clusters (nanoclusters) and β″ precipitates by TEM and APT revealed that microalloying addition of Li increases the size and number density of these Mg-Si aggregates, resulting in the enhanced age-hardening response. Positive evidence by APT for the segregation of Li suggests that heterogeneous nucleation of such Mg-Si aggregates with the aid of Li is attributed to the modified precipitate microstructures and thus improved mechanical strength of this alloy system

  14. Comparative and complementary characterization of precipitate microstructures in Al-Mg-Si(-Li) alloys by transmission electron microscopy, energy dispersive X-ray spectroscopy and atom probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Koshino, Yuki [Department of Mechanical Engineering and Materials Science, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501 (Japan); Kozuka, Masaya [Materials Research Laboratory, Kobe Steel, Ltd., 1-5-5 Takatsukadai, Nishi-ku, Kobe 651-2271 (Japan); Hirosawa, Shoichi, E-mail: hirosawa@ynu.ac.jp [Department of Mechanical Engineering and Materials Science, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501 (Japan); Aruga, Yasuhiro [Materials Research Laboratory, Kobe Steel, Ltd., 1-5-5 Takatsukadai, Nishi-ku, Kobe 651-2271 (Japan)

    2015-02-15

    Highlights: • Microalloying addition of Li enhances the age-hardening response of Al-Mg-Si alloys. • Size and number density of nanoclusters or precipitates are increased by Li addition. • Mg and Si contents within the aggregates are inversely decreased by Li addition. • Microalloying Li accelerates heterogeneous nucleation of such Mg-Si aggregates. - Abstract: In this study, comparative and complementary characterization of precipitate microstructures by transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS) and atom probe tomography (APT) has been performed for Al-0.55 wt%Mg-0.89 wt%Si(-0.043 wt%Li) alloys aged at 433 K for 1.2 ks (under aging) and 36 ks (peak aging). Quantitative estimation of nanometer-scale clusters (nanoclusters) and β″ precipitates by TEM and APT revealed that microalloying addition of Li increases the size and number density of these Mg-Si aggregates, resulting in the enhanced age-hardening response. Positive evidence by APT for the segregation of Li suggests that heterogeneous nucleation of such Mg-Si aggregates with the aid of Li is attributed to the modified precipitate microstructures and thus improved mechanical strength of this alloy system.

  15. Atomic scale structure of the 5-fold surface of an AlPdMn quasicrystal: A quantitative X-Ray photoelectron diffraction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jin-Cheng; Huan, C.H.A.; Wee, A.T.S.; Van Hove, M.A.; Fadley, C.S.; Shi, F.J.; Rotenberg, E.; Barman, S.R.; Paggel, J.J.; Horn, K.; Ebert, Ph.; Urban, K.

    2004-02-11

    The atomic scale structure of the 5-fold symmetric surface of an AlPdMn quasicrystal is investigated quantitatively by comparing x-ray photoelectron diffraction (XPD) simulations to experiment. The observed 5-fold symmetry of the diffraction patterns indicates that the surface is quasicrystalline with no hint of a reconstruction from the bulk structure. In analyzing the experimental data, many possible bulk terminations have been tested. Those few that fit best to the data have in common that they contain an Al-rich surface layer followed by a dense mixed Al/Pd/Mn layer. These best terminations, while not identical to each other, are suggested to form terraces coexisting on a real surface. Structural relaxations of the quasicrystal surface are also analyzed: mixing several best-fit terminations gives average best-fit interlayer spacing changes of Dd12 = -0.057 Angstrom, Dd24 = +0.159 Angstrom. These results are in good agreement with a prior structure determination by LEED on a sample that was prepared in a different manner.

  16. Characterization of the shape and line-edge roughness of polymer gratings with grazing incidence small-angle X-ray scattering and atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Suh, Hyo Seon; Chen, Xuanxuan; Rincon-Delgadillo, Paulina A.; Jiang, Zhang; Strzalka, Joseph; Wang, Jin; Chen, Wei; Gronheid, Roel; de Pablo, Juan J.; Ferrier, Nicola; Doxastakis, Manolis; Nealey, Paul F.

    2016-04-22

    Grazing-incidence small-angle X-ray scattering (GISAXS) is increasingly used for the metrology of substrate-supported nanoscale features and nanostructured films. In the case of line gratings, where long objects are arranged with a nanoscale periodicity perpendicular to the beam, a series of characteristic spots of high-intensity (grating truncation rods, GTRs) are recorded on a two-dimensional detector. The intensity of the GTRs is modulated by the three-dimensional shape and arrangement of the lines. Previous studies aimed to extract an average cross-sectional profile of the gratings, attributing intensity loss at GTRs to sample imperfections. Such imperfections are just as important as the average shape when employing soft polymer gratings which display significant line-edge roughness. Herein are reported a series of GISAXS measurements of polymer line gratings over a range of incident angles. Both an average shape and fluctuations contributing to the intensity in between the GTRs are extracted. The results are critically compared with atomic force microscopy (AFM) measurements, and it is found that the two methods are in good agreement if appropriate corrections for scattering from the substrate (GISAXS) and contributions from the probe shape (AFM) are accounted for.

  17. Analysis of heavy metals and minerals elements in the turmeric using Total-Reflection X-ray Fluorescence analysis technique and Atomic Absorption Spectrometry

    International Nuclear Information System (INIS)

    Currently, many studies demonstrate anti-cancer and anti-inflammatory benefits of turmeric. The aims of this work is to perform analysis of metals such as calcium, chromium, manganese, iron, cobalt, nickel, copper, zinc, arsenic, bromine, rubidium, strontium, cadmium and lead in the turmeric collected from various places in Madagascar. The analysis by total reflection X-ray fluorescence technique is used to determine the concentrations of heavy metals, while the atomic absorption spectrometry is used for the determination of trace elements. Analysis results show that the concentration of calcium in the turmeric is very high, its average concentration is 1025.8 mg.kg-1. The average concentrations of manganese, of copper and of iron are respectively 44.7 mg.kg-1; 19.7 mg.kg-1 and 53.6 mg.kg-1. The average concentrations of zinc, of rubidium and of strontium are respectively 17.3 mg.kg-1; 35.2 mg.kg-1 and 21.7 mg.kg-1

  18. X-Ray Diffraction.

    Science.gov (United States)

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

    1980-01-01

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

  19. Medical X-Rays

    Science.gov (United States)

    ... The Conference of Radiation Control Program Directors (CRCPD) publishes Suggested State Regulations for the Control of Radiation , ... eSubmitter Guidance for Industry and Food and Drug Administration Staff - Assembler's Guide to Diagnostic X-Ray Equipment ...

  20. Chest X-Ray

    Medline Plus

    Full Text Available ... also be useful to help diagnose and monitor treatment for a variety of lung conditions such as pneumonia, emphysema and cancer. A chest x-ray requires no special preparation. ...

  1. Chest X-Ray

    Medline Plus

    Full Text Available ... However, it’s important to consider the likelihood of benefit to your health. While a chest x-ray use a tiny dose of ionizing radiation, the benefit of an accurate diagnosis far outweighs any risk. ...

  2. Chest X-Ray

    Medline Plus

    Full Text Available ... chest x-ray is used to evaluate the lungs, heart and chest wall and may be used ... diagnose and monitor treatment for a variety of lung conditions such as pneumonia, emphysema and cancer. A ...

  3. Chest X-Ray

    Medline Plus

    Full Text Available ... Angioplasty & vascular stenting Video: Arthrography Video: Contrast Material Radiology and You Take our survey About this Site ... radiologist explains chest x-ray. Transcript Welcome to Radiology Info dot org! Hello, I’m Dr. Geoffrey ...

  4. Chest X-Ray

    Medline Plus

    Full Text Available ... of ionizing radiation, the benefit of an accurate diagnosis far outweighs any risk. For more information about chest x-rays, visit Radiology Info dot org. Thank you for your time! ...

  5. Chest X-Ray

    Medline Plus

    Full Text Available ... Site Index A-Z Spotlight June is Men's Health Month Recently posted: Focused Ultrasound for Uterine Fibroids ... to consider the likelihood of benefit to your health. While a chest x-ray use a tiny ...

  6. X-ray tubes

    International Nuclear Information System (INIS)

    An improved form of x-ray tube is described which consists of a rotatable anode disc and an electron beam source enclosed in an envelope. The beam of electrons strikes the edge of the anode disc at an acute angle, producing x-rays which are transmitted through a window in the envelope. To improve performance and life of the anode disc it is additionally reciprocated back and forth along its axis of rotation. Dimensions are specified. (U.K.)

  7. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... around or in bones. top of page How should I prepare? Most bone x-rays require no ... might interfere with the x-ray images. Women should always inform their physician and x-ray technologist ...

  8. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... drawer under the table holds the x-ray film or image recording plate . Sometimes the x-ray ... extended over the patient while an x-ray film holder or image recording plate is placed beneath ...

  9. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... current x-ray images for diagnosis and disease management. top of page How is the procedure performed? ... standards used by radiology professionals. Modern x-ray systems have very controlled x-ray beams and dose ...

  10. New theoretical investigation resolving discrepancies of atomic form factors and attenuation coefficients in the near-edge soft x-ray regime

    International Nuclear Information System (INIS)

    Full text: Reliable knowledge of the complex X-ray form factor and the photoelectric attenuation coefficient is required for crystallography, medical diagnosis, refractive index studies and XAFS. Discrepancies between currently used theoretical approaches of 200% exist for numerous elements from 1 keV to 3 keV X-ray energies. This work derives new theoretical results in near-edge soft X-ray regions and improves upon the theoretical uncertainty in these regions by a factor of 10. This work was also reported in J.Phys.Chem.Ref.Data (2000)

  11. Nonlinear X-ray Compton Scattering

    OpenAIRE

    Fuchs, Matthias; Trigo, Mariano; 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

    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 ultrash...

  12. Electron density and electrostatic potential of KNiF3: multipole, orbital and topological analyses of vacuum-camera-imaging plate and four-circle diffractometer data.

    Science.gov (United States)

    Ivanov; Zhurova; Zhurov; Tanaka; Tsirelson

    1999-12-01

    The electron density and electrostatic potential of KNiF(3), nickel potassium trifluoride, were studied using multipole and orbital model treatment of the precision X-ray diffraction data measured by vacuum-camera-imaging plate and four-circle diffractometer methods. Different experimental methods lead to similar multipole and atomic displacement parameters and to qualitatively the same electron densities. Good agreement was also achieved for the Laplacians of the electron density and the electrostatic potentials. Some pitfalls of the vacuum-camera-imaging plate method that could be improved are discussed. PMID:10927434

  13. Atomic resolution mapping of the excited-state electronic structure of Cu2O with time-resolved x-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hillyard, P. W.; Kuchibhatla, S. V. N. T.; Glover, T. E.; Hertlein, M. P.; Huse, Nils; Nachimuthu, P.; Saraf, L. V.; Thevuthasan, S.; Gaffney, K. J.

    2010-05-02

    We have used time-resolved soft x-ray spectroscopy to investigate the electronic structure of optically excited cuprous oxide at the O K-edge and the Cu L3-edge. The 400 nm optical excitation shifts the Cu and O absorptions to lower energy, but does not change the integrated x-ray absorption significantly for either edge. The constant integrated x-ray absorption cross-section indicates that the conduction-band and valence-band edges have very similar Cu 3d and O 2p orbital contributions. The 2.1 eV optical band gap of Cu2O significantly exceeds the one eV shift in the Cu L3- and O K-edges absorption edges induced by optical excitation, demonstrating the importance of core-hole excitonic effects and valence electron screening in the x-ray absorption process.

  14. Measurements of the X-ray linear attenuation coefficient for low atomic number materials at energies 32-66 and 140 keV

    Science.gov (United States)

    Midgley, S. M.

    2005-03-01

    The X-ray linear attenuation coefficient was measured for materials containing elements hydrogen to calcium. Characteristic X-rays with energies 32- 66 keV were produced by X-ray fluorescence using a secondary target system, and 140 keV gamma rays were obtained from an unsealed 99 mTc source. The photon beams were highly collimated and recorded using energy dispersive detection. A high-purity germanium detector was utilised to distinguish between measurements with K α and K β characteristic X-rays, and the gamma ray measurements used a sodium iodide detector. Samples were selected on the basis of having known composition and mass densities were measured using a pycnometer. The samples comprised six plastics, seven crystalline materials, three tissue substitute materials, three liquids and six salt solutions. Our results have an uncertainty of less than 2% and are a few percent lower than values predicted by the tabulations.

  15. Measurements of the X-ray linear attenuation coefficient for low atomic number materials at energies 32-66 and 140 keV

    International Nuclear Information System (INIS)

    The X-ray linear attenuation coefficient was measured for materials containing elements hydrogen to calcium. Characteristic X-rays with energies 32-66 keV were produced by X-ray fluorescence using a secondary target system, and 140 keV gamma rays were obtained from an unsealed 99mTc source. The photon beams were highly collimated and recorded using energy dispersive detection. A high-purity germanium detector was utilised to distinguish between measurements with Kα and Kβ characteristic X-rays, and the gamma ray measurements used a sodium iodide detector. Samples were selected on the basis of having known composition and mass densities were measured using a pycnometer. The samples comprised six plastics, seven crystalline materials, three tissue substitute materials, three liquids and six salt solutions. Our results have an uncertainty of less than 2% and are a few percent lower than values predicted by the tabulations

  16. High-multipole excitations of hydrogen-like atoms by twisted photons near a phase singularity

    Science.gov (United States)

    Afanasev, Andrei; Carlson, Carl E.; Mukherjee, Asmita

    2016-07-01

    We calculate transition amplitudes and cross sections for excitation of hydrogen-like atoms by the twisted photon states, or photon states with angular momentum projection on the direction of propagation exceeding ℏ. If the target atom is located at distances of the order of atomic size near the phase singularity in the vortex center, the transition rates into the states with orbital angular momentum {l}f\\gt 1 become comparable with the rates for electric dipole transitions. It is shown that when the transition rates are normalized to the local photon flux, the resulting cross sections for {l}f\\gt 1 are singular near the optical vortex center. The relation to the ‘quantum core’ concept introduced by Berry and Dennis is discussed.

  17. High-Multipole Excitations of Hydrogen-Like Atoms by Twisted Photons near Phase Singularity

    CERN Document Server

    Afanasev, Andrei; Mukherjee, Asmita

    2016-01-01

    We calculate transition amplitudes and cross sections for excitation of hydrogen-like atoms by the twisted photon states, or photon states with angular momentum projection on the direction of propagation exceeding $\\hbar$. If the target atom is located at distances of the order of atomic size near the phase singularity in the vortex center, the transitions rates into the states with orbital angular momentum $l_f>1$ become comparable with the rates for electric dipole transitions. It is shown that when the transition rates are normalized to the local photon flux, the resulting cross sections for $l_f>1$ are singular near the optical vortex center. Relation to the "quantum core" concept introduced by Berry and Dennis is discussed.

  18. Resonant X-ray emission with a standing wave excitation.

    Science.gov (United States)

    Ruotsalainen, Kari O; Honkanen, Ari-Pekka; Collins, Stephen P; Monaco, Giulio; Moretti Sala, Marco; Krisch, Michael; Hämäläinen, Keijo; Hakala, Mikko; Huotari, Simo

    2016-01-01

    The Borrmann effect is the anomalous transmission of x-rays in perfect crystals under diffraction conditions. It arises from the interference of the incident and diffracted waves, which creates a standing wave with nodes at strongly absorbing atoms. Dipolar absorption of x-rays is thus diminished, which makes the crystal nearly transparent for certain x-ray wave vectors. Indeed, a relative enhancement of electric quadrupole absorption via the Borrmann effect has been demonstrated recently. Here we show that the Borrmann effect has a significantly larger impact on resonant x-ray emission than is observable in x-ray absorption. Emission from a dipole forbidden intermediate state may even dominate the corresponding x-ray spectra. Our work extends the domain of x-ray standing wave methods to resonant x-ray emission spectroscopy and provides means for novel spectroscopic experiments in d- and f-electron systems. PMID:26935531

  19. Resonant X-ray emission with a standing wave excitation

    Science.gov (United States)

    Ruotsalainen, Kari O.; Honkanen, Ari-Pekka; Collins, Stephen P.; Monaco, Giulio; Moretti Sala, Marco; Krisch, Michael; Hämäläinen, Keijo; Hakala, Mikko; Huotari, Simo

    2016-01-01

    The Borrmann effect is the anomalous transmission of x-rays in perfect crystals under diffraction conditions. It arises from the interference of the incident and diffracted waves, which creates a standing wave with nodes at strongly absorbing atoms. Dipolar absorption of x-rays is thus diminished, which makes the crystal nearly transparent for certain x-ray wave vectors. Indeed, a relative enhancement of electric quadrupole absorption via the Borrmann effect has been demonstrated recently. Here we show that the Borrmann effect has a significantly larger impact on resonant x-ray emission than is observable in x-ray absorption. Emission from a dipole forbidden intermediate state may even dominate the corresponding x-ray spectra. Our work extends the domain of x-ray standing wave methods to resonant x-ray emission spectroscopy and provides means for novel spectroscopic experiments in d- and f-electron systems. PMID:26935531

  20. On the combination of a low energy hydrogen atom beam with a cold multipole ion trap

    Energy Technology Data Exchange (ETDEWEB)

    Borodi, Gheorghe

    2008-12-09

    The first part of the activities of this thesis was to develop a sophisticated ion storage apparatus dedicated to study chemical processes with atomic hydrogen. The integration of a differentially pumped radical beam source into an existing temperature variable 22- pole trapping machine has required major modifications. Since astrophysical questions have been in the center of our interest, the introduction first gives a short overview of astrophysics and -chemistry. The basics of ion trapping in temperature variable rf traps is well-documented in the literature; therefore, the description of the basic instrument (Chapter 2) is kept rather short. Much effort has been put into the development of an intense and stable source for hydrogen atoms the kinetic energy of which can be changed. Chapter 3 describes this module in detail with emphasis on the integration of magnetic hexapoles for guiding the atoms and special treatments of the surfaces for reducing H-H recombination. Due to the unique sensitivity of the rf ion trapping technique, this instrument allows one to study a variety of reactions of astrochemical and fundamental interest. The results of this work are summarized in Chapter 4. Reactions of CO{sub 2}{sup +} with hydrogen atoms and molecules have been established as calibration standard for in situ determination of H and H{sub 2} densities over the full temperature range of the apparatus (10 K-300 K). For the first time, reactions of H- and D-atoms with the ionic hydrocarbons CH{sup +}, CH{sub 2}{sup +}, and CH{sub 4}{sup +} have been studied at temperatures of interstellar space. A very interesting, not yet fully understood collision system is the interaction of protonated methane with H. The outlook presents some ideas, how to improve the new instrument and a few reaction systems are mentioned which may be studied next. (orig.)

  1. On the combination of a low energy hydrogen atom beam with a cold multipole ion trap

    International Nuclear Information System (INIS)

    The first part of the activities of this thesis was to develop a sophisticated ion storage apparatus dedicated to study chemical processes with atomic hydrogen. The integration of a differentially pumped radical beam source into an existing temperature variable 22- pole trapping machine has required major modifications. Since astrophysical questions have been in the center of our interest, the introduction first gives a short overview of astrophysics and -chemistry. The basics of ion trapping in temperature variable rf traps is well-documented in the literature; therefore, the description of the basic instrument (Chapter 2) is kept rather short. Much effort has been put into the development of an intense and stable source for hydrogen atoms the kinetic energy of which can be changed. Chapter 3 describes this module in detail with emphasis on the integration of magnetic hexapoles for guiding the atoms and special treatments of the surfaces for reducing H-H recombination. Due to the unique sensitivity of the rf ion trapping technique, this instrument allows one to study a variety of reactions of astrochemical and fundamental interest. The results of this work are summarized in Chapter 4. Reactions of CO2+ with hydrogen atoms and molecules have been established as calibration standard for in situ determination of H and H2 densities over the full temperature range of the apparatus (10 K-300 K). For the first time, reactions of H- and D-atoms with the ionic hydrocarbons CH+, CH2+, and CH4+ have been studied at temperatures of interstellar space. A very interesting, not yet fully understood collision system is the interaction of protonated methane with H. The outlook presents some ideas, how to improve the new instrument and a few reaction systems are mentioned which may be studied next. (orig.)

  2. X-ray nanotomography

    Science.gov (United States)

    Sasov, Alexander

    2004-10-01

    A compact laboratory x-ray "nano-CT" scanner has been created for 3D non-invasive imaging with 150-200 nanometers 3D spatial resolution, using advanced x-ray technologies and specific physical phenomena for signal detection. This spatial resolution in volume terms is 3 orders better than can be achieved in synchrotron tomography, 5 orders better then in existing laboratory micro-CT instruments and 10-12 orders better in comparison to clinical CT. The instrument employs an x-ray source with a 300-400nm x-ray spot size and uses small-angle scattering to attain a detail detectability of 150-200nm. An object manipulator allows positioning and rotation with an accuracy of 150nm. The x-ray detector is based on an intensified CCD with single-photon sensitivity. A typical acquisition cycle for 3D reconstruction of the full object volume takes from 10 to 60 minutes, with the collection of several hundred angular views. Subsequent volumetric reconstruction produces results as a set of cross sections with isotropic voxel size down to 140 x 140 x 140nm, or as a 3D-model, which can be virtually manipulated and measured. This unique spatial resolution in non-invasive investigations gives previously unattainable 3D images in several application areas, such as composite materials, paper and wood microstructure, biomedical applications and others.

  3. X-ray Pulsars

    CERN Document Server

    Walter, Roland

    2016-01-01

    X-ray pulsars shine thanks to the conversion of the gravitational energy of accreted material to X-ray radiation. The accretion rate is modulated by geometrical and hydrodynamical effects in the stellar wind of the pulsar companions and/or by instabilities in accretion discs. Wind driven flows are highly unstable close to neutron stars and responsible for X-ray variability by factors $10^3$ on time scale of hours. Disk driven flows feature slower state transitions and quasi periodic oscillations related to orbital motion and precession or resonance. On shorter time scales, and closer to the surface of the neutron star, X-ray variability is dominated by the interactions of the accreting flow with the spinning magnetosphere. When the pulsar magnetic field is large, the flow is confined in a relatively narrow accretion column, whose geometrical properties drive the observed X-ray emission. In low magnetized systems, an increasing accretion rate allows the ignition of powerful explosive thermonuclear burning at t...

  4. Static electric multipole susceptibilities of the relativistic hydrogen-like atom in the ground state: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function

    CERN Document Server

    Szmytkowski, Radosław

    2016-01-01

    The ground state of the Dirac one-electron atom, placed in a weak, static electric field of definite $2^{L}$-polarity, is studied within the framework of the first-order perturbation theory. The Sturmian expansion of the generalized Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B 30 (1997) 825, erratum: 30 (1997) 2747] is used to derive closed-form analytical expressions for various far-field and near-nucleus static electric multipole susceptibilities of the atom. The far-field multipole susceptibilities --- the polarizabilities $\\alpha_{L}$, electric-to-magnetic cross-susceptibilities $\\alpha_{\\mathrm{E}L\\to\\mathrm{M}(L\\mp1)}$ and electric-to-toroidal-magnetic cross-susceptibilities $\\alpha_{\\mathrm{E}L\\to\\mathrm{T}L}$ --- are found to be expressible in terms of one or two non-terminating generalized hypergeometric functions ${}_{3}F_{2}$ with the unit argument. Counterpart formulas for the near-nucleus multipole susceptibilities --- the electric nuclear shielding constants $\\sigma_{\\mathrm{E}L\\to\\m...

  5. Comparison of a portable micro-X-ray fluorescence spectrometry with inductively coupled plasma atomic emission spectrometry for the ancient ceramics analysis

    International Nuclear Information System (INIS)

    Two multielement instrumental methods of analysis, micro X-ray fluorescence spectrometry (micro-XRF) and inductively coupled plasma atomic emission spectrometry (ICP-AES) were applied for the analysis of 7th and 5th century B.C. ancient ceramic sherds in order to evaluate the above two methods and to assess the potential to use the current compact and portable micro-XRF instrument for the in situ analysis of ancient ceramics. The distinguishing factor of interest is that micro-XRF spectrometry offers the possibility of a nondestructive analysis, an aspect of primary importance in the compositional analysis of cultural objects. Micro-XRF measurements were performed firstly directly on the ceramic sherds with no special pretreatment apart from surface cleaning (micro-XRF on sherds) and secondly on pressed pellet disks which were prepared for each ceramic sherd (micro-XRF on pellet). For the ICP-AES determination of elements, test solutions were prepared by the application of a microwave-assisted decomposition procedure in closed high-pressure PFA vessels. Also, the standard reference material SARM 69 was used for the efficiency calibration of the micro-XRF instrument and was analysed by both methods. In order to verify the calibration, the standard reference materials NCS DC 73332 and SRM620 as well as the reference materials AWI-1 and PRI-1 were analysed by micro-XRF. Elemental concentrations determined by the three analytical procedures (ICP-AES, micro-XRF on sherds and micro-XRF on pellets) were statistically treated by correlation analysis and Student's t-test (at the 95% confidence level)

  6. Transformation of amyloid-like fibers, formed from an elastin-based biopolymer, into a hydrogel: an X-ray photoelectron spectroscopy and atomic force microscopy study.

    Science.gov (United States)

    Flamia, R; Salvi, A M; D'Alessio, L; Castle, J E; Tamburro, A M

    2007-01-01

    Previous studies have revealed the propensity of elastin-based biopolymers to form amyloid-like fibers when dissolved in water. These are of interest when considered as "ancestral units" of elastin in which they represent the simplest sequences in the hydrophobic regions of the general type XxxGlyGlyZzzGly (Xxx, Zzz = Val, Leu). We normally refer to these biopolymers based on elastin or related to elastin units as "elastin-like polypeptides". The requirement of water for the formation of amyloids seems quite interesting and deserves investigation, the water representing the natural transport medium in human cells. As a matter of fact, the "natural" supramolecular organization of elastin is in the form of beaded-string-like filaments and not in the form of amyloids whose "in vivo" deposition is associated with some important human diseases. Our work is directed, therefore, to understanding the mechanism by which such hydrophobic sequences form amyloids and any conditions by which they might regress to a non-amyloid filament. The elastin-like sequence here under investigation is the ValGlyGlyValGly pentapeptide that has been previously analyzed both in its monomer and polymer form. In particular, we have focused our investigation on the apparent stability of amyloids formed from poly(ValGlyGlyValGly), and we have observed these fibers evolving to a hydrogel after prolonged aging in water. We will show how atomic force microscopy can be combined with X-ray photoelectron spectroscopy to gain an insight into the spontaneous organization of an elastin-like polypeptide driven by interfacial interactions. The results are discussed also in light of fractal-like assembly and their implications from a biomedical point of view. PMID:17206798

  7. X-ray astronomy

    International Nuclear Information System (INIS)

    This book contains the lectures, and the most important seminars held at the NATO meeting on X-Ray astronomy in Erice, July 1979. The meeting was an opportune forum to discuss the results of the first 8-months of operation of the X-ray satellite, HEAO-2 (Einstein Observatory) which was launched at the end of 1978. Besides surveying these results, the meeting covered extragalactic astronomy, including the relevant observations obtained in other portions of the electromagnetic spectrum (ultra-violet, optical, infrared and radio). The discussion on galactic X-ray sources essentially covered classical binaries, globular clusters and bursters and its significance to extragalactic sources and to high energy astrophysics was borne in mind. (orig.)

  8. Cascade effects on the polarization of He-like Fe 1s 2l - 1s2 X-ray line emission

    Energy Technology Data Exchange (ETDEWEB)

    Hakel, P; Mancini, R; Harris, C; Neill, P; Beiersdorfer, P; Csanak, G; Zhang, H

    2006-12-21

    We calculate X-ray line polarization degrees for cases with axial symmetry using a collisional-radiative magnetic-sublevel atomic kinetics model and the properties of multipole radiation fields. This approach is well-suited for problems where the alignment is determined by the competition between many atomic processes. We benchmark this method against polarization measurements performed at the Livermore electron beam ion trap, and we study the 3-to-2 cascade effects on the polarization of 2-to-1 lines in He-like Fe.

  9. Material Discriminated X-Ray CT System by Using New X-Ray Imager with Energy Discriminate Function

    Directory of Open Access Journals (Sweden)

    Toru Aoki

    2008-04-01

    Full Text Available Material discriminated X-ray CT system has been constructed by using conventional X-ray tube (white X-ray source and photon-counting X-ray imager as an application with energy band detection. We have already reported material identify X-ray CT using K-shell edge method elsewhere. In this report the principle of material discrimination was adapted the separation of electron-density and atomic number from attenuation coefficient mapping in X-ray CT reconstructed image in two wavelength X-ray CT method using white X-ray source and energy discriminated X-ray imager by using two monochrome X-ray source method. The measurement phantom was prepared as four kinds material rods (Carbon(C, Iron(Fe, Copper(Cu, Titanium(Ti rods of 3mm-diameter inside an aluminum(Al rod of 20mm-diameter. We could observed material discriminated X-ray CT reconstructed image, however, the discrimination properties were not good than two monochrome X-ray CT method. This results was could be explained because X-ray scattering, beam-hardening and so on based on white X-ray source, which could not observe in two monochrome X-ray CT method. However, since our developed CdTe imager can be detect five energy-bands at the same time, we can use multi-band analysis to decrease the least square error margin. We will be able to obtain more high separation in atomic number mapping in X-ray CT reconstructed image by using this system.

  10. Emission of $\\gamma$ Rays by X-ray Electron-Nuclear Double Transitions

    CERN Document Server

    Olariu, S; Zoran, V; Olariu, Silviu; Olariu, Agata; Zoran, Valeriu

    1997-01-01

    This paper is about induced gamma emission. The X-ray electron-nuclear double transitions (XENDT) are processes in which a transition effected by an inner atomic electron takes place simultaneously with a nuclear electromagnetic transition. We give expressions for the cross sections of electric and magnetic XENDTs of various multipole orders. We calculate the rate of deexcitation of isomeric nuclei induced by XENDTs for the case when the holes in the atomic shells are produced by incident ionizing electrons and find that the induced nuclear deexcitation rate becomes comparable to the natural decay rate for ionizing fluxes of the order of $10^{14}$ W cm$^{-2}$. We show that for E1 and M1 nuclear processes for which there is a matching between the electron and the nuclear transition energies, the XENDTs can be used to produce pulses of

  11. CRL X-RAY TUBE

    OpenAIRE

    Kolchevsky, N. N.; Petrov, P. V.

    2015-01-01

    A novel types of X-ray tubes with refractive lenses are proposed. CRL-R X-ray tube consists of Compound Refractive Lens- CRL and Reflection X-ray tube. CRL acts as X-ray window. CRL-T X-ray consists of CRL and Transmission X-ray tube. CRL acts as target for electron beam. CRL refractive lens acts as filter, collimator, waveguide and focusing lens. Properties and construction of the CRL X-ray tube are discussed.

  12. X-ray and inner-shell processes: Their impact on our understanding of atomic physics and atoms interacting with solids

    International Nuclear Information System (INIS)

    Atomic physics and the basic concepts of quantum theory have been probed in the last fifty years by using the techniques of optics and lasers in the visible range. The new powerful accelerators, storage rings, and various large scale devices, such as ion beams, synchrotron radiation, plasma confinement machines, powerful lasers, etc. developed by the nuclear physicists and high technology engineers have allowed, in the past three decades, new, unexpected and more general insights of atomic structure and more accurate checks of quantum mechanics. It is now possible to prepare any kind of atom or ion, having any number of electrons in any quantum states (atomic manipulations), and to trap or set them in defined places on surfaces. The study of these atomic species having electrons in any deep, or highly excited levels requires the use of electromagnetic transitions in a much wider range of wavelengths than in optics, and, because most of the time they are in autoionizing states, of Auger spectrometry. It is the purpose of this talk to review some of the most salient discoveries in the field since this time, to present some of the most recent and exciting results obtained in the last decade, and future prospects

  13. Atomic layer deposition of ultrathin Cu2O and subsequent reduction to Cu studied by in situ x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    The growth of ultrathin (<5 nm) Ru-doped Cu2O films deposited on SiO2 by atomic layer deposition (ALD) and Cu films by subsequent reduction of the Cu2O using HCO2H or CO is reported. Ru-doped Cu2O has been deposited by a mixture of 16: 99 mol. % of [(nBu3P)2Cu(acac)] as Cu precursor and 17: 1 mol. % of [Ru(η5-C7H11)(η5-C5H4SiMe3)] as Ru precursor. The catalytic amount of Ru precursor was to support low temperature reduction of Cu2O to metallic Cu by formic acid (HCO2H) on arbitrary substrate. In situ x-ray photoelectron spectroscopy investigations of the Cu2O ALD film indicated nearly 1 at. % of carbon contamination and a phosphorous contamination below the detection limit after sputter cleaning. Systematic investigations of the reduction of Ru-doped Cu2O to metallic Cu by HCO2H or CO as reducing agents are described. Following the ALD of 3.0 nm Cu2O, the ultrathin films are reduced between 100 and 160 °C. The use of HCO2H at 110 °C enabled the reduction of around 90% Cu2O. HCO2H is found to be very effective in the removal of oxygen from Ru-doped Cu2O films with 2.5–4.7 nm thickness. In contrast, CO was effective for the removal of oxygen from the Cu2O films only below 3.0 nm at 145 °C. Root mean square surface roughness of 0.4 ± 0.1 nm was observed from atomic force microscopy (AFM) investigations after the ALD of Cu2O, followed by the subsequent reduction of 3.0 nm Cu2O using either HCO2H at 110 °C or CO at 145 °C on SiO2. Furthermore, ex situ low energy ion scattering and AFM investigations confirmed that the Cu2O film after ALD and Cu films after subsequent reduction was continuous on the SiO2 substrate

  14. X-ray astronomical spectroscopy

    Science.gov (United States)

    Holt, Stephen S.

    1987-01-01

    The contributions of the Goddard group to the history of X-ray astronomy are numerous and varied. One role that the group has continued to play involves the pursuit of techniques for the measurement and interpretation of the X-ray spectra of cosmic sources. The latest development is the selection of the X-ray microcalorimeter for the Advanced X-ray Astrophysics Facility (AXAF) study payload. This technology is likely to revolutionize the study of cosmic X-ray spectra.

  15. Measurement of the x-ray mass attenuation coefficient and determination of the imaginary component of the atomic form factor of molybdenum over the 13.5-41.5-keV energy range

    International Nuclear Information System (INIS)

    We use the x-ray extended-range technique (XERT) [Chantler et al., Phys. Rev. A 64, 062506 (2001)] to measure the mass attenuation coefficients of molybdenum in the x-ray energy range of 13.5-41.5 keV to 0.02-0.15 % accuracy. Measurements made over an extended range of the measurement parameter space are critically examined to identify, quantify, and correct where necessary a number of experimental systematic errors. These results represent the most extensive experimental data set for molybdenum and include absolute mass attenuation coefficients in the regions of the x-ray absorption fine structure (XAFS) and x-ray-absorption near-edge structure (XANES). The imaginary component of the atomic form-factor f2 is derived from the photoelectric absorption after subtracting calculated Rayleigh and Compton scattering cross sections from the total attenuation. Comparison of the result with tabulations of calculated photoelectric absorption coefficients indicates that differences of 1-15 % persist between the calculated and observed values

  16. Atomic structure of glassy Mg60Cu30Y10 investigated with EXAFS, x-ray and neutron diffraction, and reverse Monte Carlo simulations

    DEFF Research Database (Denmark)

    Jovari, P.; Saksl, K.; Pryds, Nini;

    2007-01-01

    Short range order of amorphous Mg60Cu30Y10 was investigated by x-ray and neutron diffraction, Cu and Y K-edge x-ray absorption fine structure measurements, and the reverse Monte Carlo simulation technique. We found that Mg-Mg and Mg-Cu nearest neighbor distances are very similar to values found in...... studied by differential scanning calorimetry and in situ x-ray powder diffraction. The alloy shows a glass transition and three crystallization events, the first and dominant one at 456 K corresponding to eutectic crystallization of at least three phases: Mg2Cu and most likely cubic MgY and CuMgY....

  17. Atomic structure of glassy Mg60Cu30Y10 investigated with EXAFS, x-ray and neutron diffraction, and reverse Monte Carlo simulations

    DEFF Research Database (Denmark)

    Jovari, P.; Saksl, K.; Pryds, Nini;

    2007-01-01

    Short range order of amorphous Mg60Cu30Y10 was investigated by x-ray and neutron diffraction, Cu and Y K-edge x-ray absorption fine structure measurements, and the reverse Monte Carlo simulation technique. We found that Mg-Mg and Mg-Cu nearest neighbor distances are very similar to values found...... studied by differential scanning calorimetry and in situ x-ray powder diffraction. The alloy shows a glass transition and three crystallization events, the first and dominant one at 456 K corresponding to eutectic crystallization of at least three phases: Mg2Cu and most likely cubic MgY and CuMgY....

  18. X- rays and matter- the basic interactions

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens

    2008-01-01

    In this introductory article we attempt to provide the theoretical basis for developing the interaction between X-rays and matter, so that one can unravel properties of matter by interpretation of X-ray experiments on samples. We emphasize that we are dealing with the basics, which means that we...... shall limit ourselves to a discussion of the interaction of an X-ray photon with an isolated atom, or rather with a single electron in a Hartree-Fock atom. Subsequent articles in this issue deal with more complicated - and interesting - forms of matter encompassing many atoms or molecules. To cite this...... article: J. Als-Nielsen, C. R. Physique 9 (2008). Udgivelsesdato: 18 April...

  19. X-ray apparatus

    International Nuclear Information System (INIS)

    The invention discloses an X-ray apparatus that can be used for tomography with the aid of a computer. With this apparatus plus computer, it is possible to quickly achieve the required edge values whereby the influence of the movement is diminished

  20. Chest X-Ray

    Medline Plus

    Full Text Available ... Pediatric Ultrasound Video: Angioplasty & vascular stenting Video: Arthrography Radiology and You About this Site RadiologyInfo.org is ... radiologist explains chest x-ray. Transcript Welcome to Radiology Info dot org! Hello, I’m Dr. Geoffrey ...

  1. Medical x-ray

    International Nuclear Information System (INIS)

    This book describes the fundamental subject about medical radiography. It is a multidisciplinary field that requires cross professional input from scientists, engineers and medical doctors. However, it is presented in simple language to suit different levels of readers from x-ray operators and radiographers to physists, general practitioners and radiology specialists.The book is written in accordance to the requirements of the standard syllabus approved by the Ministry of Health Malaysia for the training of medical x-ray operator and general practitioners. In general, the content is not only designed to provide relevant and essential subject for related professionals in medical radiological services such as x-ray operator, radiographer and radiologists, but also to address those in associated radiological services including nurses, medical technologists and physicists.The book is organized and arranged sequentially into 3 parts for easy reference: Radiation safety; X-ray equipment and associated facilities; Radiography practices. With proper grasping of all these parts, the radiological services could be provided with confident and the highest professional standard. Thus, medical imaging with highest quality that can provide useful diagnostic information at minimum doses and at cost effective could be assured

  2. Chest X-Ray

    Medline Plus

    Full Text Available ... this Site RadiologyInfo.org is produced by: Image/Video Gallery Your radiologist explains chest x-ray. Transcript ... Recently posted: Focused Ultrasound for Uterine Fibroids Dementia Video: General Ultrasound Video: Pediatric Nuclear Medicine Radiology and ...

  3. Chest X-Ray

    Medline Plus

    Full Text Available ... this Site RadiologyInfo.org is produced by: Image/Video Gallery Your radiologist explains chest x-ray. Transcript ... time! Spotlight Recently posted: Pediatric MRI Intravascular Ultrasound Video: Chest CT Video:Thyroid Ultrasound Video: Head CT ...

  4. Pyroelectric x-ray detectors and x-ray pyrometers

    International Nuclear Information System (INIS)

    This paper discusses pyroelectric detectors which are very promising x-ray detectors for intense pulsed x-ray/γ-ray measurements and can be used as x-ray pyrometers. They are fast, passive, and inherently flat in spectral response for low energy x-rays. The authors report tests of LiTaO3, Sr.5Ba.5Nb2O6 and LiNbO3 detectors at Nova laser with 1 ns low energy x-rays and at Zapp Z-pinch machine with 100 ns x-rays. The temporal and spectral responses are discussed

  5. Pyroelectric x-ray detectors and x-ray pyrometers

    International Nuclear Information System (INIS)

    Pyroelectric detectors are very promising x-ray detectors for intense pulsed x-ray/γ-ray measurements and can be used as x-ray pyrometers. They are fast, passive, and inherently flat in spectral response for low-energy x rays. We report our tests of LiTaO3 detectors at Nova laser with 1-ns low-energy x rays and at Zapp Z-pinch machine with 100-ns x rays. The temporal and spectral responses are discussed

  6. TYPING SUPERNOVA REMNANTS USING X-RAY LINE EMISSION MORPHOLOGIES

    International Nuclear Information System (INIS)

    We present a new observational method to type the explosions of young supernova remnants (SNRs). By measuring the morphology of the Chandra X-ray line emission in 17 Galactic and Large Magellanic Cloud SNRs with a multipole expansion analysis (using power ratios), we find that the core-collapse SNRs are statistically more asymmetric than the Type Ia SNRs. We show that the two classes of supernovae can be separated naturally using this technique because X-ray line morphologies reflect the distinct explosion mechanisms and structure of the circumstellar material. These findings are consistent with recent spectropolarimetry results showing that core-collapse supernovae explosions are intrinsically more asymmetric.

  7. Structural refinement and extraction of hydrogen atomic positions in polyoxymethylene crystal based on the first successful measurements of 2-dimensional high-energy synchrotron X-ray diffraction and wide-angle neutron diffraction patterns of hydrogenated and deuterated species

    International Nuclear Information System (INIS)

    2-Dimensional X-ray and neutron diffraction patterns have been successfully measured for deuterated and hydrogenated polyoxymethylene (POM) samples obtained by γ-ray induced solid-state polymerization reaction. More than 700 reflections were collected from the X-ray diffraction data at -150degC by utilizing a high-energy synchrotron X-ray beam at SPring-8, Japan, from which the crystal structure of POM has been refined thoroughly including the extraction of hydrogen atomic positions at clearly seen in the difference Fourier synthesis map. As the first trial the nonuniform (9/5) helical model was analyzed with the reliability factor (R factor) 6.9%. The structural analysis was made also using the X-ray reflections of about 400 observed at room temperature (R 8.8%), and the thermal parameters of constituent atoms were compared between the low and high temperatures to discuss the librational thermal motion of the chains. The 2-dimensional neutron diffraction data, collected for the deuterated and hydrogenated POM samples using an imaging plate system specifically built-up for neutron scattering experiment, have allowed us to pick up the D and H atomic positions clearly in the Fourier synthesis maps. Another possible model, (29/16) helix, which was proposed by several researches, has been also investigated on the basis of the X-ray diffraction data at -150degC. The direct method succeeded in extracting this (29/16) model straightforwardly. The R factor was 8.6%, essentially the same as that of (9/5) helical model. This means that the comparison of the diffraction intensity between the data collected from the full-rotation X-ray diffraction pattern and the intensity calculated for both the (9/5) and (29/16) models cannot be used for the unique determination of the superiority of the model, (9/5) or (29/16) helix. However, we have found the existence of 001 and 002 reflections which give the longer repeating period 55.7 A. Besides there observed a series of meridional

  8. Tokamak Spectroscopy for X-Ray Astronomy

    Science.gov (United States)

    Fournier, Kevin B.; Finkenthal, M.; Pacella, D.; May, M. J.; Soukhanovskii, V.; Mattioli, M.; Leigheb, M.; Rice, J. E.

    2000-01-01

    This paper presents the measured x-ray and Extreme Ultraviolet (XUV) spectra of three astrophysically abundant elements (Fe, Ca and Ne) from three different tokamak plasmas. In every case, each spectrum touches on an issue of atomic physics that is important for simulation codes to be used in the analysis of high spectral resolution data from current and future x-ray telescopes. The utility of the tokamak as a laboratory test bed for astrophysical data is demonstrated. Simple models generated with the HULLAC suite of codes demonstrate how the atomic physics issues studied can affect the interpretation of astrophysical data.

  9. The determination of major and some minor constituents in lead zirconate-titanate compositions by x-ray fluorescence and atomic absorption spectrometry

    NARCIS (Netherlands)

    Willigen, van J.H.H.G.; Kruidhof, H.; Dahmen, E.A.M.F.

    1972-01-01

    An accurate X-ray fluorescence spectrometric method is described for the determination of lead, zirconium and titanium in lead zirconate-titanate ceramics. Careful matching of samples and standards by a borax fusion method resulted in a relative standard deviation of about 0.2% for the major constit

  10. Technology development for soft X-ray spectroscopy

    Science.gov (United States)

    Törmä, P. T.; Sipilä, H. J.; Koskinen, T.; Mattila, M.

    2016-05-01

    X-ray spectroscopy instruments lose part of their performance due to the lack of suitable components for soft X-ray region below 1 keV. Therefore, in the analysis of low atomic number elements including lithium, beryllium, boron and carbon instrument sensitivity is often limited. In this work we describe how the performance of the spectroscopy of soft X-rays is significantly improved when all devices integrated in the spectroscopic instrument are suitable for both soft and hard X-rays. This concept is based on utilizing ultra-thin SiN X-ray windows with proven performance not only as a detector window but also as an X-ray source window. By including a soft-X-ray-sensitive silicon drift detector with efficient surface charge collection in this concept the sensitivity and performance of the instrument is significantly increased.

  11. X-ray microtomography

    International Nuclear Information System (INIS)

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

  12. X-ray generators

    International Nuclear Information System (INIS)

    Volume 4 provides a comparative survey on generators for stationary applications as available on the German market. It provides decision-making tools, physical characteristics, suggestions for radiation protection and for safe appliance operation as well as a concept for inspections all of which have been developed jointly by physicians of various specialities, physicists, engineers, business men, hospital experts and medicotechnical X-ray staff on the basis of a well-tried working concept. The systematic representation of correlations relevant to decision-making processes is based on a profile of technico-physical characteristics (standard product information) which was established by way of interdisciplinary dialog and which will enable any hospital or clinic to easily equip its X-ray department in an economic and purposeful way. The information on device data, device descriptions and market survey furnish the data tested by the manufacturers without guarantee and subject to correction. (orig./HP)

  13. X-ray lithography

    International Nuclear Information System (INIS)

    An invention relating to the development of photo-resists used in X-ray lithography is described. A COP resist which has been exposed to X-ray radiation, is developed with methyl ethyl ketone (MEK) developer and an ethanol solvent. The resist is first developed in a strong developing solution and then with a weaker developer whose concentration is slightly above that required to obtain complete development. Preferably the resist is exposed so as to obtain about a fifty per cent developed thickness and the developing is carried out in steps, the first with a concentration of 5:1.8 (MEK to ethanol) for five seconds, the second using concentrations of 5:1.8 and 5:2.7 for ten seconds and the third with a concentration of 5:2.7 for five seconds. (author)

  14. A study of K shell X-ray intensity ratios of NixCr1−x alloys in external magnetic field and determination of effective atomic numbers of these alloys

    International Nuclear Information System (INIS)

    In this study, the effect of external magnetic field on the Kβ/Kα X-ray intensity ratios of various alloy compositions of Ni–Cr transition metal alloys has been investigated. The Kα and Kβ emission spectra of Ni, Cr and NixCr1−x (x=0.40; 0.50; 0.60; 0.80) alloys were measured by using a Si (Li) solid-state detector. Kβ/Kα X-ray intensity ratios of Ni, Cr and NixCr1−x alloys without magnetic field and in 0.5 and 1 T external magnetic field have been measured following excitation by 59.5 keV γ-rays from a 200 mCi241Am radioisotope point source. When the experimental data obtained in external magnetic field have been compared with data without external magnetic field, deviations have been observed in Kβ/Kα X-ray intensity ratios for Ni and Cr in different alloy compositions. Thus, results of these measurements have shown that Kβ/Kα X-ray intensity ratios of Ni and Cr in NixCr1−x alloys are dependent on the external magnetic field. Also the total mass attenuation coefficients for pure 3d transition metals and their alloys at different compositions were measured and theoretically estimated using mixture rule for selected photon energy. Later on, total atomic and electronic cross-sections and effective atomic number for alloys are determined experimentally and theoretically using these mass attenuation coefficients. When these parameters are examined depending on the alloy compositions, thereof have been found to vary with the alloy composition. - Highlights: • The external magnetic field effect on the K X-ray intensity ratios of some Ni–Cr alloys is investigated. • The changes on Kβ/Kα X-ray intensity ratios of the alloys are observed depending on concentrations of the elements constituting the alloys and external magnetic field intensity. • The Ze is depending on the concentrations of the elements constituting the alloys

  15. Local structure around Pd atoms in Pd42.5Ni7.5Cu30P20 excellent glass-former studied by anomalous X-ray scattering

    International Nuclear Information System (INIS)

    In order to study local structure around the Pd atoms in Pd42.5Ni7.5Cu30P20 excellent metallic glass-former, an anomalous X-ray scattering (AXS) experiment was performed at energies close to the Pd K absorption edge at the beamline BM02 of the European Synchrotron Radiation Facility. The differential structure factor, ΔPdS(Q), was obtained with a good statistical quality, which demonstrates that a pre-shoulder at about 20nm-1, indicating the existence of an intermediate-range order, originates from the Pd-Pd atomic correlation. The first peak in the differential pair correlation function, ΔPdg(r), shows a longer inter-atomic length around the Pd atoms than the average value. The local structure around the Pd atoms is discussed in detail by comparing to the previous experiments of AXS and electronic structure. (author)

  16. Mass attenuation coefficient (μ/ρ), effective atomic number (Z{sub eff}) and measurement of x-ray energy spectra using based calcium phosphate biomaterials: a comparative study

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes Z, M. A.; Da Silva, T. A.; Nogueira, M. S. [Centro de Desenvolvimento da Tecnologia Nuclear / CNEN, Pte. Antonio Carlos 6627, Belo Horizonte 31270-901, Minas Gerais (Brazil); Goncalves Z, E., E-mail: madelon@cdtn.br [Pontifice Catholic University of Minas Gerais, Av. Dom Jose Gaspar 500, Belo Horizonte 30535-901, Minas Gerais (Brazil)

    2015-10-15

    In dentistry, alveolar bone regeneration procedures using based calcium phosphate biomaterials have been shown effective. However,there are not reports in the literature of studies the interaction of low energy radiation in these biomaterials used as attenuator and not being then allowed a comparison between the theoretical values and experimental.The objective of this study was to determine the interaction of radiation parameters of four dental biomaterials - BioOss, Cerasorb M Dental, Straumann Boneceramic and Osteogen for diagnostic radiology qualities. As a material and methods, the composition of the biomaterials was determined by the analytical techniques. The samples with 0.181 cm to 0,297 cm thickness were experimentally used as attenuators for the measurement of the transmitted X-rays spectra in X-ray equipment with 50 to 90 kV range by spectrometric system comprising the Cd Te detector. After this procedure, the mass attenuation coefficient, the effective atomic number were determined and compared between all the specimens analyzed, using the program WinXCOM in the range of 10 to 200 keV. In all strains examined observed that the energy spectrum of x-rays transmitted through the BioOss has the mean energy slightly smaller than the others biomaterials for close thickness. The μ/ρ and Z{sub eff} of the biomaterials showed its dependence on photon energy and atomic number of the elements of the material analyzed. It is concluded according to the methodology employed in this study that the measurements of x-ray spectrum, μ/ρ and Z{sub eff} using biomaterials as attenuators confirmed that the thickness, density, composition of the samples, the incident photon energy are factors that determine the characteristics of radiation in a tissue or equivalent material. (Author)

  17. Atomic layer deposition of ultrathin Cu{sub 2}O and subsequent reduction to Cu studied by in situ x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dhakal, Dileep [Center for Microtechnologies—ZfM, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Assim, Khaybar; Lang, Heinrich [Institute of Chemistry, Inorganic Chemistry, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Bruener, Philipp; Grehl, Thomas [ION-TOF GmbH, Heisenbergstr. 15, D-48149 Münster (Germany); Georgi, Colin; Waechtler, Thomas; Ecke, Ramona; Schulz, Stefan E., E-mail: stefan.schulz@zfm.tu-chemnitz.de; Gessner, Thomas [Center for Microtechnologies—ZfM, Technische Universität Chemnitz, D-09107 Chemnitz, Germany and Fraunhofer Institute for Electronic Nano Systems—ENAS, Technologie-Campus 3, D-09126 Chemnitz (Germany)

    2016-01-15

    The growth of ultrathin (<5 nm) Ru-doped Cu{sub 2}O films deposited on SiO{sub 2} by atomic layer deposition (ALD) and Cu films by subsequent reduction of the Cu{sub 2}O using HCO{sub 2}H or CO is reported. Ru-doped Cu{sub 2}O has been deposited by a mixture of 16: 99 mol. % of [({sup n}Bu{sub 3}P){sub 2}Cu(acac)] as Cu precursor and 17: 1 mol. % of [Ru(η{sup 5}-C{sub 7}H{sub 11})(η{sup 5}-C{sub 5}H{sub 4}SiMe{sub 3})] as Ru precursor. The catalytic amount of Ru precursor was to support low temperature reduction of Cu{sub 2}O to metallic Cu by formic acid (HCO{sub 2}H) on arbitrary substrate. In situ x-ray photoelectron spectroscopy investigations of the Cu{sub 2}O ALD film indicated nearly 1 at. % of carbon contamination and a phosphorous contamination below the detection limit after sputter cleaning. Systematic investigations of the reduction of Ru-doped Cu{sub 2}O to metallic Cu by HCO{sub 2}H or CO as reducing agents are described. Following the ALD of 3.0 nm Cu{sub 2}O, the ultrathin films are reduced between 100 and 160 °C. The use of HCO{sub 2}H at 110 °C enabled the reduction of around 90% Cu{sub 2}O. HCO{sub 2}H is found to be very effective in the removal of oxygen from Ru-doped Cu{sub 2}O films with 2.5–4.7 nm thickness. In contrast, CO was effective for the removal of oxygen from the Cu{sub 2}O films only below 3.0 nm at 145 °C. Root mean square surface roughness of 0.4 ± 0.1 nm was observed from atomic force microscopy (AFM) investigations after the ALD of Cu{sub 2}O, followed by the subsequent reduction of 3.0 nm Cu{sub 2}O using either HCO{sub 2}H at 110 °C or CO at 145 °C on SiO{sub 2}. Furthermore, ex situ low energy ion scattering and AFM investigations confirmed that the Cu{sub 2}O film after ALD and Cu films after subsequent reduction was continuous on the SiO{sub 2} substrate.

  18. X-ray microscopy of live biological micro-organisms

    Science.gov (United States)

    Raja Al-Ani, Ma'an Nassar

    Real-time, compact x-ray microscopy has the potential to benefit many scientific fields, including microbiology, pharmacology, organic chemistry, and physics. Single frame x-ray micro-radiography, produced by a compact, solid-state laser plasma source, allows scientists to use x-ray emission for elemental analysis, and to observe biological specimens in their natural state. In this study, x-ray images of mouse kidney tissue, live bacteria, Pseudomonas aeruginosa and Burkholderia cepacia, and the bacteria's interaction with the antibiotic gentamicin, are examined using x-ray microscopy. For the purposes of comparing between confocal microscopy and x-ray microscopy, we introduced to our work the technique of gold labeling. Indirect immunofluorescence staining and immuno-gold labeling were applied on human lymphocytes and human tumor cells. Differential interference contrast microscopy (DIC) showed the lymphocyte body and nucleus, as did x-ray microscopy. However, the high resolution of x-ray microscopy allows us to differentiate between the gold particles bound to the antibodies and the free gold. A compact, tabletop Nd: glass laser is used in this study to produce x-rays from an Yttrium target. An atomic force microscope is used to scan the x-ray images from the developed photo-resist. The use of compact, tabletop laser plasma sources, in conjunction with x-ray microscopy, is a new technique that has great potential as a flexible, user-friendly scientific research tool.

  19. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... foot. top of page What are some common uses of the procedure? A bone x-ray is ... care is taken during x-ray examinations to use the lowest radiation dose possible while producing the ...

  20. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... current x-ray images for diagnosis and disease management. top of page How is the procedure performed? ... top of page What are the benefits vs. risks? Benefits Bone x-rays are the fastest and ...

  1. Dental X-ray apparatus

    International Nuclear Information System (INIS)

    Intra-oral dental X-ray apparatus for panoramic radiography is described in detail. It comprises a tubular target carrier supporting at its distal end a target with an inclined forward face. Image definition is improved by positioning in the path of the X-rays a window of X-ray transmitting ceramic material, e.g. 90% oxide of Be, or Al, 7% Si02. The target carrier forms a probe which can be positioned in the patient's mouth. X-rays are directed forwardly and laterally of the target to an X-ray film positioned externally. The probe is provided with a detachable sleeve having V-form arms of X-ray opaque material which serve to depress the tongue out of the radiation path and also shield the roof of the mouth and other regions of the head from the X-ray pattern. A cylindrical lead shield defines the X-ray beam angle. (author)

  2. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... current x-ray images for diagnosis and disease management. top of page How is the procedure performed? ... position possible that still ensures x-ray image quality. top of page Who interprets the results and ...

  3. Soft X-ray Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Seely, John

    1999-05-20

    The contents of this report cover the following: (1) design of the soft x-ray telescope; (2) fabrication and characterization of the soft x-ray telescope; and (3) experimental implementation at the OMEGA laser facility.

  4. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... and x-rays. A Word About Minimizing Radiation Exposure Special care is taken during x-ray examinations ... patient's body not being imaged receive minimal radiation exposure. top of page What are the limitations of ...

  5. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... images for evaluation. National and international radiology protection organizations continually review and update the technique standards used by radiology professionals. Modern x-ray systems have very controlled x-ray beams and dose ...

  6. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... fracture. guide orthopedic surgery, such as spine repair/fusion, joint replacement and fracture reductions. look for injury, ... and Media Arthritis X-ray, Interventional Radiology and Nuclear Medicine Radiation Safety Images related to X-ray ( ...

  7. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... As a result, bones appear white on the x-ray, soft tissue shows up in shades of gray and air appears black. Until recently, x-ray images were maintained on large film sheets (much ...

  8. Panoramic Dental X-Ray

    Science.gov (United States)

    ... Physician Resources Professions Site Index A-Z Panoramic Dental X-ray Panoramic dental x-ray uses a ... a large photographic negative). Today, most images are digital files that are stored electronically. These stored images ...

  9. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... that helps physicians diagnose and treat medical conditions. Imaging with x-rays involves exposing a part of ... oldest and most frequently used form of medical imaging. A bone x-ray makes images of any ...

  10. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... wrist, arm, elbow, shoulder, spine, pelvis, hip, thigh, knee, leg (shin), ankle or foot. top of page ... the patient standing upright, as in cases of knee x-rays. A portable x-ray machine is ...

  11. Active X-ray Optics

    Czech Academy of Sciences Publication Activity Database

    Hudec, René; Inneman, A.; Pina, L.; Černá, D.; Tichý, V.

    Bellingham: SPIE, 2013 - (Juha, L.; Bajt, S.; London, R.; Hudec, R.; Pína, L.), 877718/1-877718/7. (Proceedings of SPIE. 8777). ISBN 9780819495792. [Damage to VUV, EUV, and X-ray Optics IV; and EUV and X-ray Optics: Synergy between Laboratory and Space III. Praha (CZ), 15.04.2013-18.04.2013] Institutional support: RVO:67985815 Keywords : X-ray optics * active optics * active X-ray optics Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics

  12. Theory of excitation of He-like and Li-like atomic sublevels by directive electrons: application to x-ray line polarisation

    International Nuclear Information System (INIS)

    The presence of an axially symmetric angular distribution of energetic electrons in hot plasmas can be detected by measuring the linear polarisation of the x-ray lines emitted from collisionally excited levels of multiply charged ions. The authors have evaluated the degree of linear polarisation of Fe24+ resonance lines and Fe23+ inner-shell excitation satellite lines observed in soft x-ray emission of solar flares and tokamaks. Collision strengths for exciting upper line magnetic sublevels were calculated using a distorted-wave method for the electron impact energy range up to 20 times the excitation threshold. It is shown how a plasma diagnostics of these non-Maxwellian electrons can be derived in a practical case. (author)

  13. Parametric X-Ray Radiation

    Science.gov (United States)

    Shchagin, Alexander

    1997-10-01

    The main PXR properties [1,2] are considered in the paper: energy, width, smooth tuning of monochromatic PXR spectral line; fine structure and absolute differential yields of PXR in the vicinity of and at angular distances from Brag directions; angular spread of the PXR beam; the influence of incident electron energy and of the density effect on the PXR properties; linear polarization of PXR; background in PXR spectra. Experimental setups for linacs and the results of measurements are discussed. Experimental data are compared to theoretical calculations at PXR energies between 5 and 400 keV for incident electron energies ranging from 15 to 1200 MeV. Possible applications of PXR as a new source of a bright, tunable X-ray beam in science and industry are discussed. [1] A.V. Shchagin and N.A. Khizhnyak, NIM B119, 115-122 (1996). [2] A.V. Shchagin and X.K. Maruyama, "Parametric X-rays", a chapter in the book "Accelerator-based Atomic Physics Techniques and Applications", edited by S.M. Shafroth and J.C. Austin, AIP Press, 1997, pp 279-307.

  14. Fourier-transform Ghost Imaging with Hard X-rays

    OpenAIRE

    Hong YU; Lu, Ronghua; Han, Shensheng; Xie, Honglan; Du, Guohao; Xiao, Tiqiao; Zhu, Daming

    2016-01-01

    Knowledge gained through X-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. Atomic details of sample structures is achievable by X-ray crystallography, however, it is only applied to crystalline structures. Imaging techniques based on X-ray coherent diffraction or zone plates are capable of resolving the internal structure of non-crystalline materials at nanoscales, but it is still ...

  15. X-ray Crystallography Facility

    Science.gov (United States)

    2000-01-01

    Edward Snell, a National Research Council research fellow at NASA's Marshall Space Flight Center (MSFC), prepares a protein crystal for analysis by x-ray crystallography as part of NASA's structural biology program. The small, individual crystals are bombarded with x-rays to produce diffraction patterns, a map of the intensity of the x-rays as they reflect through the crystal.

  16. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... lies. A drawer under the table holds the x-ray film or image recording plate . Sometimes the x-ray ... that is extended over the patient while an x-ray film holder or image recording plate is placed beneath ...

  17. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... x-rays. top of page What does the equipment look like? The equipment typically used for bone x-rays consists of ... and joint abnormalities, such as arthritis. X-ray equipment is relatively inexpensive and widely available in emergency ...

  18. Tunable X-ray source

    Science.gov (United States)

    Boyce, James R.

    2011-02-08

    A method for the production of X-ray bunches tunable in both time and energy level by generating multiple photon, X-ray, beams through the use of Thomson scattering. The method of the present invention simultaneously produces two X-ray pulses that are tunable in energy and/or time.

  19. X-Ray Exam: Ankle

    Science.gov (United States)

    ... Tropical Delight: Melon Smoothie Pregnant? Your Baby's Growth X-Ray Exam: Ankle KidsHealth > For Parents > X-Ray Exam: Ankle Print A A A Text Size ... español Radiografía: tobillo What It Is An ankle X-ray is a safe and painless test that uses ...

  20. X-Ray Exam: Finger

    Science.gov (United States)

    ... Tropical Delight: Melon Smoothie Pregnant? Your Baby's Growth X-Ray Exam: Finger KidsHealth > For Parents > X-Ray Exam: Finger Print A A A Text Size ... español Radiografía: dedo What It Is A finger X-ray is a safe and painless test that uses ...

  1. X-Ray Exam: Wrist

    Science.gov (United States)

    ... Tropical Delight: Melon Smoothie Pregnant? Your Baby's Growth X-Ray Exam: Wrist KidsHealth > For Parents > X-Ray Exam: Wrist Print A A A Text Size ... español Radiografía: muñeca What It Is A wrist X-ray is a safe and painless test that uses ...

  2. X-Ray Exam: Hip

    Science.gov (United States)

    ... Tropical Delight: Melon Smoothie Pregnant? Your Baby's Growth X-Ray Exam: Hip KidsHealth > For Parents > X-Ray Exam: Hip Print A A A Text Size ... español Radiografía: cadera What It Is A hip X-ray is a safe and painless test that uses ...

  3. X-Ray Exam: Forearm

    Science.gov (United States)

    ... Tropical Delight: Melon Smoothie Pregnant? Your Baby's Growth X-Ray Exam: Forearm KidsHealth > For Parents > X-Ray Exam: Forearm Print A A A Text Size ... español Radiografía: brazo What It Is A forearm X-ray is a safe and painless test that uses ...

  4. X-Ray Exam: Pelvis

    Science.gov (United States)

    ... Tropical Delight: Melon Smoothie Pregnant? Your Baby's Growth X-Ray Exam: Pelvis KidsHealth > For Parents > X-Ray Exam: Pelvis Print A A A Text Size ... español Radiografía: pelvis What It Is A pelvis X-ray is a safe and painless test that uses ...

  5. X-Ray Exam: Foot

    Science.gov (United States)

    ... Tropical Delight: Melon Smoothie Pregnant? Your Baby's Growth X-Ray Exam: Foot KidsHealth > For Parents > X-Ray Exam: Foot Print A A A Text Size ... español Radiografía: pie What It Is A foot X-ray is a safe and painless test that uses ...

  6. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... The x-ray tube is connected to a flexible arm that is extended over the patient while an x-ray film holder or image recording plate is placed beneath the patient. top of page How does the procedure work? X-rays are a form of radiation like ...

  7. Soft X-Ray Emissions from Planets and Moons

    Science.gov (United States)

    Bhardwaj, A.; Gladstone, G. R.; Elsner, R. F.; Waite, J. H., Jr.; Grodent, D.; Lewis, W. S.; Crary, F. J.; Weisskopf, M. C.; Howell, R. R.; Johnson, R. E.; Six, N. Frank (Technical Monitor)

    2002-01-01

    The soft x-ray energy band (less than 4 keV) is an important spectral regime for planetary remote sensing, as a wide variety of solar system objects are now known to shine at these wavelengths. These include Earth, Jupiter, comets, moons, Venus, and the Sun. Earth and Jupiter, as magnetic planets, are observed to emanate strong x-ray emissions from their auroral (polar) regions, thus providing vital information on the nature of precipitating particles and their energization processes in planetary magnetospheres. X rays from low latitudes have also been observed on these planets, resulting largely from atmospheric scattering and fluorescence of solar x-rays. Cometary x-rays are now a well established phenomena, more than a dozen comets have been observed at soft x-ray energies, with the accepted production mechanism being charge-exchange between heavy solar wind ions and cometary neutrals. Also, Lunar x-rays have been observed and are thought to be produced by scattering and fluorescence of solar x-rays from the Moon's surface. With the advent of sophisticated x-ray observatories, e.g., Chandra and XMM-Newton, the field of planetary x-ray astronomy is advancing at a much faster pace. The Chandra X-ray Observatory (CXO) has recently captured soft x-rays from Venus. Venusian x-rays are most likely produced through fluorescence of solar x-rays by C and O atoms in the upper atmosphere. Very recently, using CXO we have discovered soft x-rays from the moons of Jupiter-Io, Europa, and probably Ganymede. The plausible source of the x-rays from the Galilean satellites is bombardment of their surfaces by energetic (greater than 10 KeV) ions from the inner magnetosphere of Jupiter. The Io plasma Torus (IPT) is also discovered by CXO to be a source of soft x-rays by CXO have revealed a mysterious pulsating (period approx. 45 minutes) x-ray hot spot is fixed in magnetic latitude and longitude and is magnetically connected to a region in the outer magnetosphere of Jupiter. These

  8. X-ray diffraction

    International Nuclear Information System (INIS)

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

  9. X-ray detector

    International Nuclear Information System (INIS)

    The multicell X-ray or gamma detector is used in computer tomography. To achieve good spatial resolution, the electrode plates are narrowly spaced in each cell and are designed identical over the whole length of the detector group. The uniform spacing and precise check of the angles between the electrodes and accurate control of the dimensions of the whole detector structure are achieved by depositing, in the fabrication process, a viscous, resin type material (e.g., epoxy resin) or glue at selected points between the electrodes and insulators. (ORU)

  10. Commercial Applications of X Ray Spectrometric Techniques

    International Nuclear Information System (INIS)

    In the 21st century, the X-ray fluorescence (XRF) technique is widely used in process control, industrial applications and for routine elemental analysis. The technique has a multielement capability capable of detecting elements with Z ≥ 10, with a few instruments capable of detecting also elements with Z ≥ 5. It is characterized by a non-destructive analysis process and relatively good detection limits, typically one part per million, for a wide range of elements. The first commercial XRF instruments were introduced to the market about 50 years ago. They were the wavelength dispersive X ray fluorescence (WDXRF) spectrometers utilizing Bragg’s law and reflection on crystal lattices for sequential elemental analysis of sample composition. The advances made in radiation detector technology, especially the introduction of semiconductor detectors, improvements in signal processing electronics, availability and exponential growth of personal computer market led to invention of energy dispersive X ray fluorescence (EDXRF) technique. The EDXRF is more cost effective as compared to WDXRF. It also allows for designing compact instruments. Such instruments can be easily tailored to the needs of different customers, integrated with industrial installations, and also miniaturized for the purpose of in-situ applications. The versatility of the technique has been confirmed in a spectacular way by using the XRF and X-ray spectrometric techniques, among few others, during the NASA and ESA missions in search for the evidence of life and presence of water on the surface of Mars. The XRF technique has achieved its strong position within the atomic spectroscopy group of analytical techniques not only due to its versatility but also due to relatively low running costs, as compared to the commonly used methods, e.g., atomic absorption spectrometry (AAS) or inductively coupled plasma atomic emission/mass spectrometry (ICP-AES/MS). Presently, the XRF technique together with X ray

  11. Anomalous x-ray scattering

    International Nuclear Information System (INIS)

    The availability of tunable synchrotron radiation has made it possible systematically to perform x-ray diffraction studies in regions of anomalous scattering near absorption edges, e.g. in order to derive phase information for crystal structure determination. An overview is given of recent experimental and theoretical work and discuss the properties of the anomalous atomic scattering factor, with emphasis on threshold resonances and damping effects. The results are applied to a discussion of the very strong anomalous dispersion recently observed near the L3 edge in a cesium complex. Also given is an overview of elements and levels where similar behavior can be expected. Finally, the influence of solid state and chemical effects on the absorption edge structure is discussed. 64 references

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

    DEFF Research Database (Denmark)

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

    1992-01-01

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

  13. 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...

  14. X-ray diagnostics of tokamak plasmas

    International Nuclear Information System (INIS)

    In this review, the authors venture into a new arena for work in atomic X-ray spectroscopy which can be dubbed tokamak X-ray spectroscopy diagnostics (TOXRASD). Not only is the experimental development exciting, but the measurements explore areas of atomic and plasma physics which have been inaccessible until just recently. Even though much of the present experimental effort is oriented towards obtaining a TOXRASD for fusion conditions, the new results touch upon some very basic atomic physics questions as well. Much effort has gone into the study of few electron systems, i.e., H-, He-, and Li-like ions with the purpose of utilizing the characteristic X-ray emission for diagnosing laboratory and astronomical plasmas or with the aim of developing the diagnostics, i.e., extending our understanding of the relationship between X-ray line emission and the plasma conditions under which the ions are formed and their ground states excited. However, the emission from highly charged heavy ions, such as neon-like molybdenum, has also attracted interest. Here the focus of the discussion is around results of the latest vintage from the TOXRASD project at the Alcator C tokamak at MIT. 38 references, 14 figures

  15. 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...

  16. Advanced X-ray diffractive optics

    Energy Technology Data Exchange (ETDEWEB)

    Vila-Comamala, J; Jefimovs, K; Sarkar, S S; Solak, H H; Guzenko, V A; Stampanoni, M; Marone, F; Raabe, J; Tzvetkov, G; Grolimund, D; Borca, C N; David, C [Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Pilvi, T; Ritala, M [Department of Chemistry, FIN-00014 University of Helsinki (Finland); Fink, R H [Friedrich-Alexander Universitaet, D-91058 Erlangen (Germany); Kaulich, B, E-mail: joan.vila@psi.c [ELETTRA Sincrotrone, I-34012 Basovizza (Italy)

    2009-09-01

    X-ray microscopy greatly benefits from the advances in x-ray optics. At the Paul Scherrer Institut, developments in x-ray diffractive optics include the manufacture and optimization of Fresnel zone plates (FZPs) and diffractive optical elements for both soft and hard x-ray regimes. In particular, we demonstrate here a novel method for the production of ultra-high resolution FZPs. This technique is based on the deposition of a zone plate material (iridium) onto the sidewalls of a prepatterned template structure (silicon) by atomic layer deposition. This approach overcomes the limitations due to electron-beam writing of dense patterns in FZP fabrication and provides a clear route to push the resolution into sub-10 nm regime. A FZP fabricated by this method was used to resolve test structures with 12 nm lines and spaces at the scanning transmission x-ray microscope of the PolLux beamline of the Swiss Light Source at 1.2 keV photon energy.

  17. Ion-atom collisions study by cross section measurement of K and L X-ray production with 100 to 300 keV heavy particles

    International Nuclear Information System (INIS)

    Aluminium and copper targets have been irradiated by 100-250 keV protons and 250 keV Ne+ and Ar+ ions. Total cross section for the K and L X-ray emission have been measured and the ionisation mechanism is discussed. Transitions which are forbidden in the framework of the initial orbital molecular formalism have been observed; some hypothesis and specially the so called solid effects have been suggested to explain their presence. In the conclusion it is shown that, in a next future, the solid effects will be eliminated by using a gazeous stream which has been realized during the present work

  18. Extended x-ray-absorption fine-structure observation of collinear ordering of Fe-Sn-Fe atoms in the Chevrel-phase superconductor SnFe/sub 0.05/Mo6S8

    International Nuclear Information System (INIS)

    Extended x-ray-absorption fine-structure (EXAFS) and x-ray-diffraction studies have been conducted on the Chevrel-phase superconductor SnFe/sub 0.05/Mo6S8. The site symmetry of the iron is found to be similar to that of copper in the high-temperature phase of Cu/sub 1.8/Mo6S8. EXAFS analysis yielded interatomic distances, e.g., Fe-Sn and Fe-S, in this compound. The Fe-S distances are found to be characteristic of iron sulfides (e.g., FeS and Fe7S8). Through the observation of focused multiple scattering, a distance corresponding to a linear array of Fe-Sn-Fe atoms was measured. Iron atoms were found to be situated in two different configurations, one where iron has only a tin neighbor and the other where a linear-chain-like configuration of Fe-Sn-Fe atoms occurs

  19. Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

    International Nuclear Information System (INIS)

    The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-ordered diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R−11 dependence on separation distance for the DDQ interaction, and an R−13 behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R−1 in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift

  20. New resonant inelastic X-ray scattering and coherent X-ray scattering station at UE49-SGM, BESSY II

    International Nuclear Information System (INIS)

    Soft x-ray scattering techniques are powerful probes for the understanding of nano- and atomic-scale phenomena, including magnetism, atomic motion and electronic structure. New beamline UE49-SGM and experimental stations are currently under construction, dedicated to the techniques of resonant inelastic x-ray scattering (RIXS) and coherent x-ray scattering (CXS). This facility will have the unique possibility to combine high-resolution spatial information studies with high-resolution chemically- and atomically-selective spectroscopy studies for a broad range of applications.

  1. X-ray absorption anisotropy for polychromatic illumination-Crystal views from inside

    International Nuclear Information System (INIS)

    We review an atomic resolution imaging method based on the analysis of the fine structure in X-ray absorption anisotropy, which results from incident beam diffraction. For a polychromatic X-ray beam, due to the suppression of higher order diffraction fringes, X-ray absorption anisotropy patterns can be interpreted as distorted real-space projections of the atomic structure around absorbing atoms. A qualitative method for analysis of X-ray absorption anisotropy patterns is presented, based on modeling of X-ray patterns with ray-traced images calculated for clusters around absorbing atoms.

  2. X-ray and neutron reflectivity

    International Nuclear Information System (INIS)

    The intensity of X-rays and neutrons reflected from an interface at near-grazing incidence depends sensitively on the refractive index profile normal to the interface. As the refractive index depends on the density, the measured reflectivity vs. incidence angle can be used to determine the Interfacial density profile with sub angstrom resolution. The density sampled is, however, different for the two probes. As neutrons interact with the atomic nuclei, they probe the scattering amplitude density profile of the nuclei. This amounts effectively to probing the average mass density profile, where the contribution of each atomic species is weighted by its nucleus-neutron interaction strength, which varies irregularly throughout the periodic table. X-rays, however, interact with the electronic charge and thus probe the total electronic density profile of the interface. The two probes provide, therefore, slightly different, though related, information on the interface structure. Since modern synchrotron X-ray sources are 5-6 orders of magnitude brighter than the best neutron sources, X-ray reflectivity measurements routinely achieve much higher resolutions and accuracies than their neutron counterparts. However, the magnetic interaction and the large variation of the neutron scattering length upon isotopic substitution renders neutron reflectivity a method-of-choice in special cases such as studies of surface magnetism and the adsorption of polymers at liquid and solid surfaces

  3. Anomalous nonlinear X-ray Compton scattering

    Science.gov (United States)

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

    2015-11-01

    X-ray scattering is typically used as a weak linear atomic-scale probe of matter. At high intensities, such as produced at free-electron lasers, nonlinearities can become important, and the probe may no longer be considered weak. Here we report the observation of one of the most fundamental nonlinear X-ray-matter interactions: the concerted nonlinear Compton scattering of two identical hard X-ray photons producing a single higher-energy photon. The X-ray intensity reached 4 × 1020 W cm-2, corresponding to an electric field well above the atomic unit of strength and within almost four orders of magnitude of the quantum-electrodynamic critical field. We measure a signal from solid beryllium that scales quadratically in intensity, consistent with simultaneous non-resonant two-photon scattering from nearly-free electrons. The high-energy photons show an anomalously large redshift that is incompatible with a free-electron approximation for the ground-state electron distribution, suggesting an enhanced nonlinearity for scattering at large momentum transfer.

  4. X-ray instrumentation for SR beamlines

    CERN Document Server

    Kovalchuk, M V; Zheludeva, S I; Aleshko-Ozhevsky, O P; Arutynyan, E H; Kheiker, D M; Kreines, A Y; Lider, V V; Pashaev, E M; Shilina, N Y; Shishkov, V A

    2000-01-01

    The main possibilities and parameters of experimental X-ray stations are presented: 'Protein crystallography', 'X-ray structure analysis', 'High-precision X-ray optics', 'X-ray crystallography and material science', 'X-ray topography', 'Photoelectron X-ray standing wave' that are being installed at Kurchatov SR source by A.V. Shubnikov Institute of Crystallography.

  5. X-ray lithography sources

    International Nuclear Information System (INIS)

    Synchrotron from dipole magnets in electron storage rings has emerged as a useful source of x-rays for lithography. To meet the need for these sources numerous groups around the world have embarked on projects to design and construct storage rings for x-ray lithography. Both conventional electromagnets as well as superconducting (SC) dipoles have been incorporated into the various designs. An overview of the worldwide effort to produce commercial x-ray sources will be presented. To better illustrate the elements involved in these sources a closer examination of the Superconducting X-ray Lithography Source Project (SXLS) at BNL will be presented. 11 refs., 1 fig., 5 tabs

  6. X-ray Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yano, Junko; Yachandra, Vittal K.

    2009-07-09

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

  7. X-ray Fluorescence Sectioning

    CERN Document Server

    Cong, Wenxiang

    2012-01-01

    In this paper, we propose an x-ray fluorescence imaging system for elemental analysis. The key idea is what we call "x-ray fluorescence sectioning". Specifically, a slit collimator in front of an x-ray tube is used to shape x-rays into a fan-beam to illuminate a planar section of an object. Then, relevant elements such as gold nanoparticles on the fan-beam plane are excited to generate x-ray fluorescence signals. One or more 2D spectral detectors are placed to face the fan-beam plane and directly measure x-ray fluorescence data. Detector elements are so collimated that each element only sees a unique area element on the fan-beam plane and records the x-ray fluorescence signal accordingly. The measured 2D x-ray fluorescence data can be refined in reference to the attenuation characteristics of the object and the divergence of the beam for accurate elemental mapping. This x-ray fluorescence sectioning system promises fast fluorescence tomographic imaging without a complex inverse procedure. The design can be ad...

  8. Coexistence of bound and virtual-bound states in shallow-core to valence x-ray spectroscopies

    Science.gov (United States)

    Sen Gupta, Subhra; Bradley, J. A.; Haverkort, M. W.; Seidler, G. T.; Tanaka, A.; Sawatzky, G. A.

    2011-08-01

    With the example of the non-resonant inelastic x-ray scattering (NIXS) at the O45 edges (5d→5f) of the actinides, we develop the theory for shallow-core to valence excitations, where the multiplet spread is larger than the core-hole attraction, such as if the core and valence orbitals have the same principal quantum number. This involves very strong final state configuration interaction (CI), which manifests itself as huge reductions in the Slater-Condon integrals, needed to explain the spectral shapes within a simple renormalized atomic multiplet theory. But more importantly, this results in a cross-over from bound (excitonic) to virtual-bound excited states with increasing energy, within the same core-valance multiplet structure, and in large differences between the dipole and high-order multipole transitions, as observed in NIXS. While the bound states (often higher multipole allowed) can still be modeled using local cluster-like models, the virtual-bound resonances (often dipole-allowed) cannot be interpreted within such local approaches. This is in stark contrast to the more familiar core-valence transitions between different principal quantum number shells, where all the final excited states almost invariably form bound core-hole excitons and can be modeled using local approaches. The possibility of observing giant multipole resonances for systems with high angular momentum ground states is also predicted. The theory is important to obtain ground state information from core-level x-ray spectroscopies of strongly correlated transition metal, rare-earth, and actinide systems.

  9. Element-specific structure of materials with intrinsic disorder by high-energy resonant x-ray diffraction and differential atomic pair-distribution functions: A study of PtPd nanosized catalysts

    Science.gov (United States)

    Petkov, V.; Shastri, S. D.

    2010-04-01

    We demonstrate how high-energy resonant x-ray diffraction (XRD) and differential atomic-pair-distribution function (PDF) analysis can be used to characterize the atomic ordering in materials of limited structural coherence with both excellent spatial resolution and element specificity. First we prove that this experimental approach is feasible by probing the K -absorption edge of Au(˜81keV) atoms in chemically ordered and disordered bulk Cu3Au alloys. The resulting Au-differential PDFs show very clearly the different ways Au atoms are known to occupy the sites of otherwise identical cubic lattices of those materials. Next we apply it to a more complex material: PtPd alloy and core-shell nanosized (˜2-4nm) particles by probing the K -absorption edge of Pt(˜78keV) . The resulting Pt-differential atomic PDFs reveal how exactly the atomic ordering of catalytically active Pt atoms is affected by the nanoparticles’ design, thus providing a firm structural basis for understanding their properties. The work is a step forward in expanding the limits of applicability of nontraditional XRD to the rapidly growing field of materials of unusual structural complexity.

  10. Thallium magnesium chloride: A high light yield, large effective atomic number, intrinsically activated crystalline scintillator for X-ray and gamma-ray detection

    Science.gov (United States)

    Fujimoto, Yutaka; Koshimizu, Masanori; Yanagida, Takayuki; Okada, Go; Saeki, Keiichiro; Asai, Keisuke

    2016-09-01

    We report the luminescence and the scintillation properties of a newly developed thallium magnesium chloride (TlMgCl3) crystal. The crystal sample can be easily fabricated from the melt using the Bridgman method. The photoluminescence band appeared near the wavelength of 405 nm under excitation at 230 nm. An X-ray-induced scintillation spectrum showed an intense emission band near the wavelength of 405 nm. The decay time constant was estimated to be approximately 60 ns (∼25%) and 350 ns (∼75%) using a bi-exponential fitting. The scintillation light yield reached 46,000 photons/MeV with an energy resolution of 5% at 662 keV.

  11. Spectroscopic ellipsometric modeling of a Bi–Te–Se write layer of an optical data storage device as guided by atomic force microscopy, scanning electron microscopy, and X-ray diffraction

    International Nuclear Information System (INIS)

    Conventional magnetic tape is the most widely used medium for archival data storage. However, data stored on it need to be migrated every ca. 5 years. Recently, optical discs that store information for hundreds, or even more than 1000 years, have been introduced to the market. We recently proposed that technology in these optical discs be used to make an optical tape that would show greater permanence than its magnetic counterpart. Here we provide a detailed optical characterization of a sputtered thin film of bismuth, tellurium, and selenium (BTS) that is a proposed data storage layer for these devices. The methodology described herein should be useful in the future development of related materials. Spectroscopic ellipsometry (SE) data are obtained using interference enhancement, and the modeling of this data is guided by results from atomic force microscopy (AFM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray reflectivity (XRR). By AFM, ca. 40 nm BTS films show ca. 10 nm roughness. SEM images also suggest considerable roughness in the films and indicate that they are composed of 13.1 ± 5.9 nm grains. XRD confirms that the films are crystalline and predicts a grain size of 17 ± 2 nm. XRD results are consistent with the composition of the films — a mildly oxidized BTS material. Three models of increasing complexity are investigated to explain the SE data. The first model consists of a smooth, homogeneous BTS film. The second model adds a roughness layer to the previous model. The third model also has two layers. The bottom layer is modeled as a mixture of BTS and void using a Bruggeman effective medium approximation. The upper layer is similarly modeled, but with a gradient. The first model was unable to adequately model the SE data. The second model was an improvement — lower MSE (4.4) and good agreement with step height measurements. The third model was even better — very low MSE (2.6) and good agreement with AFM results. The

  12. Total reflection x-ray fluorescence: Determination of an optimum geometry

    International Nuclear Information System (INIS)

    Total reflection X-Ray Fluorescence (TXRF) is a widely used technique in which the normal trace element detection capability of hard x-ray fluorescence (XRF) is enhanced by use of an x-ray reflective substrate. TXRF is more sensitive than normal photon induced XRF due to the reduction of the substrate scattering and fluorescence signals. This reduction comes about because in total external reflection, the photon field only penetrates about 20 angstrom into the surface, instead of typically 50 μm for a silicon substrate at normal incidence for 10 KeV photons. The technique is used in many fields of trace element analysis, and is widely used in the determination of metal impurity concentrations on and in the surface of silicon wafers. The Semiconductor Industry Association roadmap (SIA) indicates a need for wafer contamination detection at the 107atoms/cm2 level in the next few years. Current commercial systems using rotating anode x-ray sources presently routinely operate with a sensitivity level of around 1010 atoms/cm2 and this has led to interest in the use of synchrotron radiation to extend the sensitivity by three orders of magnitude. The pioneering work of Pianetta and co-workers at SSRL has clearly shown that this should be possible, using a fully optimized source and detector. The purpose of this work is to determine whether ALS would be a suitable source for this type of highly sensitive wafer TXRF. At first look it appears improbable as the SSRL work used a high flux multipole wiggler source, and it is clear that the detected fluorescence for relevant concentrations is small. In addition, SSRL operates at 3.0 GeV rather than 1.9 GeV, and is therefore more naturally suited to hard x-ray experiments. The aim of this work was therefore to establish a theoretical model for the scattering and fluorescence processes, so that one could predict the differences between alternative geometries and select an optimum configuration

  13. Coherent control of pulsed X-ray beams

    Science.gov (United States)

    DeCamp, M. F.; Reis, D. A.; Bucksbaum, P. H.; Adams, B.; Caraher, J. M.; Clarke, R.; Conover, C. W. S.; Dufresne, E. M.; Merlin, R.; Stoica, V.; Wahlstrand, J. K.

    2001-10-01

    Synchrotrons produce continuous trains of closely spaced X-ray pulses. Application of such sources to the study of atomic-scale motion requires efficient modulation of these beams on timescales ranging from nanoseconds to femtoseconds. However, ultrafast X-ray modulators are not generally available. Here we report efficient subnanosecond coherent switching of synchrotron beams by using acoustic pulses in a crystal to modulate the anomalous low-loss transmission of X-ray pulses. The acoustic excitation transfers energy between two X-ray beams in a time shorter than the synchrotron pulse width of about 100ps. Gigahertz modulation of the diffracted X-rays is also observed. We report different geometric arrangements, such as a switch based on the collision of two counter-propagating acoustic pulses: this doubles the X-ray modulation frequency, and also provides a means of observing a localized transient strain inside an opaque material. We expect that these techniques could be scaled to produce subpicosecond pulses, through laser-generated coherent optical phonon modulation of X-ray diffraction in crystals. Such ultrafast capabilities have been demonstrated thus far only in laser-generated X-ray sources, or through the use of X-ray streak cameras.

  14. Phase-contrast X-ray imaging of breast

    Energy Technology Data Exchange (ETDEWEB)

    Keyrilaeinen, Jani; Tenhunen, Mikko (Dept. of Physics, HUCH Cancer Center, Helsinki Univ. Central Hospital, Helsinki (Finland)), e-mail: jani.keyrilainen@hus.fi; Bravin, Alberto (Bio-medical Beamline ID17, European Synchrotron Radiation Facility, Grenoble (France)); Fernandez, Manuel (High Brilliance Beamline ID2, European Synchrotron Radiation Facility, Grenoble (France)); Virkkunen, Pekka (Dept. of Radiology, HUCH Cancer Center, Helsinki Univ. Central Hospital, Helsinki (Finland)); Suortti, Pekka (Dept. of Physics, Univ. of Helsinki, Helsinki (Finland))

    2010-10-15

    When an X-ray wave traverses an object, its amplitude and phase change, resulting in attenuation, interference, and refraction, and in phase-contrast X-ray imaging (PCI) these are converted to intensity changes. The relative change of the X-ray phase per unit path length is even orders of magnitude larger than that of the X-ray amplitude, so that the image contrast based on variation of the X-ray phase is potentially much stronger than the contrast based on X-ray amplitude (absorption contrast). An important medical application of PCI methods is soft-tissue imaging, where the absorption contrast is inherently weak. It is shown by in vitro examples that signs of malignant human breast tumor are enhanced in PCI images. Owing to the strong contrast, the radiation dose can be greatly reduced, so that a high-resolution phase-contrast X-ray tomography of the breast is possible with about 1 mGy mean glandular dose. Scattered radiation carries essential information on the atomic and molecular structure of the object, and particularly small-angle X-ray scattering can be used to trace cancer. The imaging methods developed at the synchrotron radiation facilities will become available in the clinical environment with the ongoing development of compact radiation sources, which produce intense X-ray beams of sufficient coherence. Several developments that are under way are described here

  15. Phase-contrast X-ray imaging of breast.

    Science.gov (United States)

    Keyriläinen, Jani; Bravin, Alberto; Fernández, Manuel; Tenhunen, Mikko; Virkkunen, Pekka; Suortti, Pekka

    2010-10-01

    When an X-ray wave traverses an object, its amplitude and phase change, resulting in attenuation, interference, and refraction, and in phase-contrast X-ray imaging (PCI) these are converted to intensity changes. The relative change of the X-ray phase per unit path length is even orders of magnitude larger than that of the X-ray amplitude, so that the image contrast based on variation of the X-ray phase is potentially much stronger than the contrast based on X-ray amplitude (absorption contrast). An important medical application of PCI methods is soft-tissue imaging, where the absorption contrast is inherently weak. It is shown by in vitro examples that signs of malignant human breast tumor are enhanced in PCI images. Owing to the strong contrast, the radiation dose can be greatly reduced, so that a high-resolution phase-contrast X-ray tomography of the breast is possible with about 1 mGy mean glandular dose. Scattered radiation carries essential information on the atomic and molecular structure of the object, and particularly small-angle X-ray scattering can be used to trace cancer. The imaging methods developed at the synchrotron radiation facilities will become available in the clinical environment with the ongoing development of compact radiation sources, which produce intense X-ray beams of sufficient coherence. Several developments that are under way are described here. PMID:20799921

  16. Phase-contrast X-ray imaging of breast

    International Nuclear Information System (INIS)

    When an X-ray wave traverses an object, its amplitude and phase change, resulting in attenuation, interference, and refraction, and in phase-contrast X-ray imaging (PCI) these are converted to intensity changes. The relative change of the X-ray phase per unit path length is even orders of magnitude larger than that of the X-ray amplitude, so that the image contrast based on variation of the X-ray phase is potentially much stronger than the contrast based on X-ray amplitude (absorption contrast). An important medical application of PCI methods is soft-tissue imaging, where the absorption contrast is inherently weak. It is shown by in vitro examples that signs of malignant human breast tumor are enhanced in PCI images. Owing to the strong contrast, the radiation dose can be greatly reduced, so that a high-resolution phase-contrast X-ray tomography of the breast is possible with about 1 mGy mean glandular dose. Scattered radiation carries essential information on the atomic and molecular structure of the object, and particularly small-angle X-ray scattering can be used to trace cancer. The imaging methods developed at the synchrotron radiation facilities will become available in the clinical environment with the ongoing development of compact radiation sources, which produce intense X-ray beams of sufficient coherence. Several developments that are under way are described here

  17. Radioisotope x-ray analysis

    International Nuclear Information System (INIS)

    Radioisotope x-ray fluorescence and x-ray preferential absorption (XRA) techniques are used extensively for the analysis of materials, covering such diverse applications as analysis of alloys, coal, environmental samples, paper, waste materials, and metalliferous mineral ores and products. Many of these analyses are undertaken in the harsh environment of industrial plants and in the field. Some are continuous on-line analyses of material being processed in industry, where instantaneous analysis information is required for the control of rapidly changing processes. Radioisotope x-ray analysis systems are often tailored to a specific but limited range of applications. They are simpler and often considerably less expensive than analysis systems based on x-ray tubes. These systems are preferred to x-ray tube techniques when simplicity, ruggedness, reliability, and cost of equipment are important; when minimum size, weight, and power consumption are necessary; when a very constant and predictable x-ray output is required; when the use of high-energy x-rays is advantageous; and when short x-ray path lengths are required to minimize the absorption of low-energy x-rays in air. This chapter reviews radioisotope XRF, preferential absorption, and scattering techniques. Some of the basic analysis equations are given. The characteristics of radioisotope sources and x-ray detectors are described, and then the x-ray analytical techniques are presented. The choice of radioisotope technique for a specific application is discussed. This is followed by a summary of applications of these techniques, with a more detailed account given of some of the applications, particularly those of considerable industrial importance. 79 refs., 28 figs., 7 tabs

  18. Ultrafast x-ray-induced nuclear dynamics in diatomic molecules using femtosecond x-ray-pump-x-ray-probe spectroscopy

    Science.gov (United States)

    Lehmann, C. S.; Picón, A.; Bostedt, C.; Rudenko, A.; Marinelli, A.; Moonshiram, D.; Osipov, T.; Rolles, D.; Berrah, N.; Bomme, C.; Bucher, M.; Doumy, G.; Erk, B.; Ferguson, K. R.; Gorkhover, T.; Ho, P. J.; Kanter, E. P.; Krässig, B.; Krzywinski, J.; Lutman, A. A.; March, A. M.; Ray, D.; Young, L.; Pratt, S. T.; Southworth, S. H.

    2016-07-01

    The capability of generating two intense, femtosecond x-ray pulses with a controlled time delay opens the possibility of performing time-resolved experiments for x-ray-induced phenomena. We have applied this capability to study the photoinduced dynamics in diatomic molecules. In molecules composed of low-Z elements, K -shell ionization creates a core-hole state in which the main decay mode is an Auger process involving two electrons in the valence shell. After Auger decay, the nuclear wave packets of the transient two-valence-hole states continue evolving on the femtosecond time scale, leading either to separated atomic ions or long-lived quasibound states. By using an x-ray pump and an x-ray probe pulse tuned above the K -shell ionization threshold of the nitrogen molecule, we are able to observe ion dissociation in progress by measuring the time-dependent kinetic energy releases of different breakup channels. We simulated the measurements on N2 with a molecular dynamics model that accounts for K -shell ionization, Auger decay, and the time evolution of the nuclear wave packets. In addition to explaining the time-dependent feature in the measured kinetic energy release distributions from the dissociative states, the simulation also reveals the contributions of quasibound states.

  19. Methodology using a portable X-ray fluorescence device for on-site and rapid evaluation of heavy-atom contamination in wounds: a model study for application to plutonium contamination.

    Directory of Open Access Journals (Sweden)

    Hiroshi Yoshii

    Full Text Available Workers decommissioning the Fukushima-Daiichi nuclear power plant damaged from the Great East Japan Earthquake and resulting tsunami are at risk of injury with possible contamination from radioactive heavy atoms including actinides, such as plutonium. We propose a new methodology for on-site and rapid evaluation of heavy-atom contamination in wounds using a portable X-ray fluorescence (XRF device. In the present study, stable lead was used as the model contaminant substitute for radioactive heavy atoms. First, the wound model was developed by placing a liquid blood phantom on an epoxy resin wound phantom contaminated with lead. Next, the correlation between the concentration of contaminant and the XRF peak intensity was formulated considering the thickness of blood exiting the wound. Methods to determine the minimum detection limit (MDL of contaminants at any maximal equivalent dose to the wound by XRF measurement were also established. For example, in this system, at a maximal equivalent dose of 16.5 mSv to the wound and blood thickness of 0.5 mm, the MDL value for lead was 1.2 ppm (3.1 nmol. The radioactivity of 239Pu corresponding to 3.1 nmol is 1.7 kBq, which is lower than the radioactivity of 239Pu contaminating puncture wounds in previous severe accidents. In conclusion, the established methodology could be beneficial for future development of a method to evaluate plutonium contamination in wounds. Highlights: Methodology for evaluation of heavy-atom contamination in a wound was established. A portable X-ray fluorescence device enables on-site, rapid and direct evaluation. This method is expected to be used for evaluation of plutonium contamination in wounds.

  20. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available Toggle navigation Test/Treatment Patient Type Screening/Wellness Disease/Condition Safety En Español More Info Images/Videos News Physician Resources Professions Site Index A-Z X-ray (Radiography) - Bone Bone x-ray uses a very small dose of ionizing ...

  1. X-ray Dynamic Defectoscopy

    Czech Academy of Sciences Publication Activity Database

    Vavřík, Daniel; Visschers, J.; Jakůbek, J.; Ponchut, C.

    Orosei : IMC S.r.l., 2001. s. 47. [International Workshop on Radiation Imaging Detectors /3./. 23.09.2001-27.09.2001, Orosei] R&D Projects: GA ČR GA106/00/D064 Institutional research plan: CEZ:MSM 210000018 Keywords : X-ray Defectoscopy * Damage * X-ray Detectors Subject RIV: JL - Materials Fatigue, Friction Mechanics

  2. X-ray diagnostic equipment

    International Nuclear Information System (INIS)

    An X-ray tube is connected to several different image processing devices in X-ray diagnostic equipment. Only a single organ selector is allocated to it, for which the picture parameters for each image processing device are selected. The choice of the correct combination of picture parameters is made by means of a selector switch. (DG)

  3. X-ray tube arrangement

    International Nuclear Information System (INIS)

    An x-ray tube is described incorporating an elongated target/ anode over which the electron beam is deflected and from which x-rays are emitted. Improved methods of monitoring and controlling the amplitude of the beam deflection are presented. (U.K.)

  4. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... frequently compared to current x-ray images for diagnosis and disease management. top of page How is the procedure performed? The technologist, an individual specially trained to perform radiology examinations, positions the patient on the x-ray ...

  5. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... clothing that might interfere with the x-ray images. Women should always inform their physician and x-ray ... small burst of radiation that passes through the body, recording an image on photographic film or a special detector. Different ...

  6. X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    The methods and results of X-ray photoelectron spectroscopy in the study of plasmons, alloys and gold compounds are discussed. After a comprehensive introduction, seven papers by the author, previously published elsewhere, are reprinted and these cover a wide range of the uses of X-ray photoelectron spectroscopy. (W.D.L.)

  7. X-ray microscopy of human malaria

    Energy Technology Data Exchange (ETDEWEB)

    Magowan, C.; Brown, J.T.; Mohandas, N.; Meyer-Ilse, W. [Ernest Orlando Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    Associations between intracellular organisms and host cells are complex and particularly difficult to examine. X-ray microscopy provides transmission images of subcellular structures in intact cells at resolutions superior to available methodologies. The spatial resolution is 50-60nm with a 1 micron depth of focus, superior to anything achievable with light microscopy. Image contrast is generated by differences in photoelectric absorption by the atoms in different areas (i.e. subcellular structures) throughout the full thickness of the sample. Absorption due to carbon dominates among all the elements in the sample at 2.4 nm x-ray wavelength. Thus images show features or structures, in a way not usually seen by other types of microscopy. The authors used soft x-ray microscopy to investigate structural development of Plasmodium falciparum malaria parasites in normal and genetically abnormal erythrocytes, and in infected erythrocytes treated with compounds that have anti-malarial effects. X-ray microscopy showed newly elaborated structures in the cytosol of unstained, intact erythrocytes, redistribution of mass (carbon) in infected erythrocytes, and aberrant parasite morphology. Better understanding of the process of intracellular parasite maturation and the interactions between the parasite and its host erythrocyte can help define new approaches to the control of this deadly disease.

  8. X-ray microscopy of human malaria

    International Nuclear Information System (INIS)

    Associations between intracellular organisms and host cells are complex and particularly difficult to examine. X-ray microscopy provides transmission images of subcellular structures in intact cells at resolutions superior to available methodologies. The spatial resolution is 50-60nm with a 1 micron depth of focus, superior to anything achievable with light microscopy. Image contrast is generated by differences in photoelectric absorption by the atoms in different areas (i.e. subcellular structures) throughout the full thickness of the sample. Absorption due to carbon dominates among all the elements in the sample at 2.4 nm x-ray wavelength. Thus images show features or structures, in a way not usually seen by other types of microscopy. The authors used soft x-ray microscopy to investigate structural development of Plasmodium falciparum malaria parasites in normal and genetically abnormal erythrocytes, and in infected erythrocytes treated with compounds that have anti-malarial effects. X-ray microscopy showed newly elaborated structures in the cytosol of unstained, intact erythrocytes, redistribution of mass (carbon) in infected erythrocytes, and aberrant parasite morphology. Better understanding of the process of intracellular parasite maturation and the interactions between the parasite and its host erythrocyte can help define new approaches to the control of this deadly disease

  9. Direct imaging by atomic force microscopy of surface-localized self-assembled monolayers on a cuprate superconductor and surface X-ray scattering analysis of analogous monolayers on the surface of water

    International Nuclear Information System (INIS)

    A self-assembled monolayer of CF3(CF2)3(CH2)11NH2 atop the (001) surface of the high-temperature superconductor YBa2Cu3O7-x was imaged by atomic force microscopy (AFM). The AFM images provide direct 2D-structural evidence for the epitaxial 5.5 A square √2 x √2R45o unit cell previously predicted for alkyl amines by molecular modeling [J.E. Ritchie, C.A. Wells, J.-P. Zhou, J. Zhao, J.T. McDevitt, C.R. Ankrum, L. Jean, D.R. Kanis, J. Am. Chem. Soc. 120 (1998) 2733]. Additionally, the 3D structure of an analogous Langmuir monolayer of CF3(CF2)9(CH2)11NH2 on water was studied by grazing-incidence X-ray diffraction and specular X-ray reflectivity. Structural differences and similarities between the water-supported and superconductor-localized monolayers are discussed

  10. Direct imaging by atomic force microscopy of surface-localized self-assembled monolayers on a cuprate superconductor and surface X-ray scattering analysis of analogous monolayers on the surface of water

    DEFF Research Database (Denmark)

    Schougaard, Steen B.; Reitzel, Niels; Bjørnholm, Thomas;

    2007-01-01

    cell previously predicted for alkyl amines by molecular modeling [J.E. Ritchie, C.A. Wells, J.-P. Zhou, J. Zhao, J.T. McDevitt, C.R. Ankrum, L. Jean, D.R. Kanis, J. Am. Chem. Soc. 120 (1998) 2733]. Additionally, the 3D structure of an analogous Langmuir monolayer of CF3(CF2)9(CH2)(11)NH2 on water was......A self-assembled monolayer of CF3(CF2)(3)(CH2)(11)NH2 atop the (001) surface of the high-temperature superconductor YBa2Cu3O7-x was imaged by atomic force microscopy (AFM). The AFM images provide direct 2D-structural evidence for the epitaxial 5.5 angstrom square root 2 x root 2R45 degrees unit...... studied by grazing-incidence X-ray diffraction and specular X-ray reflectivity. Structural differences and similarities between the water-supported and superconductor-localized monolayers are discussed....

  11. Purification, crystallization and preliminary X-ray diffraction studies to near-atomic resolution of dihydrodipicolinate synthase from methicillin-resistant Staphylococcus aureus

    International Nuclear Information System (INIS)

    Dihydrodipicolinate synthase (DHDPS), an enzyme of the lysine-biosynthetic pathway, is a promising target for antibiotic development against pathogenic bacteria. Here, the expression, purification, crystallization and preliminary diffraction analysis to 1.45 Å resolution of DHDPS from methicillin-resistant S. aureus is reported. In recent years, dihydrodipicolinate synthase (DHDPS; EC 4.2.1.52) has received considerable attention from both mechanistic and structural viewpoints. DHDPS is part of the diaminopimelate pathway leading to lysine, coupling (S)-aspartate-β-semialdehyde with pyruvate via a Schiff base to a conserved active-site lysine. In this paper, the cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of DHDPS from methicillin-resistant Staphylococcus aureus, an important bacterial pathogen, are reported. The enzyme was crystallized in a number of forms, predominantly from PEG precipitants, with the best crystal diffracting to beyond 1.45 Å resolution. The space group was P1 and the unit-cell parameters were a = 65.4, b = 67.6, c = 78.0 Å, α = 90.1, β = 68.9, γ = 72.3°. The crystal volume per protein weight (VM) was 2.34 Å3 Da−1, with an estimated solvent content of 47% for four monomers per asymmetric unit. The structure of the enzyme will help to guide the design of novel therapeutics against the methicillin-resistant S. aureus pathogen

  12. Advances in X-ray spectroscopy contributions in honour of professor Y. Cauchois

    CERN Document Server

    Bonnelle, C

    1982-01-01

    Advances in X-Ray Spectroscopy covers topics relevant to the advancement of X-ray spectroscopy technology. The book is a collection of papers written by specialists in X-ray spectroscopy and pays tribute to the scientific work of Prof. Yvette Cauchois. The text is organized into four parts. Part I covers the analysis of X-ray transitions between atomic levels and relativistic theories of X-ray emission satellites and electron BremsStrahlung. Part II reviews the means provided by X-ray spectroscopy for the determination of the electronic structure of solids, while Part III discusses methods of

  13. Comparative measurements on atomic layer deposited Al2O3 thin films using ex situ table top and mapping ellipsometry, as well as X-ray and VUV reflectometry

    International Nuclear Information System (INIS)

    In this study we compare the thicknesses and optical properties of atomic layer deposited (ALD) Al2O3 films measured using table top and mapping ellipsometry as well as X-ray and optical reflectometry. The thickness of the films is varied in the range of 1–50 nm. ALD samples are used as references with well-controlled composition and thickness, as well as with a good lateral homogeneity. The homogeneity is checked using mapping ellipsometry. Optical models of increasing complexity were developed to take into account both the top (surface roughness on the nanometer scale) and bottom interfaces (buried silicon oxide and interface roughness). The best ellipsometric model was the one using a single interface roughness layer. Since the techniques applied in this work do not measure in vacuum, organic surface contamination even in the sub-nanometer thickness range may cause an offset in the measured layer thicknesses that result in significant systematic errors. The amount of surface contamination is estimated by in situ reflectometry measurement during removal by UV radiation. Taking into account the surface contamination the total thicknesses determined by the different methods were consistent. The linearity of the total thickness with the number of atomic layer deposition cycles was good, with an offset of 1.5 nm, which is in good agreement with the sum of thicknesses of the interface layer, surface nanoroughness, and contamination layer. - Highlights: ► Improved X-ray and optical methods for atomic layer deposited Al2O3 films ► Mapping ellipsometry to check inhomogeneity for the comparative investigations ► Best fit ellipsometric model includes a single interface roughness layer. ► Consistent thickness values from the different methods ► Surface contamination effect on the different methods compared

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

    International Nuclear Information System (INIS)

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

  15. Electron density distribution in Si and Ge using multipole, maximum entropy method and pair distribution function analysis

    Indian Academy of Sciences (India)

    R Saravanan; K S Syed Ali; S Israel

    2008-04-01

    The local, average and electronic structure of the semiconducting materials Si and Ge has been studied using multipole, maximum entropy method (MEM) and pair distribution function (PDF) analyses, using X-ray powder data. The covalent nature of bonding and the interaction between the atoms are clearly revealed by the two-dimensional MEM maps plotted on (1 0 0) and (1 1 0) planes and one-dimensional density along [1 0 0], [1 1 0] and [1 1 1] directions. The mid-bond electron densities between the atoms are 0.554 e/Å3 and 0.187 e/Å3 for Si and Ge respectively. In this work, the local structural information has also been obtained by analyzing the atomic pair distribution function. An attempt has been made in the present work to utilize the X-ray powder data sets to refine the structure and electron density distribution using the currently available versatile methods, MEM, multipole analysis and determination of pair distribution function for these two systems.

  16. Semiconductor X-ray detectors

    CERN Document Server

    Lowe, Barrie Glyn

    2014-01-01

    Identifying and measuring the elemental x-rays released when materials are examined with particles (electrons, protons, alpha particles, etc.) or photons (x-rays and gamma rays) is still considered to be the primary analytical technique for routine and non-destructive materials analysis. The Lithium Drifted Silicon (Si(Li)) X-Ray Detector, with its good resolution and peak to background, pioneered this type of analysis on electron microscopes, x-ray fluorescence instruments, and radioactive source- and accelerator-based excitation systems. Although rapid progress in Silicon Drift Detectors (SDDs), Charge Coupled Devices (CCDs), and Compound Semiconductor Detectors, including renewed interest in alternative materials such as CdZnTe and diamond, has made the Si(Li) X-Ray Detector nearly obsolete, the device serves as a useful benchmark and still is used in special instances where its large, sensitive depth is essential. Semiconductor X-Ray Detectors focuses on the history and development of Si(Li) X-Ray Detect...

  17. X-ray quasars and the X-ray background

    International Nuclear Information System (INIS)

    The Einstein X-ray observations of a sample of 202 radio-and optically-selected quasars due to Ku, Helfand and Lucy and to Zamorani et al. are analysed. Correlations between X-ray, optical and radio luminosities are examined. The contribution of radio-loud quasars to the 2-keV X-ray background is estimated using high-frequency radio-source counts, and the contribution due to radio-quiet, optically bright quasars using optical counts. It is shown that radio-loud quasars and radio-quiet optically bright quasars together contribute approximately 15 per cent of the observed 2-keV X-ray background. The contribution of optically faint radio-quiet quasars is uncertain, but may be limited to a maximum of approximately 30 per cent if recent indications of a flattening in optical counts at faint magnitudes are correct. (author)

  18. Synchrotron x-ray sources and new opportunities in the soil and environmental sciences

    Energy Technology Data Exchange (ETDEWEB)

    Schulze, D. (Purdue Univ., Lafayette, IN (USA)); Anderson, S. (Michigan State Univ., East Lansing, MI (USA)); Mattigod, S. (Pacific Northwest Lab., Richland, WA (USA))

    1990-07-01

    This report contains the following papers: characteristics of the advanced photon source and comparison with existing synchrotron facilities; x-ray absorption spectroscopy: EXAFS and XANES -- A versatile tool to study the atomic and electronic structure of materials; applications of x-ray spectroscopy and anomalous scattering experiments in the soil and environmental sciences; X-ray fluorescence microprobe and microtomography.

  19. Synchrotron x-ray sources and new opportunities in the soil and environmental sciences

    International Nuclear Information System (INIS)

    This report contains the following papers: characteristics of the advanced photon source and comparison with existing synchrotron facilities; x-ray absorption spectroscopy: EXAFS and XANES -- A versatile tool to study the atomic and electronic structure of materials; applications of x-ray spectroscopy and anomalous scattering experiments in the soil and environmental sciences; X-ray fluorescence microprobe and microtomography

  20. X-ray diffraction apparatus

    International Nuclear Information System (INIS)

    The invention provides an x-ray diffraction apparatus permitting the rotation of the divergence sit in conjunction with the rotation of the x-ray irradiated specimen, whereby the dimensions of the x-ray irradiated portion of the specimen remain substantially constant during the rotation of the specimen. In a preferred embodiment, the divergence slit is connected to a structural element linked with a second structural element connected to the specimen such that the divergence slit rotates at a lower angular speed than the specimen

  1. X-ray crystal interferometers

    International Nuclear Information System (INIS)

    Various configurations of the X-ray crystal interferometer are reviewed. The interferometer applications considered include metrology, the measurement of fundamental physical constants, the study of weakly absorbing phase objects, time-resolved diagnostics, the determination of hard X-ray beam parameters, and the characterization of structural defects in the context of developing an X-ray Michelson interferometer. The three-crystal Laue interferometer (LLL-interferometer), its design, and the experimental opportunities it offers are given particular attention. (instruments and methods of investigation)

  2. A systematic study of coordinate precision in X-ray structure analyses. Pt. 2. Predictive estimates of E.S.D.'s for the general-atom case

    International Nuclear Information System (INIS)

    The relationship between the mean isotropic e.s.d. anti σ(A)o of any element type A in a crystal structure and the R factor and atomic constitution of that structure is explored for 124 905 element-type occurrences calculated from 33 955 entries in the Cambridge Structural Database. On the basis of the work of Cruickshank [Acta Cryst. (1960), 13, 774-777], it is shown that anti σ(A)p values can be estimated by equations of the form anti σ(A)p = KRN1/2c/ZA where Nc is taken as ΣZ2i/Z2C, the Zi are atomic numbers and the summation is over all atoms in the asymmetric unit. Values of K were obtained by regression techniques using the anti σ(A)o as basis. The constant Knc for noncentrosymmetric structures is found to be larger than Kc for centrosymmetric structures by a factor of ∼21/2, as predicted by Cruickshank (1960). Two predictive equations are generated, one for first-row elements and the second for elements with ZA > 10. The relationship between the different constants K that arise in these two situations is linked to shape differentials in scattering-factor (fi) curves for light and heavy atoms. It is found that predictive equations in which the Zi are selectively replaced by fi at a constant sinθ/λ of 0.30 A-1 generate closely similar values of K for the light-atom and heavy-atom subsets. The overall analysis indicates that atomic e.s.d.'s may be seriously underestimated in the more precise structure determinations, that e.s.d.'s for the heaviest atoms may be less reliable than those for lighter atoms and that e.s.d.'s in noncentrosymmetric structures may be less accurate than those in centrosymmetric structures. (orig.)

  3. Coherent X-ray Imaging Techniques for Shock Physics

    Science.gov (United States)

    Montgomery, David

    2015-06-01

    X-ray radiography has been used for several decades in dynamic experiments to measure material flow in extreme conditions via absorption of x-rays propagating through the materials. Image contrast in traditional radiography is determined by the absorption coefficients and areal densities of the materials at a given x-ray wavelength, and often limits these measurements to materials with sufficiently high atomic numbers and areal density, while low-Z materials and small areal density variations are completely transparent and not visible in the image. Coherent x-ray sources, such as those found at synchrotrons and x-ray free-electron lasers, provide new opportunities for imaging dynamic experiments due to their high spatial and spectral coherence, high brightness and short temporal duration (x-ray source. Objects that are otherwise transparent to x-rays can be imaged with PCI, and small variations in areal density become visible that would be not observable with traditional radiography. In this talk an overview of PCI will be given, and current applications of this technique in high-energy density physics, shock physics and material dynamics will be presented. Other future uses of imaging using coherent x-ray sources in dynamic high-pressure experiments will be discussed. Work performed under the auspices of DOE by LANL under Contract DE-AC52-06NA25396.

  4. Elemental analysis using X - ray energy dispersive method

    International Nuclear Information System (INIS)

    The technique of x-ray fluorescence analysis (XRFA) involves creation of vacancies in atomic shells of a sample by variety of excitation methods (α ,β ,γ,protons, heavy particles and x - rays) and observation of characteristic x - rays emitted when the vacancies are filled from outer shells. The sensitivity of this technique depends on the ability of excitation methods and the accuracy of measuring the x - rays emitted from the specimen. The energy dispersive x - ray fluorescence provides a convenient nondestructive analytical tool for multielemental analysis of specimens . It has good ability to detect all the x-ray lines in the spectrum, simultaneously, with high resolution. Measurements were taken by the aid of x-ray spectrometer and a vacuum chamber for the assayed samples. The spectrometer consists of a germanium detector and a multichannel pulse height analyzer. The vacuum chamber contains two 239 Pu - sources (each of 10 μCi activity). It is evacuated by a vacuum system,and a Kapton foil (130μm) was fitted in the chamber as x-ray window

  5. 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

  6. Quantum effets in nonresonant X-ray scattering

    International Nuclear Information System (INIS)

    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

  7. Sample Environment in Experiments using X-Ray Synchrotron Radiation

    DEFF Research Database (Denmark)

    Buras, B

    1984-01-01

    beam experiments with wavelength chosen at will from the continuous spectrum. Another type of insertion device, called undulator produces quasi-monochromatic radiation. The insertion devices enable the tailoring of the emitted S.R. to the requirements of the users and can be treated as the first......Modern electron (positron) storage rings are able to emit very intense X-ray radiation with a continuous spectrum extending to 0.1 A, from bending magnets and insertion devices (wavelength shifters and multipole wigglers). It can be used directly for white beam experiments and/or for monochromatic...

  8. Investigation of proton-induced X-rays (PIXE) at the Atomic Physics Institute, Czech Academy of Sciences and Arts, in 1952

    International Nuclear Information System (INIS)

    The author, who was with the Institute on Atomic Physics, Czech Academy of Sciences and Arts, as a scientist in 1952, recollects the work of his scientific team within the context of the Institute. (P.A.)

  9. Structural studies from nanoscale to macroscale with x-ray microtomography and microbeam scattering

    OpenAIRE

    Suuronen, Jussi-Petteri

    2014-01-01

    X-rays are an extremely versatile probe for materials characterization: while conventional medical x-ray imaging is used to visualize structures with macroscopic dimensions, x-ray diffraction and spectroscopy provide information on phenomena at atomic length scales. A fairly recently introduced intermediate-scale method is x-ray microtomography, which is used to image the internal structure of millimeter-sized samples at a resolution of approximately one micrometer. Especially in the case of ...

  10. High Brightness, Laser-Driven X-ray Source for Nanoscale Metrology and Femtosecond Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Siders, C W; Crane, J K; Semenov, V; Betts, S; Kozioziemski, B; Wharton, K; Wilks, S; Barbee, T; Stuart, B; Kim, D E; An, J; Barty, C

    2007-02-26

    This project developed and demonstrated a new, bright, ultrafast x-ray source based upon laser-driven K-alpha generation, which can produce an x-ray flux 10 to 100 times greater than current microfocus x-ray tubes. The short-pulse (sub-picosecond) duration of this x-ray source also makes it ideal for observing time-resolved dynamics of atomic motion in solids and thin films.

  11. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... x-ray machine produces a small burst of radiation that passes through the body, recording an image on photographic film or a special detector. Different parts of the body absorb the x- ...

  12. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... an image on photographic film or a special detector. Different parts of the body absorb the x-rays in varying degrees. Dense bone absorbs much of the radiation while soft tissue, such as muscle, fat and ...

  13. Duodenal X-ray diagnostics

    International Nuclear Information System (INIS)

    The publication provides an overview of duodenal X-ray diagnostics with the aid of barium meals in 1362 patients. The introducing paragraphs deal with the topographic anatomy of the region and the methodics of X-ray investigation. The chapter entitled ''processes at the duodenum itself'' describes mainly ulcers, diverticula, congenital anomalies, tumors and inflammations. The neighbourhood processes comprise in the first place diseases having their origin at the pancreas and bile ducts. As a conclusion, endoscopic rectograde cholangio-pancreaticography and percutaneous transhepatic cholangiography are pointed out as advanced X-ray investigation methods. In the annex of X-ray images some of the described phenomena are shown in exemplary manner. (orig./MG)

  14. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... is commonly used to diagnose fractured bones or joint dislocation. Bone x-rays are the fastest and ... to view and assess bone fractures, injuries and joint abnormalities. This exam requires little to no special ...

  15. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... like a photographic negative). Today, most images are digital files that are stored electronically. These stored images ... and places the x-ray film holder or digital recording plate under the table in the area ...

  16. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... the patient lies. A drawer under the table holds the x-ray film or image recording plate . ... when feasible to protect from radiation. You must hold very still and may be asked to keep ...

  17. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... technologist, an individual specially trained to perform radiology examinations, positions the patient on the x-ray table ... bone is forming), for comparison purposes. When the examination is complete, you may be asked to wait ...

  18. Picosecond x-ray science

    International Nuclear Information System (INIS)

    The report discusses the exciting times for short pulse X-rays and the current users of the technology in the United States. Tracking nuclear motions with X-rays transcends scientific disciplines and includes Biology, Materials Science, Condensed Matter and Chemistry. 1 picosecond accesses many phenomena previously hidden at 100ps. Synchrotron advantage over laser plasma and LCLS is that it's easily tunable. There is a large and diverse user community of this technology that is growing rapidly. A working group is being formed to implement 'fast track' Phases 1 and 2 which includes tunable, polarized, monochromatic, focused X-rays; variable pulse length (1 to 100ps) and 1 kHz, 109 X-rays/s with 1% bandwidth. ERL would be a major advance for ultrafast time-resolved studies.

  19. X-ray microtomographic scanners

    Energy Technology Data Exchange (ETDEWEB)

    Syryamkin, V. I., E-mail: klestov-simon@mail.ru; Klestov, S. A., E-mail: klestov-simon@mail.ru [National Research Tomsk State University, Tomsk, 634050 (Russian Federation)

    2015-11-17

    The article studies the operating procedures of an X-ray microtomographic scanner and the module of reconstruction and analysis 3D-image of a test sample in particular. An algorithm for 3D-image reconstruction based on image shadow projections and mathematical methods of the processing are described. Chapter 1 describes the basic principles of X-ray tomography and general procedures of the device developed. Chapters 2 and 3 are devoted to the problem of resources saving by the system during the X-ray tomography procedure, which is achieved by preprocessing of the initial shadow projections. Preprocessing includes background noise removing from the images, which reduces the amount of shadow projections in general and increases the efficiency of the group shadow projections compression. In conclusion, the main applications of X-ray tomography are presented.

  20. Bone X-Ray (Radiography)

    Medline Plus

    Full Text Available ... or in bones. top of page How should I prepare? Most bone x-rays require no special ... to 10 minutes. top of page What will I experience during and after the procedure? A bone ...