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

International Nuclear Information System (INIS)

Wernet, Philippe

2009-01-01

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

Compton spectra of atoms at high x-ray intensity

Science.gov (United States)

Son, Sang-Kil; Geffert, Otfried; Santra, Robin

2017-03-01

Compton scattering is the nonresonant inelastic scattering of an x-ray photon by an electron and has been used to probe the electron momentum distribution in gas-phase and condensed-matter samples. In the low x-ray intensity regime, Compton scattering from atoms dominantly comes from bound electrons in neutral atoms, neglecting contributions from bound electrons in ions and free (ionized) electrons. In contrast, in the high x-ray intensity regime, the sample experiences severe ionization via x-ray multiphoton multiple ionization dynamics. Thus, it becomes necessary to take into account all the contributions to the Compton scattering signal when atoms are exposed to high-intensity x-ray pulses provided by x-ray free-electron lasers (XFELs). In this paper, we investigate the Compton spectra of atoms at high x-ray intensity, using an extension of the integrated x-ray atomic physics toolkit, xatom. As the x-ray fluence increases, there is a significant contribution from ionized electrons to the Compton spectra, which gives rise to strong deviations from the Compton spectra of neutral atoms. The present study provides not only understanding of the fundamental XFEL-matter interaction but also crucial information for single-particle imaging experiments, where Compton scattering is no longer negligible. , which features invited work from the best early-career researchers working within the scope of J. Phys. B. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Sang-Kil Son was selected by the Editorial Board of J. Phys. B as an Emerging Leader.

Optimization and energy spectra of x-ray to be used for imaging

International Nuclear Information System (INIS)

Nakamori, Nobuyuki; Kanamori, Hitoshi

1979-01-01

The relations of the spectra of X-ray used for diagnosis to the absorbed dose of patients and X-ray information are now being investigated by a number of investigators. Here the problems and the trends of the investigations at present are described. Advent of semiconductor detectors has improved the accuracy of measuring X-ray spectra very rapidly. However, since the semiconductor detectors themselves utilize X-ray photon absorption, calibration curves must be prepared for obtaining the true X-ray spectra. Though there are methods of theoretically determining X-ray spectra, no definite theoretical formula is found. Thus, the derivation of an empirical equation based on measured data would be the most fundamental problem. Interactions in an object and the change of X-ray spectra are described on the case of monochromatic and continuous X-ray irradiation. As mentioned above, beam hardening occurs when X-ray enters a matter deep, because the interactions between X-ray and the matter depend upon the photon energy. There are a few methods for correcting the variation of CT (computed tomography) number due to beam hardening. However, prior to this, there are two methods of representing continuous X-ray with single energy, and the unification of the methods or a new way of defining X-ray quality is needed. It has been and is always desirable that monochromatic X-ray source becomes to be useable, and various methods are proposed. (Wakatsuki, Y.)

Copper L X-ray spectra measured by a high resolution ion-induced X-ray spectrometer

Energy Technology Data Exchange (ETDEWEB)

Takahashi, Ryohei; Hamaguchi, Dai; Kageyama, Hiroyoshi [Kyoto Inst. of Tech. (Japan); and others

1997-03-01

High resolution L X-ray emission spectra of Cu have been measured by 0.75 MeV/u H, He, and F, 0.73 MeV/u Ar, 0.64 MeV/u Si, and 0.073 MeV/u Si ion impacts with a crystal spectrometer. The X-ray transition energies in the Cu target for L{iota}, L{eta}, L{alpha}{sub 1,2}, L{beta}{sub 1}, and L{beta}{sub 3,4} diagram lines induced by light ion impacts are determined, which are in good agreement with those given in the reference. The difference in L X-ray emission spectra produced by H, He, F, Si, and Ar ions are considered and the L{alpha}{sub 1,2} and L{beta}{sub 1} emission spectra are compared with the calculated ones based on the multiconfiguration Dirac-Fock method. (author)

X-ray photoelectron spectra structure and chemical bonding in AmO2

Directory of Open Access Journals (Sweden)

Teterin Yury A.

2015-01-01

Full Text Available Quantitative analysis was done of the X-ray photoelectron spectra structure in the binding energy range of 0 eV to ~35 eV for americium dioxide (AmO2 valence electrons. The binding energies and structure of the core electronic shells (~35 eV-1250 eV, as well as the relativistic discrete variation calculation results for the Am63O216 and AmO8 (D4h cluster reflecting Am close environment in AmO2 were taken into account. The experimental data show that the many-body effects and the multiplet splitting contribute to the spectral structure much less than the effects of formation of the outer (0-~15 eV binding energy and the inner (~15 eV-~35 eV binding energy valence molecular orbitals. The filled Am 5f electronic states were shown to form in the AmO2 valence band. The Am 6p electrons participate in formation of both the inner and the outer valence molecular orbitals (bands. The filled Am 6p3/2 and the O 2s electronic shells were found to make the largest contributions to the formation of the inner valence molecular orbitals. Contributions of electrons from different molecular orbitals to the chemical bond in the AmO8 cluster were evaluated. Composition and sequence order of molecular orbitals in the binding energy range 0-~35 eV in AmO2 were established. The experimental and theoretical data allowed a quantitative scheme of molecular orbitals for AmO2, which is fundamental for both understanding the chemical bond nature in americium dioxide and the interpretation of other X-ray spectra of AmO2.

LINE FORMATION IN SPECTRA OF X-RAY NOVAE

OpenAIRE

Suleimanov, V. F.; Shimansky, V. V.

2017-01-01

Results of X-ray Novae (XN) optical spectra computation are presented. The continuum and Balmer line are calculated. The model of XN as a self-irradiated accretion disk is used. Local (for given radius) disk atmospheres as model stellar atmospheres, heated due to external X-ray radiation are treated. Changes of spectra shape and equivalent widths of the Balmer lines depending from the luminosity and some others accretion disk parameters are investigated. The comparison of GRO JO422+32 observe...

Theory of pump–probe ultrafast photoemission and X-ray absorption spectra

Energy Technology Data Exchange (ETDEWEB)

Fujikawa, Takashi, E-mail: tfujikawa@faculty.chiba-u.jp; Niki, Kaori

2016-01-15

Highlights: • Pump–probe ultrafast XAFS and XPS spectra are theoretically studied. • Keldysh Green's function theory is applied. • Important many-body effects are explicitly included. - Abstract: Keldysh Green's function approach is extensively used in order to derive practical formulas to analyze pump–probe ultrafast photoemission and X-ray absorption spectra. Here the pump pulse is strong enough whereas the probe X-ray pulse can be treated by use of a perturbation theory. We expand full Green's function in terms of renormalized Green's function without the interaction between electrons and probe pulse. The present theoretical formulas allow us to handle the intrinsic and extrinsic losses, and furthermore resonant effects in X-ray Absorption Fine Structures (XAFS). To understand the radiation field screening in XPS spectra, we have to use more sophisticated theoretical approach. In the ultrafast XPS and XAFS analyses the intrinsic and extrinsic loss effects can interfere as well. In the XAFS studies careful analyses are necessary to handle extrinsic losses in terms of damped photoelectron propagation. The nonequilibrium dynamics after the pump pulse irradiation is well described by use of the time-dependent Dyson orbitals. Well above the edge threshold, ultrafast photoelectron diffraction and extended X-ray absorption fine structure (EXAFS) provide us with transient structural change after the laser pump excitations. In addition to these slow processes, the rapid oscillation in time plays an important role related to pump electronic excitations. Near threshold detailed information could be obtained for the combined electronic and structural dynamics. In particular high-energy photoemission and EXAFS are not so influenced by the details of excited states by pump pulse. Random-Phase Approximation (RPA)-boson approach is introduced to derive some practical formulas for time-dependent intrinsic amplitudes.

X-ray spectra and electronic structure of the Ca3Ga2Ge3О12 compound

Science.gov (United States)

Shcherba, I. D.; Kostyk, L. V.; Noga, H.; Bekenov, L. V.; Uskokovich, D.; Jatsyk, B. M.

2017-09-01

The band structure of Ca3Ga2Ge3О12 with the garnet structure has been determined for the first time by X-ray emission and photoelectron spectroscopy. It has been established that the bottom of the valence band is formed by Ge d states, which are not dominant in the chemical bonding. Strong hybridization of oxygen 2s states with 4p states of Ga and Ge revealed by the presence of an extra structure in the X-ray emission spectra has been found. The middle of the valence band has been demonstrated to be occupied by d states of Ga, while Ga and Ge 4рstates with a considerable admixture of oxygen 2p states form the top of the valence band.

X-ray spectra of PG quasars. I. The continuum from X-rays to infrared

International Nuclear Information System (INIS)

Elvis, M.; Green, R.F.; Bechtold, J.; Schmidt, M.; Neugebauer, G.; Kitt Peak National Observatory, Tucson, AZ; Steward Observatory, Tucson, AZ; Palomar Observatory, Pasadena, CA)

1986-01-01

Einstein IPC X-ray spectra for a sample of eight optically selected quasars from the Palomar Bright Quasar survey are presented. The quasars have a mean power law energy slope which in five individual cases is inconsistent with the value found in hard X-ray selection criterion rather than luminosity, redshift, or U-B color. New IUE and optical continuum spectra and infrared photometry are presented for these quasars. The data are combined into log vf(v) and log v distributions which support the decomposition of the overall quasar spectrum into a power law plus a superposed optical-UV big bump which may be due to an accretion disk. At least six of the quasars have vf(v)s which are roughly constant between their infrared and X-ray power laws, suggesting a strong link between the two regions. 104 references

Vibrational spectra, powder X-ray diffractions and physical properties of cyanide complexes with 1-ethylimidazole

Science.gov (United States)

Kürkçüoğlu, Güneş Süheyla; Kiraz, Fulya Çetinkaya; Sayın, Elvan

2015-10-01

The heteronuclear tetracyanonickelate(II) complexes of the type [M(etim)Ni(CN)4]n (hereafter, abbreviated as M-Ni-etim, M = Mn(II), Fe(II) or Co(II); etim = 1-ethylimidazole, C5H8N2) were prepared in powder form and characterized by FT-IR and Raman spectroscopy, powder X-ray diffraction (PXRD), thermal (TG; DTG and DTA), and elemental analysis techniques. The structures of these complexes were elucidated using vibrational spectra and powder X-ray diffraction patterns with the peak assignment to provide a better understanding of the structures. It is shown that the spectra are consistent with a proposed crystal structure for these compounds derived from powder X-ray diffraction measurements. Vibrational spectra of the complexes were presented and discussed with respect to the internal modes of both the etim and the cyanide ligands. The C, H and N analyses were carried out for all the complexes. Thermal behaviors of these complexes were followed using TG, DTG and DTA curves in the temperature range 30-700 °C in the static air atmosphere. The FT-IR, Raman spectra, thermal and powder X-ray analyses revealed no significant differences between the single crystal and powder forms. Additionally, electrical and magnetic properties of the complexes were investigated. The FT-IR and Raman spectroscopy, PXRD, thermal and elemental analyses results propose that these complexes are similar in structure to the Hofmann-type complexes.

Diagnostic x-ray spectra measurements using a silicon surface barrier detector

International Nuclear Information System (INIS)

Pani, R.; Laitano, R.F.

1987-01-01

A silicon surface barrier detector having a low efficiency for x-ray is used to analyse diagnostic x-ray spectra. This characteristic is advantageous in overcoming experimental problems caused by high fluence rates typical of diagnostic x-ray beams. The pulse height distribution obtained with silicon surface barrier detectors is very different from the true photon spectra because of the presence of escaped Compton photons and the fact that detection efficiency falls abruptly when photon energy increases. A detailed analysis of the spurious effects involved in detection is made by a Monte Carlo method. A stripping procedure is described for implementation on a personal computer. The validity of this method is tested by comparison with experimental results obtained with a Ge detector. The spectra obtained with the Si detector are in fairly good agreement with the analogous spectra measured with a Ge detector. The advantages of using Si as opposed to Ge detectors in x-ray spectrometry are: its simplicity of use, its greater economy for use in routine diagnostic x-ray spectroscopy and the possibility that the stripping procedure can be implemented on a personal computer. (author)

The high energy X-ray spectra of supernova remnants

Science.gov (United States)

Pravdo, S. H.; Nugent, J. J.

The results of fitting an ionization-nonequilibrium (INE) model to the high-energy (above 5-keV) X-ray spectra of the young supernova remnants Cas A and Tycho are presented. As an additional constraint, the models must simultaneously fit lower-energy, higher-resolution data. For Cas A, a single INE component cannot adequately reproduce the features for the entire X-ray spectrum because the ionization structure of iron ions responsible for the K emission is inconsistent with that of the ions responsible for the lower-energy lines, and the flux of the highest-energy X-rays is underestimated. The iron K line and the high-energy continuum could arise from the same INE component, but the identification of this component with either the blast wave or the ejecta in the standard model is difficult. In Tycho, the high-energy data rule out a class of models for the lower-energy data which have too large a continuum contribution.

Analysis of X-Ray (L) spectra of heavy elements

International Nuclear Information System (INIS)

Souza Coelho, L.F. de.

1976-08-01

The general problem of obtaining and analysing spectra is presented, with emphasis in the comparison of methods for the analysis of gamma rays and X rays. The method proposed to obtain a standard and later the intensities of lines of an X-ray (L) spectrum is discussed. The good eesults obtained by the program RAIOXL, when simulated spectra are used, and by the program RAIXL1, when doublets are decomposed, are shown. In annex A, the listings of the programs used are presented, and in annex B a review is made of the analytical formulae used for adjustment of the pulses. (I.C.R.) [pt

Measurement of spectra for intra-oral X-ray beams using biological materials as attenuator

International Nuclear Information System (INIS)

Zenóbio, Madelon A.F.; Nogueira-Tavares, Maria S.; Zenóbio, Elton G.; Squair, Peterson Lima; Santos, Marcus A.P.; Silva, Teógenes A. da

2011-01-01

In diagnostic radiology, the radiation interaction probability in matter is a strong function of the X-ray energy. The knowledge of the X-ray energy spectral distribution allows optimizing the radiographic imaging system in order to obtain high quality images with as low as reasonably achievable patient doses. In this study, transmitted X-ray spectra through dentin and enamel that are existing materials in intra-oral radiology were experimentally determined in an X-ray equipment with 40–70 kV variable range. Dentin and enamel samples with 0.4–3.8 and 0.6–2.6 mm thick were used as attenuators. X-ray transmitted spectra were measured with XR-100T model CdTe detector and half-value layers (HVL) were determined. Characteristics of both dentin and enamel transmitted spectra showed that they have differences in the penetration power in matter and in the spectrum distribution. The results will be useful for phantom developments based on dentin and enamel for image quality control in dental radiology. - Highlights: ► The X-ray energy spectral distribution, optimize the radiographic imaging system. Transmitted X-ray spectra through dentin and enamel were experimentally determined. X-ray transmitted spectra were measured (XR-100T model CdTe detector). The transmitted spectra showed differences in the penetration power and spectrum distribution. Dentin and enamel transmitted spectra will be useful for phantom developments.

Envelope method for background elimination from X-ray fluorescence spectra

International Nuclear Information System (INIS)

Monakhov, V.V.; Naumenko, P.A.; Chashinskaya, O.A.

2006-01-01

The influence of the background noise caused by Bremsstrahlung on the accuracy of the envelope method at x-ray fluorescence spectra processing is studied. This is carried out by the example of model spectra at different forms of Bremsstrahlung noise as well as at the presence of background noise in spectra. The interpolation by parabolic splines is used for the estimation of the error of the envelope method for the elimination of continuos background noise. It is found out that the error of the proposed method constitutes decimal parts of percent. It is shown that the envelope method is the effective technique for the elimination of the continuous Bremsstrahlung from x-ray fluorescence spectra of the first order [ru

Probing symmetry and symmetry breaking in resonant soft-x-ray fluorescence spectra of molecules

Energy Technology Data Exchange (ETDEWEB)

Glans, P.; Gunnelin, K.; Guo, J. [Uppsala Univ. (Sweden)] [and others

1997-04-01

Conventional non-resonant soft X-ray emission brings about information about electronic structure through its symmetry and polarization selectivity, the character of which is governed by simple dipole rules. For centro-symmetric molecules with the emitting atom at the inversion center these rules lead to selective emission through the required parity change. For the more common classes of molecules which have lower symmetry or for systems with degenerate core orbitals (delocalized over identical sites), it is merely the local symmetry selectivity that provides a probe of the local atomic orbital contribution to the molecular orbital. For instance, in X-ray spectra of first row species the intensities essentially map the p-density at each particular atomic site, and, in a molecular orbital picture, the contribution of the local p-type atomic orbitals in the LCAO description of the molecular orbitals. The situation is different for resonant X-ray fluorescence spectra. Here strict parity and symmetry selectivity gives rise to a strong frequency dependence for all molecules with an element of symmetry. In addition to symmetry selectivity the strong frequency dependence of resonant X-ray emission is caused by the interplay between the shape of a narrow X-ray excitation energy function and the lifetime and vibrational broadenings of the resonantly excited core states. This interplay leads to various observable effects, such as linear dispersion, resonance narrowing and emission line (Stokes) doubling. Also from the point of view of polarization selectivity, the resonantly excited X-ray spectra are much more informative than the corresponding non-resonant spectra. Examples are presented for nitrogen, oxygen, and carbon dioxide molecules.

The structure of quasi-molecular KX-ray spectra from heavy ion collisions

International Nuclear Information System (INIS)

Kaun, K.-N.; Frank, W.; Manfrass, P.

1976-01-01

In the experiments with Ge, Nb, Kr and La ions continuum X-ray spectra having a two-component structure have been observed. Both components atr interpreted as quasi-molecular X-radiation caused by transitions to the 2psigma and 1ssigma states in the quasimolecule

Sensitivity Analysis of X-ray Spectra from Scanning Electron Microscopes

Energy Technology Data Exchange (ETDEWEB)

Miller, Thomas Martin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Patton, Bruce W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Weber, Charles F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bekar, Kursat B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2014-10-01

The primary goal of this project is to evaluate x-ray spectra generated within a scanning electron microscope (SEM) to determine elemental composition of small samples. This will be accomplished by performing Monte Carlo simulations of the electron and photon interactions in the sample and in the x-ray detector. The elemental inventories will be determined by an inverse process that progressively reduces the difference between the measured and simulated x-ray spectra by iteratively adjusting composition and geometric variables in the computational model. The intended benefit of this work will be to develop a method to perform quantitative analysis on substandard samples (heterogeneous phases, rough surfaces, small sizes, etc.) without involving standard elemental samples or empirical matrix corrections (i.e., true standardless quantitative analysis).

Quantum chemistry interpretation of x-ray spectra

International Nuclear Information System (INIS)

Bocharov, D.; Kuzmin, A.

2005-01-01

Full text: In this study, we present the results of ab initio computer simulations on X-ray absorption spectra of some perovskite-type tungsten oxides. For our calculations, we combine a periodic bulk model with Hartree-Fock method including a posteriori electron correlation corrections, as implemented in CRYSTAL98 computer code [1]. First, we describe the results of calculations performed on some bulk properties of the tungsten oxides (lattice constant and bulk modulus), in order to achieve the necessary level of agreement with available experimental and theoretical data. Our calculations on the densities of oneelectron energy states (DOS) for models of tungsten oxides are verified by experimental X-ray absorption spectra, which allow us to make correct qualitative interpretation of the latter. The main difficulties appearing during our first principles simulations will be discussed. [1] V.R. Saunders, R. Dovesi, C. Roetti, M. Causi, N.M. Harrison, R. Orlando, and C.M. Zicovich-Wilson, CRYSTAL-98 User Manual, University of Turin, 1999

Broadband X-ray spectra of the ultraluminous x-ray source Holmberg IX X-1 observed with NuSTAR, XMM-Newton, and Suzaku

DEFF Research Database (Denmark)

Walton, D. J.; Harrison, F. A.; Grefenstette, B. W.

2014-01-01

We present results from the coordinated broadband X-ray observations of the extreme ultraluminous X-ray source Holmberg IX X-1 performed by NuSTAR, XMM-Newton, and Suzaku in late 2012. These observations provide the first high-quality spectra of Holmberg IX X-1 above 10 keV to date, extending the...

Spatial power-spectra from Yohkoh soft X-ray images

Science.gov (United States)

Martens, Petrus C. H.; Gomez, Daniel O.

1992-01-01

We analyze three sequences of images from active regions, and a full disk image obtained by Yohkoh's Soft X-ray Telescope. Two sequences are from a region at center disk observed through different filters, and one sequence is from the limb. After Fourier-transforming the X-ray intensity of the images we find nearly isotropic power-spectra with an azimuthally integrated slope of -2.1 for the center disk, and -2.8 for the limb images. The full-disk picture yields a spectrum of -2.4. These results are different from the active region spectra obtained with the Normal Incidence X-ray Telescope which have a slope of the order of -3.0, and we ascribe this to the difference in temperature response between the instruments. However, both the SXT and NIXT results are consistent with coronal heating as the end result of a downward quasistatic cascade (in lengthscales) of free magnetic energy in the corona, driven by footpoint motions in the photosphere.

Quasar energy distributions. I. Soft X-ray spectra of quasars

International Nuclear Information System (INIS)

Wilkes, B.J.; Elvis, M.

1987-01-01

As the initial stage of a study of quasar energy distributions (QEDs), Einstein IPC spectra of 24 quasars are presented. These are combined with previously reported IPC spectra to form a sample of 33 quasars with well-determined soft X-ray slopes. A correlation analysis shows that radio loudness, rather than redshift or luminosity, is fundamentally related to the X-ray slope. This correlation is not followed by higher energy spectra of active galaxies. Two components are required to explain both sets of results. The best-fit column densities are systematically smaller than the Galactic values. The same effect is not present in a sample of BL Lac objects, implying that the effect is intrinsic to the quasars and is caused by a low-energy turnup in the quasar spectra. 74 references

On the origin of X-ray spectra in luminous blazars

International Nuclear Information System (INIS)

Sikora, Marek; Janiak, Mateusz; Moderski, Rafał; Nalewajko, Krzysztof; Madejski, Greg M.

2013-01-01

Gamma-ray luminosities of some quasar-associated blazars imply jet powers reaching values comparable to the accretion power even if assuming very strong Doppler boosting and very high efficiency of gamma-ray production. With much lower radiative efficiencies of protons than of electrons, and the recent reports of very strong coupling of electrons with shock-heated protons indicated by particle-in-cell simulations, the leptonic models seem to be strongly favored over the hadronic ones. However, the electron-proton coupling combined with the external-radiation-Compton (ERC) models of gamma-ray production in leptonic models predict extremely hard X-ray spectra, with energy indices α x ∼ 0. This is inconsistent with the observed 2-10 keV slopes of blazars, which cluster around α x ∼ 0.6. This problem can be resolved by assuming that electrons can be efficiently cooled down radiatively to non-relativistic energies, or that blazar spectra are entirely dominated by the synchrotron self-Compton (SSC) component up to at least 10 keV. Here, we show that the required cooling can be sufficiently efficient only at distances r < 0.03 pc. SSC spectra, on the other hand, can be produced roughly co-spatially with the observed synchrotron and ERC components, which are most likely located roughly at a parsec scale. We show that the dominant SSC component can also be produced much further than the dominant synchrotron and ERC components, at distances of ≳ 10 pc. Hence, depending on the spatial distribution of the energy dissipation along the jet, one may expect to see γ-ray/optical events with either correlated or uncorrelated X-rays. In all cases the number of e + e – pairs per proton is predicted to be very low. The direct verification of the proposed SSC scenario, and particularly the question of the co-spatiality of the SSC component with other spectral components, requires sensitive observations in the hard X-ray band. This is now possible with the deployment of the Nu

INTEGRAL hard X-ray spectra of the cosmic X-ray background and Galactic ridge emission

Science.gov (United States)

Türler, M.; Chernyakova, M.; Courvoisier, T. J.-L.; Lubiński, P.; Neronov, A.; Produit, N.; Walter, R.

2010-03-01

Aims: We derive the spectra of the cosmic X-ray background (CXB) and of the Galactic ridge X-ray emission (GRXE) in the ~20-200 keV range from the data of the IBIS instrument aboard the INTEGRAL satellite obtained during the four dedicated Earth-occultation observations in early 2006. Methods: We analyze the modulation of the IBIS/ISGRI detector counts induced by the passage of the Earth through the field of view of the instrument. Unlike previous studies, we do not fix the spectral shape of the various contributions, but model instead their spatial distribution and derive for each of them the expected modulation of the detector counts. The spectra of the diffuse emission components are obtained by fitting the normalizations of the model lightcurves to the observed modulation in different energy bins. Because of degeneracy, we guide the fits with a realistic choice of the input parameters and a constraint for spectral smoothness. Results: The obtained CXB spectrum is consistent with the historic HEAO-1 results and falls slightly below the spectrum derived with Swift/BAT. A 10% higher normalization of the CXB cannot be completely excluded, but it would imply an unrealistically high albedo of the Earth. The derived spectrum of the GRXE confirms the presence of a minimum around 80 keV with improved statistics and yields an estimate of ~0.6 M⊙ for the average mass of white dwarfs in the Galaxy. The analysis also provides updated normalizations for the spectra of the Earth's albedo and the cosmic-ray induced atmospheric emission. Conclusions: This study demonstrates the potential of INTEGRAL Earth-occultation observations to derive the hard X-ray spectra of three fundamental components: the CXB, the GRXE and the Earth emission. Further observations would be extremely valuable to confirm our results with improved statistics.

Analysis of fine structure of X-ray spectra from laser-irradiated gold dot

International Nuclear Information System (INIS)

Yang Guohong; Zhang Jiyan; Zhang Baohan; Zhou Yuqing; Li Jun

2000-01-01

The X-ray emission spectra from highly stripped plasma of gold has been observed by focusing a Nd-glass frequency tripled laser beam onto the surface of the gold dot at the XINGGUANG II laser facilities. The spectra of gold ions in the range of 0.0003 nm-0.0004 nm was recorded using the plate PET (2d = 0.8742 nm) crystal spectrometer. The code of average energy of relativistic sub-arrays was built on the basis of the code MCDF (Multi-Configuration-Dirac-Fock). Using the spin-orbit-split-arrays (SOSA) formalism, mean wavelengths and full widths at half height of isolated peaks of sub-arrays of lower charged gold ions, isoelectronic with Cu, Zn, Ga and Ge, was calculated. Twenty-six lines are interpreted, they pertain mainly to transitions of 3d-nf (n = 5,6,7) of gold ions from Ni-like to As-like. These results of experiment and calculation have important application in plasma diagnostics and examination of high Z elemental atomic structure calculation

Theoretical modeling of Comptonized X-ray spectra of super-Eddington accretion flow: Origin of hard excess in ultraluminous X-ray sources

Science.gov (United States)

Kitaki, Takaaki; Mineshige, Shin; Ohsuga, Ken; Kawashima, Tomohisa

2017-12-01

X-ray continuum spectra of super-Eddington accretion flow are studied by means of Monte Carlo radiative transfer simulations based on the radiation hydrodynamic simulation data, in which both thermal- and bulk-Compton scatterings are taken into account. We compare the calculated spectra of accretion flow around black holes with masses of MBH = 10, 102, 103, and 104 M⊙ for a fixed mass injection rate (from the computational boundary at 103 rs) of 103 LEdd/c2 (with rs, LEdd, and c being the Schwarzschild radius, the Eddington luminosity, and the speed of light, respectively). The soft X-ray spectra exhibit mass dependence in accordance with the standard-disk relation; the maximum surface temperature is scaled as T ∝ M_{ BH}^{ -1/4}. The spectra in the hard X-ray band, by contrast with soft X-ray, look to be quite similar among different models, if we normalize the radiation luminosity by MBH. This reflects that the hard component is created by thermal- and bulk-Compton scatterings of soft photons originating from an accretion flow in the overheated and/or funnel regions, the temperatures of which have no dependence on mass. The hard X-ray spectra can be reproduced by a Wien spectrum with the temperature of T ˜ 3 keV accompanied by a hard excess at photon energy above several keV. The excess spectrum can be fitted well with a power law with a photon index of Γ ˜ 3. This feature is in good agreement with that of the recent NuSTAR observations of ULXs (ultra-luminous X-ray sources).

Time-resolved x-ray spectra of laser irradiated high-Z targets

International Nuclear Information System (INIS)

Lee, P.H.Y.; Attwood, D.T.; Boyle, M.J.; Campbell, E.M.; Coleman, L.C.; Kornblum, H.N.

1977-01-01

Recent results obtained by using the Livermore 15 psec x-ray streak camera to record x-ray emission from laser-irradiated high-z targets in the 1-20 keV range are reported. Nine to eleven K-edge filter channels were used for the measurements. In the lower energy channels, a dynamic range of x-ray emission intensity of better than three orders of magnitude have been recorded. Data will be presented which describe temporally and spectrally resolved x-ray spectra of gold disk targets irradiated by laser pulses from the Argus facility, including the temporal evolution of the superthermal x-ray tail

Model independent method to deconvolve hard X-ray spectra

Energy Technology Data Exchange (ETDEWEB)

Polcaro, V.F.; Bazzano, A.; Ubertini, P.; La Padula, C. (Consiglio Nazionale delle Ricerche, Frascati (Italy). Lab. di Astrofisica Spaziale); Manchanda, R.K. (Tata Inst. of Fundamental Research, Bombay (India))

1984-07-01

A general purpose method to deconvolve the energy spectra detected by means of the use of a hard X-ray telescope is described. The procedure does not assume any form of input spectrum and the observed energy loss spectrum is directly deconvolved into the incident photon spectrum, the form of which can be determined independently of physical interpretation of the data. Deconvolution of the hard X-ray spectrum of Her X-1, detected during the HXR 81M experiment, by the method independent method is presented.

New Spectral Model for Constraining Torus Covering Factors from Broadband X-Ray Spectra of Active Galactic Nuclei

Science.gov (United States)

Baloković, M.; Brightman, M.; Harrison, F. A.; Comastri, A.; Ricci, C.; Buchner, J.; Gandhi, P.; Farrah, D.; Stern, D.

2018-02-01

The basic unified model of active galactic nuclei (AGNs) invokes an anisotropic obscuring structure, usually referred to as a torus, to explain AGN obscuration as an angle-dependent effect. We present a new grid of X-ray spectral templates based on radiative transfer calculations in neutral gas in an approximately toroidal geometry, appropriate for CCD-resolution X-ray spectra (FWHM ≥ 130 eV). Fitting the templates to broadband X-ray spectra of AGNs provides constraints on two important geometrical parameters of the gas distribution around the supermassive black hole: the average column density and the covering factor. Compared to the currently available spectral templates, our model is more flexible, and capable of providing constraints on the main torus parameters in a wider range of AGNs. We demonstrate the application of this model using hard X-ray spectra from NuSTAR (3–79 keV) for four AGNs covering a variety of classifications: 3C 390.3, NGC 2110, IC 5063, and NGC 7582. This small set of examples was chosen to illustrate the range of possible torus configurations, from disk-like to sphere-like geometries with column densities below, as well as above, the Compton-thick threshold. This diversity of torus properties challenges the simple assumption of a standard geometrically and optically thick toroidal structure commonly invoked in the basic form of the unified model of AGNs. Finding broad consistency between our constraints and those from infrared modeling, we discuss how the approach from the X-ray band complements similar measurements of AGN structures at other wavelengths.

Structure of the X-ray photoelectron spectra of fluorides and oxides of lanthanides connected with the dynamic effect

International Nuclear Information System (INIS)

Teterin, Yu.A.; Teterin, A.Yu.; Lebedev, A.M.; Utkin, I.O.; Nikitin, A.S.

1998-01-01

Impact of dynamic effect on the fine structure of the X-ray electron spectra of the lanthanide oxides and fluorides is considered. Significant complication of the Ln4p-electrons occurs due to interaction of configurations of the basic single-hole and additional two-hole finite states of the 4p 5 4d 10 4f n ↔ 4p 6 4d 8 4f n+1 type. Impact of the atoms nature of the nearest surrounding of the lanthanides ions on the parameters of such fine structure is evaluated [ru

Monte Carlo simulation of x-ray spectra in diagnostic radiology and mammography using MCNP4C

Energy Technology Data Exchange (ETDEWEB)

Ay, M R [Department of Physics and Nuclear Sciences, AmirKabir University of Technology, Tehran (Iran, Islamic Republic of); Shahriari, M [Department of Nuclear Engineering, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Sarkar, S [Department of Medical Physics, Tehran University of Medical Science, Tehran (Iran, Islamic Republic of); Adib, M [TPP Co., GE Medical Systems, Iran Authorized Distributor, Tehran (Iran, Islamic Republic of); Zaidi, H [Division of Nuclear Medicine, Geneva University Hospital, 1211 Geneva (Switzerland)

2004-11-07

The general purpose Monte Carlo N-particle radiation transport computer code (MCNP4C) was used for the simulation of x-ray spectra in diagnostic radiology and mammography. The electrons were transported until they slow down and stop in the target. Both bremsstrahlung and characteristic x-ray production were considered in this work. We focus on the simulation of various target/filter combinations to investigate the effect of tube voltage, target material and filter thickness on x-ray spectra in the diagnostic radiology and mammography energy ranges. The simulated x-ray spectra were compared with experimental measurements and spectra calculated by IPEM report number 78. In addition, the anode heel effect and off-axis x-ray spectra were assessed for different anode angles and target materials and the results were compared with EGS4-based Monte Carlo simulations and measured data. Quantitative evaluation of the differences between our Monte Carlo simulated and comparison spectra was performed using student's t-test statistical analysis. Generally, there is a good agreement between the simulated x-ray and comparison spectra, although there are systematic differences between the simulated and reference spectra especially in the K-characteristic x-rays intensity. Nevertheless, no statistically significant differences have been observed between IPEM spectra and the simulated spectra. It has been shown that the difference between MCNP simulated spectra and IPEM spectra in the low energy range is the result of the overestimation of characteristic photons following the normalization procedure. The transmission curves produced by MCNP4C have good agreement with the IPEM report especially for tube voltages of 50 kV and 80 kV. The systematic discrepancy for higher tube voltages is the result of systematic differences between the corresponding spectra.

Monte Carlo simulation of x-ray spectra in diagnostic radiology and mammography using MCNP4C

Science.gov (United States)

Ay, M. R.; Shahriari, M.; Sarkar, S.; Adib, M.; Zaidi, H.

2004-11-01

The general purpose Monte Carlo N-particle radiation transport computer code (MCNP4C) was used for the simulation of x-ray spectra in diagnostic radiology and mammography. The electrons were transported until they slow down and stop in the target. Both bremsstrahlung and characteristic x-ray production were considered in this work. We focus on the simulation of various target/filter combinations to investigate the effect of tube voltage, target material and filter thickness on x-ray spectra in the diagnostic radiology and mammography energy ranges. The simulated x-ray spectra were compared with experimental measurements and spectra calculated by IPEM report number 78. In addition, the anode heel effect and off-axis x-ray spectra were assessed for different anode angles and target materials and the results were compared with EGS4-based Monte Carlo simulations and measured data. Quantitative evaluation of the differences between our Monte Carlo simulated and comparison spectra was performed using student's t-test statistical analysis. Generally, there is a good agreement between the simulated x-ray and comparison spectra, although there are systematic differences between the simulated and reference spectra especially in the K-characteristic x-rays intensity. Nevertheless, no statistically significant differences have been observed between IPEM spectra and the simulated spectra. It has been shown that the difference between MCNP simulated spectra and IPEM spectra in the low energy range is the result of the overestimation of characteristic photons following the normalization procedure. The transmission curves produced by MCNP4C have good agreement with the IPEM report especially for tube voltages of 50 kV and 80 kV. The systematic discrepancy for higher tube voltages is the result of systematic differences between the corresponding spectra.

X-Ray Absorption with Transmission X-Ray Microscopes

NARCIS (Netherlands)

de Groot, F.M.F.

2016-01-01

In this section we focus on the use of transmission X-ray microscopy (TXM) to measure the XAS spectra. In the last decade a range of soft X-ray and hard X-ray TXM microscopes have been developed, allowing the measurement of XAS spectra with 10–100 nm resolution. In the hard X-ray range the TXM

Nitrogen K-edge X-ray absorption near edge structure (XANES) spectra of purine-containing nucleotides in aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Shimada, Hiroyuki; Fukao, Taishi; Minami, Hirotake; Ukai, Masatoshi [Department of Applied Physics, Tokyo University of Agriculture and Technology, Koganei-shi, Tokyo 184-8588 (Japan); Fujii, Kentaro; Yokoya, Akinari [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Fukuda, Yoshihiro; Saitoh, Yuji [Synchrotron Radiation Research Center, Japan Atomic Energy Agency, Sayo-gun, Hyougo 679-5148 (Japan)

2014-08-07

The N K-edge X-ray absorption near edge structure (XANES) spectra of the purine-containing nucleotide, guanosine 5{sup ′}-monophosphate (GMP), in aqueous solution are measured under various pH conditions. The spectra show characteristic peaks, which originate from resonant excitations of N 1s electrons to π* orbitals inside the guanine moiety of GMP. The relative intensities of these peaks depend on the pH values of the solution. The pH dependence is explained by the core-level shift of N atoms at specific sites caused by protonation and deprotonation. The experimental spectra are compared with theoretical spectra calculated by using density functional theory for GMP and the other purine-containing nucleotides, adenosine 5{sup ′}-monophosphate, and adenosine 5{sup ′}-triphosphate. The N K-edge XANES spectra for all of these nucleotides are classified by the numbers of N atoms with particular chemical bonding characteristics in the purine moiety.

THE XMM-NEWTON X-RAY SPECTRA OF THE MOST X-RAY LUMINOUS RADIO-QUIET ROSAT BRIGHT SURVEY-QSOs: A REFERENCE SAMPLE FOR THE INTERPRETATION OF HIGH-REDSHIFT QSO SPECTRA

International Nuclear Information System (INIS)

Krumpe, M.; Markowitz, A.; Lamer, G.; Corral, A.

2010-01-01

We present the broadband X-ray properties of four of the most X-ray luminous (L X ≥ 10 45 erg s -1 in the 0.5-2 keV band) radio-quiet QSOs found in the ROSAT Bright Survey. This uniform sample class, which explores the extreme end of the QSO luminosity function, exhibits surprisingly homogenous X-ray spectral properties: a soft excess with an extremely smooth shape containing no obvious discrete features, a hard power law above 2 keV, and a weak narrow/barely resolved Fe Kα fluorescence line for the three high signal-to-noise ratio (S/N) spectra. The soft excess can be well fitted with only a soft power law. No signatures of warm or cold intrinsic absorbers are found. The Fe Kα centroids and the line widths indicate emission from neutral Fe (E = 6.4 keV) originating from cold material from distances of only a few light days or further out. The well-constrained equivalent widths (EW) of the neutral Fe lines are higher than expected from the X-ray Baldwin effect which has been only poorly constrained at very high luminosities. Taking into account our individual EW measurements, we show that the X-ray Baldwin effect flattens above L X ∼ 10 44 erg s -1 (2-10 keV band) where an almost constant (EW) of ∼100 eV is found. We confirm the assumption of having very similar X-ray active galactic nucleus properties when interpreting stacked X-ray spectra. Our stacked spectrum serves as a superb reference for the interpretation of low S/N spectra of radio-quiet QSOs with similar luminosities at higher redshifts routinely detected by XMM-Newton and Chandra surveys.

Galactic and extragalactic hydrogen in the X-ray spectra of Gamma Ray Bursts

Science.gov (United States)

Rácz, I. I.; Bagoly, Z.; Tóth, L. V.; Balázs, L. G.; Horváth, I.; Pintér, S.

2017-07-01

Two types of emission can be observed from gamma-ray bursts (GRBs): the prompt emission from the central engine which can be observed in gamma or X-ray (as a low energy tail) and the afterglow from the environment in X-ray and at shorter frequencies. We examined the Swift XRT spectra with the XSPEC software. The correct estimation of the galactic interstellar medium is very important because we observe the host emission together with the galactic hydrogen absorption. We found that the estimated intrinsic hydrogen column density and the X-ray flux depend heavily on the redshift and the galactic foreground hydrogen. We also found that the initial parameters of the iteration and the cosmological parameters did not have much effect on the fitting result.

Lifetime-vibrational interference effects in resonantly excited x-ray emission spectra of CO

Energy Technology Data Exchange (ETDEWEB)

Skytt, P.; Glans, P.; Gunnelin, K. [Uppsala Univ. (Sweden)] [and others

1997-04-01

The parity selection rule for resonant X-ray emission as demonstrated for O{sub 2} and N{sub 2} can be seen as an effect of interference between coherently excited degenerate localized core states. One system where the core state degeneracy is not exact but somewhat lifted was previously studied at ALS, namely the resonant X-ray emission of amino-substituted benzene (aniline). It was shown that the X-ray fluorescence spectrum resulting from excitation of the C1s at the site of the {open_quotes}aminocarbon{close_quotes} could be described in a picture separating the excitation and the emission processes, whereas the spectrum corresponding to the quasi-degenerate carbons could not. Thus, in this case it was necessary to take interference effects between the quasi-degenerate intermediate core excited states into account in order to obtain agreement between calculations and experiment. The different vibrational levels of core excited states in molecules have energy splittings which are of the same order of magnitude as the natural lifetime broadening of core excitations in the soft X-ray range. Therefore, lifetime-vibrational interference effects are likely to appear and influence the band shapes in resonant X-ray emission spectra. Lifetime-vibrational interference has been studied in non-resonant X-ray emission, and in Auger spectra. In this report the authors discuss results of selectively excited soft X-ray fluorescence spectra of molecules, where they focus on lifetime-interference effects appearing in the band shapes.

Electron-electron correlation, resonant photoemission and X-ray emission spectra

International Nuclear Information System (INIS)

Parlebas, J.C.; Kotani, Akio; Tanaka, Satoshi.

1991-01-01

In this short review paper we essentially focus on the high energy spectroscopies which involve second order quantum processes, i.e., resonance photoemission, Auger and X-ray emission spectroscopies, denoted respectively by RXPS, AES and XES. First, we summarize the main 3p-RXPS and AES results obtained in Cu and Ni metals; especially we recall that the satellite near the 3p-threshold in the spectra, which arises from a d-hole pair bound state, needs a careful treatment of the electron-electron correlation. Then we analyze the RXPS spectra in a few Ce compounds (CeO 2 , Ce 2 O 3 and CeF 3 ) involving 3d or 4d core levels and we interpret the spectra consistently with the other spectroscopies, such as core XPS and XAS which are first order quantum processes. Finally within the same one-impurity model and basically with the same sets of parameters, we review a theory for the Ce 5p→3d XES, as well as for the corresponding RXES, where (1) the incident X-ray is tuned to resonate with the 3d→4f transition and (2) the X-ray emission due to the 5p→3d transition is actually observed. The paper ends with a general discussion. (author) 77 refs

Time-resolved soft x-ray spectra from laser-produced Cu plasma

International Nuclear Information System (INIS)

Cone, K.V.; Dunn, J.; Baldis, H.A.; May, M.J.; Purvis, M.A.; Scott, H.A.; Schneider, M.B.

2012-01-01

The volumetric heating of a thin copper target has been studied with time resolved x-ray spectroscopy. The copper target was heated from a plasma produced using the Lawrence Livermore National Laboratory's Compact Multipulse Terrawatt (COMET) laser. A variable spaced grating spectrometer coupled to an x-ray streak camera measured soft x-ray emission (800-1550 eV) from the back of the copper target to characterize the bulk heating of the target. Radiation hydrodynamic simulations were modeled in 2-dimensions using the HYDRA code. The target conditions calculated by HYDRA were post-processed with the atomic kinetics code CRETIN to generate synthetic emission spectra. A comparison between the experimental and simulated spectra indicates the presence of specific ionization states of copper and the corresponding electron temperatures and ion densities throughout the laser-heated copper target.

A model independent method to deconvolve hard X-ray spectra

International Nuclear Information System (INIS)

Polcaro, V.F.; Bazzano, A.; Ubertini, P.; La Padula, C.

1984-01-01

A general purpose method to deconvolve the energy spectra detected by means of the use of a hard X-ray telescope is described. The procedure does not assume any form of input spectrum and the observed energy loss spectrum is directly deconvolved into the incident photon spectrum, the form of which can be determined independently of physical interpretation of the data. Deconvolution of the hard X-ray spectrum of Her X-1, detected during the HXR 81M experiment, by the method independent method is presented. (orig.)

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.

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

International Nuclear Information System (INIS)

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

2009-01-01

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

Modeling X-ray Spectra of Astrophysical Plasmas: Current Status and Future Needs

Science.gov (United States)

Smith, Randall

Existing high-resolution astrophysical X-ray spectra has exposed the need for high-quality atomic data of all stripes: wavelengths, collisional and absorption cross sections, and radiative rates. The Astro-H soft X-ray spectrometer (2015 launch) will vastly increase the number and type of high-resolution X-ray spectra available and likely expose a number of shortcomings in our models. I will describe recent advances in theoretical calculations and laboratory measurements, as well as a number of existing needs in the field. These include accurate soft X-ray wavelengths for L-shell ions, diagnostic emission line ratios with estimated error bars, and high-resolution absorption cross sections for abundant ions and molecules. Finally, new models of emission from non-equilibrium ionization plasmas and astrophysical charge exchange will be discussed. This latter emission arises due to the interaction of highly charged ions with neutral atoms, forming a diffuse background in the case of solar wind ions and possibly also arising in more distant environments.

Changes of soft X-ray emission spectra of oxygen and copper in high Tc superconductors

International Nuclear Information System (INIS)

Fukushima, Sei; Gohshi, Yohichi; Kohiki, Shigemi; Saitoh, Naoki

1989-01-01

X-ray induced soft X-ray emission spectroscopy is one of the bulk analysis methods used to characterize high-Tc superconductor. In this report, some observations on the changes in O Kα and Cu L spectra of thin layer LnBa 2 Cu 3 O 7-δ (Ln=Er,Gd) samples are presented. From the measurement of O Kα, no discernible difference was found between those of Gd compounds which were composed single phase or not. It may be said that the electronic structure of p state localized on the O is not sensitive to the change of Tc or zero-resistance temperature. From the measurement of Cu L spectra, it was found that Cu Lα of only Gd containing compounds has a low energy shoulder

Transmission properties of barite mortar using X-ray spectra measured with Cd Te detector

Energy Technology Data Exchange (ETDEWEB)

Santos, J. C.; Mariano, L.; Costa, P. R. [Universidade de Sao Paulo, Instituto de Fisica, Rua do Matao Travessa R. 187, Cidade Universitaria, 05508-090 Sao Paulo (Brazil); Tomal, A., E-mail: josilene@usp.br [Universidade Federal de Goias, Instituto de Fisica, Campus Samambaia, 74001-970 Goiania (Brazil)

2014-08-15

Current methods for calculating X-ray shielding barriers do not take into account spectral distribution of the beam transmitted by the protective material. This consideration is important in dose estimations for radiation workers and general public in diagnostic radiology facilities. The aim of the present study was to estimate barite mortar attenuation curves using X-ray spectra weighted by a workload distribution. These curves were described in units of ambient dose equivalent (H (10)), since it is the radiation quantity adopted by IAEA for dose assessment in medical environment. Attenuation curves were determined using the optimized model for shielding evaluation presented by Costa and Caldas (2002). Workload distribution presented by Simpkin (1996), measured primary spectra and mass attenuation coefficients of barite mortar were used as input data in this model. X-ray beams in diagnostic energy range were generated by an industrial X-ray tube with 3 mm of aluminum additional filtration. Primary experimental spectra were measured by a Cd Te detector and corrected by the response function of detector by means of a stripping procedure. Air kerma measurements were performed using an ionization chamber for normalization purpose of the spectra. The corrected spectra presented good agreement with spectra generated by a semi-empirical model. The variation of the ambient dose equivalent as a function of barite mortar thickness was calculated. Using these data, it was estimated the optimized thickness of protective barrier needed for shielding a particular area in an X-ray imaging facility. The results obtained for primary protective barriers exhibit qualitative agreement with those presented in literature. (Author)

Krypton K-shell X-ray spectra recorded by the HENEX spectrometer

Energy Technology Data Exchange (ETDEWEB)

Seely, J.F. [Naval Research Laboratory, Space Science Division, Washington DC 20375 (United States)]. E-mail: john.seely@nrl.navy.mil; Back, C.A. [Lawrence Livermore National Laboratory, Livermore CA 94550 (United States); Constantin, C. [Lawrence Livermore National Laboratory, Livermore CA 94550 (United States); Lee, R.W. [Lawrence Livermore National Laboratory, Livermore CA 94550 (United States); Chung, H.-K. [Lawrence Livermore National Laboratory, Livermore CA 94550 (United States); Hudson, L.T. [National Institute of Standards and Technology, Gaithersburg MD 20899 (United States); Szabo, C.I. [National Institute of Standards and Technology, Gaithersburg MD 20899 (United States); Henins, A. [National Institute of Standards and Technology, Gaithersburg MD 20899 (United States); Holland, G.E. [SFA Inc., 9315 Largo Drive West Suite 200, Largo MD 20774 (United States); Atkin, R. [Tiger Innovations, L.L.C., 3610 Vacation Lane, Arlington VA 22207 (United States); Marlin, L. [Naval Research Laboratory, Space Science Division, Washington DC 20375 (United States)

2006-05-15

High-resolution X-ray spectra were recorded by the High-Energy Electronic X-ray (HENEX) spectrometer from a variety of targets irradiated by the Omega laser at the Laboratory for Laser Energetics. The HENEX spectrometer utilizes four reflection crystals covering the 1-20keV energy range and one quartz(10-11) transmission crystal (Laue geometry) covering the 11-40keV range. The time-integrated spectral images were recorded on five CMOS X-ray detectors. In the spectra recorded from krypton-filled gasbag and hohlraum targets, the helium-like K-shell transitions n=1-2, 1-3, and 1-4 appeared in the 13-17keV energy range. A number of additional spectral features were observed at energies lower than the helium-like n=1-3 and n=1-4 transitions. Based on computational simulations of the spectra using the FLYCHK/FLYSPEC codes, which included opacity effects, these additional features are identified to be inner-shell transitions from the Li-like through N-like krypton charge states. The comparisons of the calculated and observed spectra indicate that these transitions are characteristic of the plasma conditions immediately after the laser pulse when the krypton density is 2x10{sup 18}cm{sup -3} and the electron temperature is in the range 2.8-3.2keV. These spectral features represent a new diagnostic for the charge state distribution, the density and electron temperature, and the plasma opacity. Laboratory experiments indicate that it is feasible to record K-shell spectra from gold and higher Z targets in the >60keV energy range using a Ge(220) transmission crystal.

Secondary electronic processes and the structure of X-ray photoelectron spectra of lanthanides in oxygen-containing compounds

International Nuclear Information System (INIS)

Teterin, Yu.A.; Teterin, A.Yu.; Lebedev, A.M.; Ivanov, K.E.

2004-01-01

X-ray photoelectron spectra of lanthanide compounds in the binding energy range 0-1250 eV beside the spin-orbitally split doublets exhibit fine structure. In particular, in the low-energy spectral range 0-50 eV such structure appears most likely due to the formation of the inner (IVMO) and outer (OVMO) valence molecular orbitals. The many-body perturbation shows up in the spectra of all the studied electronic shells but with different probabilities, while the multiplet splitting and dynamic effect in the spectra of just some inner shells. The present work studies the X-ray photoelectron spectral structure of lanthanide (La-Lu except for Pm) oxides and orthoniobates due to the secondary electronic processes accompanying the photoemission from the inner shells: many-body perturbation and dynamic effect. As a result, for example, the relative intensity of the line due to the many-body perturbation (shake-up process) with ΔE sat ∼4 eV for LaNbO 4 was found to decrease with decreasing of the binding energy of the inner electrons from 0.72 (E b for La 3d 5/2 =834.8 eV) to 0.28 (E b for La 4d 5/2 =102.9 eV). The full-width at half-maximum of the Ln 3d 5/2 line of lanthanide oxides and orthoniobates decreases as the atomic number Z of lanthanide grows in the range 58≤Z≤67 to the middle of the lanthanide row, and then increases. This agrees with the fact that for the beginning of the lanthanide row the Ln 3d 5/2 photoemission is accompanied by the shake-up process, while for the second half of the row--by the shake-down. It is important to note that it is connected with the Ln 4f binding energy change relative to the OVMO in compounds. The present work also confirms experimentally that the dynamic effect due to the gigantic Coster-Kronig transitions observed in the Ln 4p spectra takes place within the inner Ln 4p, 4d and outer Ln 4f shells with formation of the additional two-hole final state Ln 4p 6 4d 8 4f n+1 . The influence of the chemical environment on the Ln 4

Soft x-ray absorption spectroscopy on Co doped ZnO: structural distortions and electronic structure

International Nuclear Information System (INIS)

Kowalik, I A; Guziewicz, E; Godlewski, M; Arvanitis, D

2016-01-01

We present soft x-ray absorption spectra from a series of Co doped ZnO films. We discuss systematic variations of the Co L-edge white line intensity and multiplet features for this series of samples. We document sizeable differences in the electronic state of the Co ionic cores, as well as in the local environment of the host lattice atoms, characterised by means of x-ray absorption spectra at the O K-edge and Zn L-edges. Model calculations allow to correlate the observed effects to small structural distortions of the ZnO lattice. (paper)

High-energy X-ray spectra of Cygnus XR-1 observed from OSO 8

Science.gov (United States)

Dolan, J. F.; Crannell, C. J.; Dennis, B. R.; Frost, K. J.; Orwig, L. E.

1979-01-01

X-ray spectra of Cygnus XR-1 were measured with the scintillation spectrometer aboard the OSO 8 satellite during a period of one-and-one-half to three weeks in each of the years from 1975 to 1977. Typical spectra of the source between 15 and 250 keV are presented and the spectra are found to be well represented by a single power-law expression whose photon number spectral index is different for the two intensity states that were considered. The observed pivoting effect is consistent with two-temperature accretion disk models of the X-ray emitting region.

Electronic Structures of Purple Bronze KMo6O17 Studied by X-Ray Photoemission Spectra

Science.gov (United States)

Qin, Xiaokui; Wei, Junyin; Shi, Jing; Tian, Mingliang; Chen, Hong; Tian, Decheng

X-ray photoemission spectroscopy study has been performed for the purple bronze KMo6O17. The structures of conduction band and valence band are analogous to the results of ultraviolet photoemission spectra and are also consistent with the model of Travaglini et al., but the gap between conduction and valence band is insignificant. The shape of asymmetric and broadening line of O-1s is due to unresolved contributions from the many inequivalent oxygen sites in this crystal structure. Mo 3d core-level spectrum reveals that there are two kinds of valence states of Molybdenum (Mo+5 and Mo+6). The calculated average valence state is about +5.6, which is consistent with the expectation value from the composition of this material. The tail of Mo-3d spectrum toward higher binding energy is the consequence of the excitation of electron-hole pairs with singularity index of 0.21.

First Principles Calculations for X-ray Resonant Spectra and Elastic Properties

International Nuclear Information System (INIS)

Yongbin Lee

2006-01-01

In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB 14

X-Ray Absorption Spectra of Amorphous Ices from GW Quasiparticle Calculation

Science.gov (United States)

Kong, Lingzhu; Car, Roberto

2013-03-01

We use a GW approach[2] to compute the x-ray absorption spectra of model low- and high-density amorphous ice structures(LDA and HDA)[3]. We include the structural effects of quantum zero point motion using colored-noise Langevin molecular dynamics[4]. The calculated spectra differences in the main and post edge region between LDA and HDA agree well with experimental observations. We attribute these differences to the presence of interstitial molecules within the first coordination shell range in HDA. This assignment is further supported by a calculation of the spectrum of ice VIII, a high-pressure structure that maximizes the number of interstitial molecules and, accordingly, shows a much weaker post-edge feature. We further rationalize the spectral similarity between HDA and liquid water, and between LDA and ice Ih in terms of the respective similarities in the H-bond network topology and bond angle distributions. Supported by grants DOE-DE-SC0005180, DOE DE-SC0008626 and NSF-CHE-0956500.

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

International Nuclear Information System (INIS)

Yano, Junko

2016-01-01

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

Lα1 satellites in X-ray emission spectra of higher - Z elements

International Nuclear Information System (INIS)

Poonia, S.

2004-01-01

Full text: The X-ray satellite spectra arising due to 2p 3/2 -1 3x -1 - 3x -1 3d -1 (x ≡ s, p, d) transition array, in elements with Z 74 to 92, have been calculated. While the energies of various transitions of the array have been determined by using available Hartree-Fock-Slater data on 1s -1 - 2p -1 3x -1 and 2p 3/2 -1 - 3x -1 , 3x' -1 Auger transition energies and their relative intensities have been estimated by considering cross - sections of singly ionized 2x -1 (x ≡ s, p) states and then of subsequent Coster-Kronig and shake off processes. The calculated spectra have been compared with the measured satellite energies in Lα1 spectra. Their intense peaks have been identified as the observed satellite lines. The one to one correspondence between the peaks in calculated spectra and the satellites in measured spectra has been established on the basis of the agreement between the separations in the peak energies and those in the measured satellite energies. It has been established that three satellites observed in the Lα 1 region of the X-ray spectra of various elements and named α', α ix and α x in order of increasing energy are mainly emitted by 2p 3/2 -1 3d -1 - 3d -2 transitions. It is observed that the satellite α' in all these spectra can be assigned to the superposition of 3 F 4 - 3 F 4 transition and that this must be most intense one out of all these satellites, contributing in order of decreasing intensity. The line α ix , has been assigned to mainly the 1 F 3 - 1 G 4 , 1 P 1 - 1 D 2 and 1 F 3 - 1 D 2 transitions. Finally, the satellite α x , reported in the spectra of elements with Z = 74-92, has been associated with the transition 3 D 3 - 3 F 4 . The possible contributions of other transitions of the 2p 3/2 -1 3x -1 - 3x -1 3d -1 (x ≡ s, p, d) array having appreciable intensities, have also been discussed

Analysis of neon soft x-ray spectra from short-pulse laser-produced plasmas

International Nuclear Information System (INIS)

Abare, A.C.; Keane, C.J.; Crane, J.K.; DaSilva, L.B.; Lee, R.W.; Perry, M.D.; Falcone, R.W.

1993-04-01

We report preliminary results from the analysis of streaked soft x-ray neon spectra a gas jet target. In obtained from the interaction of a picosecond Nd:glass laser with these experiments streaked spectra show prompt harmonic emission followed by longer time duration soft x-ray line emission. The majority of the line emission observed was found to originate from Li- and Be-like Ne and the major transitions in the observed spectra have been identified. Li-like emission lines were observed to decay faster in time than Be-like transitions, suggesting that recombination is taking place. Line ratios of n=4-2 and n=3-2 transitions supported the view that these lines were optically thin and thick, respectively. The time history of Li-like Ne 2p-4d and 2p-3d lines is in good agreement with a simple adiabatic expansion model coupled to a time dependent collisional-radiative code. Further x-ray spectroscopic analysis is underway which is aimed at diagnosing plasma conditions and assessing the potential of this recombining neon plasma as a quasi-steady-state recombination x-ray laser medium

An accurate method for computer-generating tungsten anode x-ray spectra from 30 to 140 kV.

Science.gov (United States)

Boone, J M; Seibert, J A

1997-11-01

A tungsten anode spectral model using interpolating polynomials (TASMIP) was used to compute x-ray spectra at 1 keV intervals over the range from 30 kV to 140 kV. The TASMIP is not semi-empirical and uses no physical assumptions regarding x-ray production, but rather interpolates measured constant potential x-ray spectra published by Fewell et al. [Handbook of Computed Tomography X-ray Spectra (U.S. Government Printing Office, Washington, D.C., 1981)]. X-ray output measurements (mR/mAs measured at 1 m) were made on a calibrated constant potential generator in our laboratory from 50 kV to 124 kV, and with 0-5 mm added aluminum filtration. The Fewell spectra were slightly modified (numerically hardened) and normalized based on the attenuation and output characteristics of a constant potential generator and metal-insert x-ray tube in our laboratory. Then, using the modified Fewell spectra of different kVs, the photon fluence phi at each 1 keV energy bin (E) over energies from 10 keV to 140 keV was characterized using polynomial functions of the form phi (E) = a0[E] + a1[E] kV + a2[E] kV2 + ... + a(n)[E] kVn. A total of 131 polynomial functions were used to calculate accurate x-ray spectra, each function requiring between two and four terms. The resulting TASMIP algorithm produced x-ray spectra that match both the quality and quantity characteristics of the x-ray system in our laboratory. For photon fluences above 10% of the peak fluence in the spectrum, the average percent difference (and standard deviation) between the modified Fewell spectra and the TASMIP photon fluence was -1.43% (3.8%) for the 50 kV spectrum, -0.89% (1.37%) for the 70 kV spectrum, and for the 80, 90, 100, 110, 120, 130 and 140 kV spectra, the mean differences between spectra were all less than 0.20% and the standard deviations were less than approximately 1.1%. The model was also extended to include the effects of generator-induced kV ripple. Finally, the x-ray photon fluence in the units of

On the Weak-Wind Problem in Massive Stars: X-Ray Spectra Reveal a Massive Hot Wind in mu Columbae

Science.gov (United States)

Huenemoerder, David P.; Oskinova, Lidia M.; Ignace, Richard; Waldron, Wayne L.; Todt, Helge; Hamaguchi, Kenji; Kitamoto, Shunji

2012-01-01

Mu Columbae is a prototypical weak-wind O star for which we have obtained a high-resolution X-ray spectrum with the Chandra LETG/ACIS instrument and a low-resolution spectrum with Suzaku. This allows us, for the first time, to investigate the role of X-rays on the wind structure in a bona fide weak-wind system and to determine whether there actually is a massive hot wind. The X-ray emission measure indicates that the outflow is an order of magnitude greater than that derived from UV lines and is commensurate with the nominal wind-luminosity relationship for O stars. Therefore, the "weak-wind problem"--identified from cool wind UV/optical spectra--is largely resolved by accounting for the hot wind seen in X-rays. From X-ray line profiles, Doppler shifts, and relative strengths, we find that this weak-wind star is typical of other late O dwarfs. The X-ray spectra do not suggest a magnetically confined plasma-the spectrum is soft and lines are broadened; Suzaku spectra confirm the lack of emission above 2 keV. Nor do the relative line shifts and widths suggest any wind decoupling by ions. The He-like triplets indicate that the bulk of the X-ray emission is formed rather close to the star, within five stellar radii. Our results challenge the idea that some OB stars are "weak-wind" stars that deviate from the standard wind-luminosity relationship. The wind is not weak, but it is hot and its bulk is only detectable in X-rays.

Finite temperature effects on the X-ray absorption spectra of energy related materials

Science.gov (United States)

Pascal, Tod; Prendergast, David

2014-03-01

We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li2SO4, Li2O, Li3N and Li2CO3 using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole (XCH) approach. Based on thermodynamic sampling via ab-initio molecular dynamics (MD) simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1 s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. This work was conducted within the Batteries for Advanced Transportation Technologies (BATT) Program, supported by the U.S. Department of Energy Vehicle Technologies Program under Contract No. DE-AC02-05CH11231.

Traditional x-ray imaging

International Nuclear Information System (INIS)

Hay, G.A.

1982-01-01

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

Laboratory Studies of X-ray Spectra Formed by Charge Exchange

Science.gov (United States)

Beiersdorfer, Peter; Ali, R.; Brown, G. V.; Koutroumpa, D.; Kelley, R. L.; Kilbourne, C.; Leutenegger, M. A.; Porter, F.

2013-04-01

Charge exchange between ions and neutral atoms or molecules has been accepted at an important soft producing process in our solar system. By extension, charge exchange may contribute to the X-ray emission of circumstellar material. It may also produce X-ray emission at the boundaries of supernova ejecta and star burst galaxies, or whenever hot plasma collides with neutral matter. X-ray spectra of K-shell and L-shell ions formed by charge exchange have now been studied in a variety of laboratory settings. These experiments have shown several characteristic features of line formation by charge exchange when compared to the X-ray emission produced by electron-impact excitation, e.g., enhancement emission of forbidden lines and of lines from levels with high principal quantum number. They have also shown a dependence on the interaction gas and on the energy of the ion-neutral collision. Moreover, the transfer of multiple electrons is typically preferred, provided the donor molecules or atoms have multiple valence-shell electrons. The laboratory measurements are in qualitative agreement with theory. However, the details of the observed X-ray spectra, especially those recorded with high spectral resolution, can differ substantially from predictions, especially for spectra produced at collision velocities equal to or lower than those found in thermal plasmas or produced with neutral gases other than atomic hydrogen. Puzzling discrepancies can be noted, such as enhanced emission from an upper level with the 'wrong' principal quantum number. Even more puzzling is a recent experiment in which two, co-mixed bare ion species of similar atomic number produce very different Lyman series emission upon charge exchange with a given neutral gas, defying both theoretical predictions and empirical scaling. Laboratory measurements have also shown that some of the characteristic features of charge exchange can be reproduced by radiative electron capture, i.e., by capture of a continuum

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

International Nuclear Information System (INIS)

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

2006-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2006-11-15

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

Determination of semi-reducing layer and applied stress through spectra emitted by an X-ray tube

International Nuclear Information System (INIS)

Santos, Josilene C.; Gonzalez, Alejandro H.L.; Terini, Ricardo A.; Costa, Paulo R.

2016-01-01

This work describes a method for assessment of half value layer (HVL) and peak tube voltage (kVp) by means of experimental x-ray spectra measured using a CdTe detector. The work also evaluated spectrometry parameters such as dead time and count rate, and x-ray tube characteristics that can affect the assessment of these quantities. Two sets of x-ray spectra were measured: A) using Cu filters with different thicknesses and fixed tube current, and B) keeping a fixed Cu filtration and different tube current and, so, ranging the count rates. The spectrometer was energy calibrated using standard radioactive sources. kVp value was estimated by means of experimental measured x-ray spectra, using linear regression in order to search the end point of each spectrum. HVL was estimated after the correction of the measured spectra, using an analytical method implemented using Matlab® software. For comparison, HVL was also determined using a 30 cm"3 ion chamber and high purity Al filters. (author)

Measurement of X-ray spectra by PIN photodiode: comparative study

International Nuclear Information System (INIS)

Costa, Paulo R.; Furquim, Tania A.C.; Herdade, Silvio B.

1996-01-01

Two different approaches for the evaluation of diagnostic X-ray spectra are presented : one based on a semiempirical model and other based on measurements using a silicon PIN photodiode. Measured and calculated values using typical kVp and filter combinations are compared

Determination of half value layer and applied voltage from emitted spectra by an X-ray tube

International Nuclear Information System (INIS)

Santos, Josilene C.; Gonzales, Alejandro H.L.; Terini, Ricardo A.; Costa, Paulo R.

2016-01-01

This work describes a method for assessment of half value layer (HVL) and peak tube voltage (kVp) applied in an X-ray tube by means of experimental X-ray spectra measured using a CdTe detector. It was assessed some parameters that can affect the evaluation of these quantities such as dead time, count rate and tube current (mA). For this study, two sets of X-ray spectra were measured: Set A), spectra measurements using Cu filters with different thicknesses (1.8 - 5.4 mm) and fixed tube current; Set B), spectra measurements keeping a fixed Cu filtration and varying tube current (0.5 - 3.0 mA). The experimental setup for the Set A spectra measurements allowed the assessment of the HVL and kVp for different count rates and dead time in the detection system, while the Set B setup allowed to assess the dependence of these quantities with the tube current. The spectrometer was energy calibrated using standard X/γ rays radioactive sources. The tube voltage values were estimated by means of experimental measured X-ray spectra, using linear regression in order to search the end point of each spectrum. The spectra correction was performed using the stripping procedure developed for the Matlab® software and the HVL values were derived from these corrected spectra. For comparison, HVL was also determined using a 30 cm"3 ion chamber and high purity Al filters. The results show that it is possible to determine the kVp with accuracy and reproducibility using spectra with dead time of up to 10%. In spite of this, the values obtained showed a deviation of up to 7 kV, for spectra measured using the same nominal tube voltage different tube current values, indicating dependence between these two parameters. (author)

Quantum many-body effects in x-ray spectra efficiently computed using a basic graph algorithm

Science.gov (United States)

Liang, Yufeng; Prendergast, David

2018-05-01

The growing interest in using x-ray spectroscopy for refined materials characterization calls for an accurate electronic-structure theory to interpret the x-ray near-edge fine structure. In this work, we propose an efficient and unified framework to describe all the many-electron processes in a Fermi liquid after a sudden perturbation (such as a core hole). This problem has been visited by the Mahan-Noziéres-De Dominicis (MND) theory, but it is intractable to implement various Feynman diagrams within first-principles calculations. Here, we adopt a nondiagrammatic approach and treat all the many-electron processes in the MND theory on an equal footing. Starting from a recently introduced determinant formalism [Phys. Rev. Lett. 118, 096402 (2017), 10.1103/PhysRevLett.118.096402], we exploit the linear dependence of determinants describing different final states involved in the spectral calculations. An elementary graph algorithm, breadth-first search, can be used to quickly identify the important determinants for shaping the spectrum, which avoids the need to evaluate a great number of vanishingly small terms. This search algorithm is performed over the tree-structure of the many-body expansion, which mimics a path-finding process. We demonstrate that the determinantal approach is computationally inexpensive even for obtaining x-ray spectra of extended systems. Using Kohn-Sham orbitals from two self-consistent fields (ground and core-excited state) as input for constructing the determinants, the calculated x-ray spectra for a number of transition metal oxides are in good agreement with experiments. Many-electron aspects beyond the Bethe-Salpeter equation, as captured by this approach, are also discussed, such as shakeup excitations and many-body wave function overlap considered in Anderson's orthogonality catastrophe.

The effect of SNR structure on non-equilibrium X-ray spectra

International Nuclear Information System (INIS)

Hamilton, A.J.S.; Sarazin, C.L.

1983-01-01

A technique is presented for characterizing the ionization structure and consequent thermal X-ray emission of a SNR when non-equilibrium ionization effects are important. The technique allows different theoretical SNR models to be compared and contrasted rapidly in advance of detailed numerical computations. In particular it is shown that the spectrum of a Sedov remnant can probably be applied satisfactorily in a variety of SNR structures, including the reverse shock model advocated by Chevalier (1982) for Type I SN, the isothermal similarity solution of Solinger, Rappaport and Buff (1975), and various inhomogenous or 'messy' structures. (Auth.)

On hard X-ray spectra of accreting neutron stars

International Nuclear Information System (INIS)

Zheleznyakov, V.V.

1982-01-01

Formation of the spectra of X-ray pulsars and gamma bursters is investigated. Interpretation of a hard X-ray spectrum of pulsars containing cyclotron lines is feasible on the basis of an isothermal model of a polar spot heated due to acccretion to a neutron star. It has been ascertained that in the regions responsible for the formation of continuum radiation and lines the mode polarization is determined by a magnetized vacuum rather than by a plasma. Bearing this in mind, the influence of the magnetic field of a star on the wide wings of the cyclotron line and on its depth is discussed. The part played by the accreting column in the case of strong accretion (approx. equal to 10 19 el cm -3 ) needed for long sustaining of the high level of X-rays from a neutron star-pulsar is studied. There occur the gaps in spectrum at frequencies close to the electron gyro-frequency and its harmonics due to the screening of the hot spot by the opaque gyro-resonant layer located within the accreting column. These gaps ensure the formation of cyclotron lines in absorption irrespective of the presence of such lines in the X-ray spectrum of a polar hot spot. (orig./WL)

Effects of phonon broadening on x-ray near-edge spectra in molecular crystals

Science.gov (United States)

Vinson, John; Jach, Terrence; Elam, Tim; Denlinger, Jonathon

2014-03-01

Calculations of near-edge x-ray spectra are often carried out using the average atomic coordinates from x-ray or neutron scattering experiments or from density functional theory (DFT) energy minimization. This neglects disorder from thermal and zero-point vibrations. Here we look at the nitrogen K-edge of ammonium chloride and ammonium nitrate, comparing Bethe-Salpeter calculations of absorption and fluorescence to experiment. We find that intra-molecular vibrational effects lead to significant, non-uniform broadening of the spectra, and that for some features zero-point motion is the primary source of the observed shape.

Experimental and Monte Carlo simulated spectra of a liquid-metal-jet x-ray source

International Nuclear Information System (INIS)

Marziani, M.; Gambaccini, M.; Di Domenico, G.; Taibi, A.; Cardarelli, P.

2014-01-01

A prototype x-ray system based on a liquid-metal-jet anode was evaluated within the framework of the LABSYNC project. The generated spectrum was measured using a CZT-based spectrometer and was compared with spectra simulated by three Monte Carlo codes: MCNPX, PENELOPE and EGS5. Notable differences in the simulated spectra were found. These are mainly attributable to differences in the models adopted for the electron-impact ionization cross section. The simulation that more closely reproduces the experimentally measured spectrum was provided by PENELOPE. - Highlights: • The x-ray spectrum of a liquid-jet x-ray anode was measured with a CZT spectrometer. • Results were compared with Monte Carlo simulations using MCNPX, PENELOPE, EGS5. • Notable differences were found among the Monte Carlo simulated spectra. • The key role was played by the electron-impact ionization cross-section model used. • The experimentally measured spectrum was closely reproduced by the PENELOPE code

Spatially resolved X-ray spectra of coronal active regions

International Nuclear Information System (INIS)

Catura, R.C.; Acton, L.W.; Joki, E.G.; Rapley, C.G.; Culhane, J.L.

1975-01-01

X-ray spectra from a number of coronal active regions were obtained during ATM support rocket flights carried out by the Lockheed group on June 11 and December 19, 1973. Multi-grid collimators were used to provide fields of view of 40ins. diameter and 90ins. diameter for a number of scanning crystal spectrometers and a bent crystal spectrometer which employed a position sensitive proportional counter to register the diffracted spectrum. A solar image was produced on film and on a TV camera on board the rocket with the aid of a 1 A Hα filter. A small part of the X-ray collimator was used to generate a multiple spot diffraction pattern which was superimposed on the Hα image and the composite picture was transmitted to the ground. Pre-launch calibrations allowed the spot corresponding to the X-ray collimator axis to be identified and so the collimator pointing direction on the solar disc was controlled from the ground by means of commands sent to the rocket. (Auth.)

Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.

Science.gov (United States)

Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

2014-09-28

The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d(5)) model systems with well-known electronic structure, viz., atomic Fe(3+), high-spin [FeCl6](3-) with ligand donor bonding, and low-spin [Fe(CN)6](3-) that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

The X-ray spectra of clusters of galaxies and their relationship to other cluster properties

International Nuclear Information System (INIS)

Mitchell, R.J.; Dickens, R.J.; Burnell, S.J.B.; Culhane, J.L.

1979-01-01

New observations with the MSSL proportional counter spectrometer on the Ariel V satellite of the X-ray spectra of 20 candidate clusters of galaxies are reported. The data are compared with the results from the OSO-8 satellite and the combined sample of some 30 cluster X-ray spectra are analysed. The present study finds generally larger values of Lsub(X) than do Uhuru or the SSI, which, because of the larger field of view, may indicate significant amounts of hot gas away from the cluster centres. The validity of all X-ray cluster identifications has been examined, and sources have been classified according to certainty of identification. The incidence of X-ray line emission from the clusters has been investigated and temperatures, kTsub(X), have been derived on the basis of an isothermal model. Relationships between X-ray, optical and radio properties of the clusters have been studied. The more massive, centrally condensed clusters generally contain higher temperature gas and have a greater luminosity than the less massive, more irregular clusters. (author)

Photoelectron spectra and electronic structure of some spiroborate complexes

Energy Technology Data Exchange (ETDEWEB)

Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

2014-12-15

Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

Coronal temperature diagnostics from high-resolution soft X-ray spectra

Science.gov (United States)

Strong, K. T.; Claflin, E. S.; Lemen, J. R.; Linford, G. A.

1988-01-01

The problem of deriving the temperature of the coronal plasma from soft X-ray spectra is discussed. Spectral atlas scans of the soft X-ray spectrum from the Flat Crystal Spectrometer on the Solar Maximum Mission are compared with theoretical predictions of the relative intensities of some of the brighter lines to determine which line intensity ratios give the most reliable temperature diagnostics. The techniques considered include line widths, He-like G ratios, intensity ratios, and ratios of lines formed by different elements. It is found that the best temperature diagnostics come from the ratios of lines formed by successive ionization stages of the same element.

High resolution krypton M/sub 4,5/ x-ray emission spectra

International Nuclear Information System (INIS)

Perera, R.C.C.; Hettrick, M.C.; Lindle, D.W.

1987-10-01

High resolution M/sub 4,5/ (3d → 4p) x-ray emission spectra from a krypton plasma were measured using a recently developed grazing-incidence reflection-grating monochromator/spectrometer with very high flux rates at extreme ultraviolet and soft x-ray wave lengths. The nominal resolving power of the instrument, E/ΔE, is about 300 in this energy range (∼80 eV). Three dipole-allowed 3d → 4p emission lines were observed at 80.98 eV, 80.35 eV and 79.73 eV. A broad peak at about 82.3 eV is tentatively assigned to transitions resulting from Kr 2+ , and effects of excitation energy on M/sub 4,5/ x-ray emission were observed. 9 refs., 3 figs., 1 tab

Comparison of hard X-ray spectra obtained by spectrometers on Hinotori and SMM and detection of 'superhot' component

Science.gov (United States)

Nitta, Nariaki

1988-01-01

Hard X-ray spectra in solar flares obtained by the broadband spectrometers aboard Hinotori and SMM are compared. Within the uncertainty brought about by assuming the typical energy of the background X-rays, spectra by the Hinotori spectrometer are usually consistent with those by the SMM spectrometer for flares in 1981. On the contrary, flares in 1982 persistently show 20-50-percent higher flux by Hinotori than by SMM. If this discrepancy is entirely attributable to errors in the calibration of energy ranges, the errors would be about 10 percent. Despite such a discrepancy in absolute flux, in the the decay phase of one flare, spectra revealed a hard X-ray component (probably a 'superhot' component) that could be explained neither by emission from a plasma at about 2 x 10 to the 7th K nor by a nonthermal power-law component. Imaging observations during this period show hard X-ray emission nearly cospatial with soft X-ray emission, in contrast with earlier times at which hard and soft X-rays come from different places.

Structure of X-ray photoelectron spectra of low-energy and core electrons of Ln(C6H4OCH3COO-3

Directory of Open Access Journals (Sweden)

Teterin Yury A.

2005-01-01

Full Text Available This paper deals with the results of an X-ray photo electron spectroscopy of lanthanide ortho-metoxybenzoates Ln(C6H4OCH3COO-3, where Ln represents lanthanides La through Lu except for Pm and C6H4OCH3COO- - residuum of ortho-metoxybenzoic acid. The core and outer electron X-ray photo electron spectroscopy spectra in the binding energy range of 0-1250 eV were shown to exhibit a complex, fine structure. The said structure was established due to the outer (0-15 eV binding energy and inner (15-50 eV binding energy valence molecular orbital from the filled Ln5p and O2s atomic shells multiple splitting, many-body perturbation, dynamic effect, etc. The mechanisms of such a fine structure formation were shown to manifest different probabilities in the spectrum of a certain electronic shell. There fore, the fine X-ray photo electron spectroscopy spectral structure resulting from a certain mechanism can be interpreted and its quantitative parameters related to the physical and chemical properties of the studied com pounds (degree of delocalization and participation of Ln4f electrons in the chemical bond, electronic configuration and oxidation states, density of uncoupled electrons on paramagnetic ions, degree of participation of the low binding energy filled electronic shells of lanthanide and ligands information of the outer and in nervalence molecular orbitals, lanthanide close environment structure in amorphous materials, etc.

single crystal growth, x-ray structure analysis, optical band gap

African Journals Online (AJOL)

2015-09-01

Sep 1, 2015 ... Hg...Hgand Cl...Cl interactions are stabilizing the structures in 3D pattern. UV-vis absorption spectra illustrate the change in opticalband gap from 3.01eVto 3.42eV on replacing the metal halide group.Raman and Hyper-Raman tensors calculations were performed based on single crystal X-ray data and the ...

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

Science.gov (United States)

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

2018-04-13

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

Microanalysis of iron oxidation state in iron oxides using X Ray Absorption Near Edge Structure (XANES)

Science.gov (United States)

Sutton, S. R.; Delaney, J.; Bajt, S.; Rivers, M. L.; Smith, J. V.

1993-01-01

An exploratory application of x ray absorption near edge structure (XANES) analysis using the synchrotron x ray microprobe was undertaken to obtain Fe XANES spectra on individual sub-millimeter grains in conventional polished sections. The experiments concentrated on determinations of Fe valence in a suite of iron oxide minerals for which independent estimates of the iron speciation could be made by electron microprobe analysis and x ray diffraction.

NEWFIT, a computer program for the analysis of alpha, X-ray and gamma-ray spectra

International Nuclear Information System (INIS)

Welch, R.B.; Gyger, F.; Jost, D.T.; Gunten, H.R. von; Kraehenbuehl, U.

1988-01-01

The computer program NEWFIT has been developed for analysis of gamma-ray, X-ray and alpha spectra. The general shape used for the analysis of activity peaks is a Gaussian function. An exponential tail can be added for use in alpha spectra analysis. The algorithms to analyze the peak shapes and the program operation are presented. Special features include the ability to create realistic peak shapes based on the systematic deviations of the real peaks from the theoretical Gaussian shape, as well as the option to constrain the calculated areas of peaks from a given emitting nuclide to their relative branching ratios. The program is available from the authors. (orig.)

X-ray photoelectron spectra and electronic structure of quasi-one-dimensional SbSeI crystals

Directory of Open Access Journals (Sweden)

J.Grigas

2007-01-01

Full Text Available The paper presents the X-ray photoelectron spectra (XPS of the valence band (VB and of the principal core levels from the (110 and (001 crystal surfaces for the quasi-one-dimensional high permittivity SbSeI single crystal isostructural to ferroelectric SbSI. The XPS were measured with monochromatized Al Ka radiation in the energy range of 0-1400 eV at room temperature. The VB is located from 1.6 to 20 eV below the Fermi level. Experimental energies of the VB and core levels are compared with the results of theoretical ab initio calculations of the molecular model of the SbSeI crystal. The electronic structure of the VB is revealed. Shifts in the core-level binding energies of surface atoms relative to bulk ones, which show a dependency on surface crystallography, have been observed. The chemical shifts of the core levels (CL in the SbSeI crystal for the Sb, I and Se states are obtained.

Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations

International Nuclear Information System (INIS)

Schmidt, Norman; Fink, Rainer; Hieringer, Wolfgang

2010-01-01

The C 1s and N 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of three prototype tetraphenyl porphyrin (TPP) molecules are discussed in the framework of a combined experimental and theoretical study. We employ time-dependent density-functional theory (TDDFT) to compute the NEXAFS spectra of the open- and closed-shell metalloporphyrins CoTPP and ZnTPP as well as the free-base 2HTPP in realistic nonplanar conformations. Using Becke's well-known half-and-half hybrid functional, the computed core excitation spectra are mostly in good agreement with the experimental data in the low-energy region below the appropriate ionization threshold. To make these calculations feasible, we apply a new, simple scheme based on TDDFT using a modified single-particle input spectrum. This scheme is very easy to implement in standard codes and allows one to compute core excitation spectra at a similar cost as ordinary UV/vis spectra even for larger molecules. We employ these calculations for a detailed assignment of the NEXAFS spectra including subtle shifts in certain peaks of the N 1s spectra, which depend on the central coordination of the TPP ligand. We furthermore assign the observed NEXAFS resonances to the individual molecular subunits of the investigated TPP molecules.

Determination of x-ray spectra incident on and transmitted through whole excised breast for improved mammographic exposing technique

International Nuclear Information System (INIS)

Haus, A.G.; Metz, C.E.; Doi, K.; Bernstein, J.

1976-01-01

Measurements were made of x-ray spectra incident on and transmitted through whole excised fresh breast tissue. The spectra and corresponding radiographs show that hardening of the x-ray beam from a molybdenum anode x-ray tube by a 0.5 mm Al filter instead of the conventional 0.03 mm Mo filter allows shorter exposure times and reduces patient radiation exposure. With the Al filter, acceptable image contrast is preserved in mammography of thick or dense breasts

Influence of smoothing of X-ray spectra on parameters of calibration model

International Nuclear Information System (INIS)

Antoniak, W.; Urbanski, P.; Kowalska, E.

1998-01-01

Parameters of the calibration model before and after smoothing of X-ray spectra have been investigated. The calibration model was calculated using multivariate procedure - namely the partial least square regression (PLS). Investigations have been performed on an example of six sets of various standards used for calibration of some instruments based on X-ray fluorescence principle. The smoothing methods were compared: regression splines, Savitzky-Golay and Discrete Fourier Transform. The calculations were performed using a software package MATLAB and some home-made programs. (author)

The Zone of Avoidance as an X-ray absorber - the role of the galactic foreground modelling Swift XRT spectra

Science.gov (United States)

Racz, I. I.; Bagoly, Z.; Tóth, L. V.; Balázs, L. G.; Horvath, I.; Zahorecz, S.

2018-05-01

Gamma-ray bursts (GRBs) are the most powerful explosive events in the Universe. The prompt gamma emission is followed by an X-ray afterglow that is also detected for over nine hundred GRBs by the Swift BAT and XRT detectors. The X-ray afterglow spectrum bears essential information about the burst, and the surrounding interstellar medium (ISM). Since the radiation travels through the line of sight intergalactic medium and the ISM in the Milky Way, the observed emission is influenced by extragalactic and galactic components. The column density of the Galactic foreground ranges several orders of magnitudes, due to both the large scale distribution of ISM and its small scale structures. We examined the effect of local HI column density on the penetrating X-ray emission, as the first step towards a precise modeling of the measured X-ray spectra. We fitted the X-ray spectra using the Xspec software, and checked how the shape of the initially power low spectrum changes with varying input Galactic HI column density. The total absorbing HI column is a sum of the intrinsic and Galactic component. We also investigated the model results for the intrinsic component varying the Galactic foreground. We found that such variations may alter the intrinsic hydrogen column density up to twenty-five percent. We will briefly discuss its consequences.

The influence of magnetic field geometry on magnetars X-ray spectra

International Nuclear Information System (INIS)

Viganò, D; Pons, J A; Miralles, J A; Parkins, N; Zane, S; Turolla, R

2012-01-01

Nowadays, the analysis of the X-ray spectra of magnetically powered neutron stars or magnetars is one of the most valuable tools to gain insight into the physical processes occurring in their interiors and magnetospheres. In particular, the magnetospheric plasma leaves a strong imprint on the observed X-ray spectrum by means of Compton up-scattering of the thermal radiation coming from the star surface. Motivated by the increased quality of the observational data, much theoretical work has been devoted to develop Monte Carlo (MC) codes that incorporate the effects of resonant Compton scattering (RCS) in the modeling of radiative transfer of photons through the magnetosphere. The two key ingredients in this simulations are the kinetic plasma properties and the magnetic field (MF) configuration. The MF geometry is expected to be complex, but up to now only mathematically simple solutions (self-similar solutions) have been employed. In this work, we discuss the effects of new, more realistic, MF geometries on synthetic spectra. We use new force-free solutions [14] in a previously developed MC code [9] to assess the influence of MF geometry on the emerging spectra. Our main result is that the shape of the final spectrum is mostly sensitive to uncertain parameters of the magnetospheric plasma, but the MF geometry plays an important role on the angle-dependence of the spectra.

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

International Nuclear Information System (INIS)

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

2004-01-01

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

Modeling of X-ray images and energy spectra produced by stepping lightning leaders

OpenAIRE

Xu , Wei; Marshall , Robert A.; Celestin , Sébastien; Pasko , Victor P.

2017-01-01

International audience; Recent ground-based measurements at the International Center for Lightning Research and Testing (ICLRT) have greatly improved our knowledge of the energetics, fluence, and evolution of X-ray emissions during natural cloud-to-ground (CG) and rocket-triggered lightning flashes. In this paper, using Monte Carlo simulations and the response matrix of unshielded detectors in the Thunderstorm Energetic Radiation Array (TERA), we calculate the energy spectra of X-rays as woul...

A method to unfold the efficiency of gaseous detectors exposed to broad X-ray spectra

International Nuclear Information System (INIS)

Almeida, Gevaldo L. de; Souza, Maria Ines S. de; Lopes, Ricardo T.

2000-01-01

A method to obtain the efficiency of a gaseous detector exposed to broad energy X-ray spectra was developed. It consists in the de-convolution of the integrated detector response using the shapes of those spectra as a tool to unfold the aimed detector efficiency curve. For this purpose, the spectra emitted by a X-ray tube under several anode voltages, were properly characterized through measurements with a NaI(Tl) spectrometer. A Lorentz function was then fitted to each of the spectra, and their parameters expressed as a function of the anode voltage, by using polynomial and gaussian fittings. The integral of the product of each Lorentz function, by another unknown Lorentz function, expressing the detector efficiency curve, represents the response of the detector for each anode tension, e.g., each X-ray spectrum. The symbolical integration of that product, produces a general function containing the unknown parameters of the unknown efficiency curve. A non-linear fitting of this general function, to the detector response points, as experimentally obtained, generates the aimed parameters for the efficiency curve. The final detector efficiency curve is obtained after normalization procedures. (author)

X-ray spectra and time variability of active galactic nuclei

International Nuclear Information System (INIS)

Mushotzky, R.F.

1984-02-01

The X-ray spectra of broad line active galactic nuclei (AGN) of all types (Seyfert I's, NELG's, broadline radio galaxies) are well fit by a power law in the .5 to 100 keV band of man energy slope alpha .68 + or - .15. There is, as yet, no strong evidence for time variability of this slope in a given object. The constraints that this places on simple models of the central energy source are discussed. BL Lac objects have quite different X-ray spectral properties and show pronounced X-ray spectral variability. On time scales longer than 12 hours most radio quiet AGN do not show strong, delta I/I .5, variability. The probability of variability of these AGN seems to be inversely related to their luminosity. However characteristics timescales for variability have not been measured for many objects. This general lack of variability may imply that most AGN are well below the Eddington limit. Radio bright AGN tend to be more variable than radio quiet AGN on long, tau approx 6 month, timescales

The Soft X-Ray Spectra of Sulfur Compounds.

Science.gov (United States)

Zhou, Ling

1995-01-01

The sulfur compounds including CdS, ZnS, rm MoS_2, WS_2, NiS, FeS, GaS, SnS, MgS and Alloy rm ZnS_{x }Se_{1-x} were investigated by using photon/e-beam excited soft x-ray spectroscopy through SXA, SXE, SXF and inelastic Resonant Raman scattering and resonant elastic scattering processes. For valence bands, the PDOS of S L_{2,3}, Zn M_{2,3}, Se M _{4,5}, bands locations, band gaps Eg, core level spin splitting, the lifetime broadening of valence band t_{1/2}, branching ratio of rm L_2/L_3 and shallow d level and exciton state were measured in some of these materials respectively. The excitation mechanism or threshold effects were studied for CdS, ZnS, MoS_2, WS_2, FeS, NiS, and alloy. In photon excited S L_ {2,3}^ectra, local core levels with spin splitting were found to charge threshold effects. The threshold effects are also found to be influenced by resonant elastic and inelastic scattering process. A simple model and the second order perturbation theory are used to explain the observed inelastic Raman scattering of Zn M _{2,3} spectra near d threshold. The d participation in the chemical bonding and interactions was studied. Atomiclike d bands were found in FeS and NiS from strong d-d and d-p couplings. Two groups of d bands were observed in Transitional Metal Sulfides (TMS) and the no-bonding group with a few d bands was found to across whole valence bands in TMS. The direct connection between valence bands and conduction bands is built and some conduction bands were studied. A study of alloy was included briefly. These experiments provide a rich information about TMS, and prove that Soft X-ray Spectroscopy is a powerful, precise and reliable tool in the study of fine electronic band structure in solids.

Quantifying the effect of anode surface roughness on diagnostic x-ray spectra using Monte Carlo simulation

Energy Technology Data Exchange (ETDEWEB)

Mehranian, A.; Ay, M. R.; Alam, N. Riyahi; Zaidi, H. [Department of Medical Physics and Biomedical Engineering, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of) and Research Center for Science and Technology in Medicine, Tehran University of Medical Sciences, P.O. Box 14185-615, Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of); Research Center for Science and Technology in Medicine, Tehran University of Medical Sciences, P.O. Box 14185-615, Tehran (Iran, Islamic Republic of) and Research Institute for Nuclear Medicine, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of); Department of Medical Physics and Biomedical Engineering, Tehran University of Medical Sciences, P.O. Box 14155-6447, Tehran (Iran, Islamic Republic of); Division of Nuclear Medicine, Geneva University Hospital, CH-1211 Geneva (Switzerland) and Geneva Neuroscience Center, Geneva University, CH-1205 Geneva (Switzerland)

2010-02-15

Purpose: The accurate prediction of x-ray spectra under typical conditions encountered in clinical x-ray examination procedures and the assessment of factors influencing them has been a long-standing goal of the diagnostic radiology and medical physics communities. In this work, the influence of anode surface roughness on diagnostic x-ray spectra is evaluated using MCNP4C-based Monte Carlo simulations. Methods: An image-based modeling method was used to create realistic models from surface-cracked anodes. An in-house computer program was written to model the geometric pattern of cracks and irregularities from digital images of focal track surface in order to define the modeled anodes into MCNP input file. To consider average roughness and mean crack depth into the models, the surface of anodes was characterized by scanning electron microscopy and surface profilometry. It was found that the average roughness (R{sub a}) in the most aged tube studied is about 50 {mu}m. The correctness of MCNP4C in simulating diagnostic x-ray spectra was thoroughly verified by calling its Gaussian energy broadening card and comparing the simulated spectra with experimentally measured ones. The assessment of anode roughness involved the comparison of simulated spectra in deteriorated anodes with those simulated in perfectly plain anodes considered as reference. From these comparisons, the variations in output intensity, half value layer (HVL), heel effect, and patient dose were studied. Results: An intensity loss of 4.5% and 16.8% was predicted for anodes aged by 5 and 50 {mu}m deep cracks (50 kVp, 6 deg. target angle, and 2.5 mm Al total filtration). The variations in HVL were not significant as the spectra were not hardened by more than 2.5%; however, the trend for this variation was to increase with roughness. By deploying several point detector tallies along the anode-cathode direction and averaging exposure over them, it was found that for a 6 deg. anode, roughened by 50 {mu}m deep

OSO 8 X-ray spectra of clusters of galaxies. I - Observations of twenty clusters: Physical correlations

Science.gov (United States)

Mushotzky, R. F.; Serlemitsos, P. J.; Boldt, E. A.; Holt, S. S.; Smith, B. W.

1978-01-01

OSO 8 X-ray spectra from 2 to 20 keV have been analyzed for 26 clusters of galaxies. For 20 clusters temperatures, emission integrals, iron abundances, and low-energy absorption measurements are presented. The data give, in general, better fits to thermal bremsstrahlung than to power-law models. Eight clusters have positive iron emission-line detections at the 90% confidence level, and all 20 cluster spectra are consistent with Fe/H = 0.000014 by number with the possible exception of Virgo. Thus it is confirmed that X-ray emission in this energy band is predominantly thermal radiation from hot intracluster gas rather than inverse Compton radiation. Physical correlations between X-ray spectral parameters and other cluster properties are examined. It is found that (1) the X-ray temperature is approximately proportional to the square of the velocity dispersion of the galaxies; (2) the emission integral is a strong function of the X-ray temperature; (3) the X-ray temperature and emission integral are better correlated with cluster central-galaxy density than with richness; and (4) the fraction of galaxies which are spirals is correlated with the observed ram pressure in the cluster core.

An iterative method for unfolding time-resolved soft x-ray spectra of laser plasmas

International Nuclear Information System (INIS)

Tang Yongjian; Shen Kexi; Xu Hepin

1991-01-01

Dante-recorded temporal waveforms have been unfolded by using Fast Fourier transformation (FFT) and the inverted convolution theorem of Fourier analysis. The conversion of the signals to time-dependent soft x-ray spectra is accomplished on the IBM-PC/XT-286 microcomputer system with the code DTSP including SAND II reported by W.N.Mcelory et al.. An amplitude-limited iterative and periodic smoothing technique has been developed in the code DTSP. Time-resolved soft x-ray spectra with sixteen time-cell, and time-dependent radiation, [T R (t)], have been obtained for hohlraum targets irradiated with laser beams (λ = 1.06 μm) on LF-12 in 1989

Simulation of pulse height analysis soft X-ray spectra expected from W7-X

Science.gov (United States)

Jabłoński, S.; Czarnecka, A.; Kubkowska, M.; Ryć, L.; Weller, A.; Biedermann, C.; König, R.; W7-X Team

2015-10-01

A computer code named RayX has been developed for checking the performance of a spectroscopy system and optimizing individual parts, like detectors and filters for the pulse height analysis (PHA) diagnostic system designed for the stellarator W7-X. Using the code, the intensity and shape of the X-ray spectra are simulated for different plasma scenarios characterized by varying the temperature and density profiles as well as the electron cyclotron resonance heating (ECRH) power over a wide range. In the simulations of the recorded spectra, the influence of geometrical configuration changes of the diagnostic system (pinhole size, detector size, location of each diagnostic component), of the timing of data collection, as well as of the type and thickness of filters are being investigated. The atomic processes of free-free (bremsstrahlung), free-bound (recombination radiation), and bound-bound emission (line radiation) are considered. For the impurities fractional abundancies of 3% carbon (C), 0.5% oxygen (O) and 0.002% iron (Fe) are taken into account. Information about the number of photons which reach the detector and the current generated inside the detector is given. It is shown that the distance between pinhole and detector has a larger impact on the registered spectra (intensity and total number of photons) than the distance between plasma and pinhole. Based on the results of the simulations, the expected optimal positions of the individual components (pinholes, detectors) were defined for the PHA W7-X diagnostic system. A shorter version of this contribution is due to be published in PoS at: 1st EPS conference on Plasma Diagnostics

Changes in X-ray photoelectron spectra of yttria-tetragonal zirconia polycrystal by ion sputtering

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Eiko; Yoshinari, Masao [Tokyo Dental College, Oral Health Science Center, Tokyo, Chiyoda-ku (Japan)

2016-04-15

This paper reports changes in X-ray photoelectron spectroscopy spectra of yttria-tetragonal zirconia polycrystal (Y-TZP) brought about by Ar ion sputtering. The changes in the core-level spectra of Y-TZP suggest that preferential sputtering of oxygen occurred. A new peak was observed near 0 eV binding energy accompanied with changes in the core-level spectra by the sputtering. After 18 h in a high vacuum following the sputtering, the spectra changed by the sputtering were returned to their original shapes. In contrast, the color of Y-TZP was changed from white to pale brown by X-ray irradiation and was changed from pale brown to dark gray by ion sputtering. However, when the new peak near 0 eV decreased after 18 h, no color change was observed. Therefore, it is thought that the new peak was mainly derived from electrons trapped in various kinds of oxygen vacancies created by the sputtering in other than color centers. (orig.)

X-ray spectroscopy of electronic structure of amorphous silicon and silicyne

International Nuclear Information System (INIS)

Mashin, A.I.; Khokhlov, A.F.; Mashin, N.I.; Domashevskaya, Eh.P.; Terekhov, V.A.

2001-01-01

SiK β and SiL 23 emission spectra of crystalline silicon (c-Si), amorphous hydrogenated silicon (α-Si:H) and silicyne have been studied by X-ray and ultrasoft X-ray spectroscopy. It is observed that SiL 23 emission spectra of silicyne displays not two maximums, as it usually observed for the c-Si and α-Si:H, but three ones. The third one is seen at high energies near 95.7 eV, and has an intensity about 75%. An additional maximum in the short- wave part of SiK β emission spectrum is observed. This difference of shapes of X-ray spectra between α-Si:H and silicyne is explained by the presence in silicyne a strong π-component of chemical bonds of a silicon atoms in silicyne [ru

SU-F-I-76: Fluoroscopic X-Ray Beam Profiles for Spectra Incorporating Copper Filtration

Energy Technology Data Exchange (ETDEWEB)

Wunderle, K [Cleveland Clinic Foundation, Cleveland, OH (United States); Wayne State University School of Medicine, Detroit, MI (United States); Godley, A; Shen, Z; Dong, F [Cleveland Clinic Foundation, Cleveland, OH (United States); Rakowski, J [Wayne State University School of Medicine, Detroit, MI (United States)

2016-06-15

Purpose: The purpose of this investigation is to characterize and quantify X-ray beam profiles for fluoroscopic x-ray beam spectra incorporating spectral (copper) filtration. Methods: A PTW (Freiburg, Germany) type 60016 silicon diode detector and PTW MP3 water tank were used to measure X-ray beam profiles for 60, 80, 100 and 120 kVp x-ray beams at five different copper filtration thicknesses ranging from 0–0.9 mm at 22 and 42 cm fields of view and depths of 1, 5, and 10 cm in both the anode-cathode axis (inplane) and cross-plane directions. All measurements were acquired on a Siemens (Erlangen, Germany) Artis ZeeGo fluoroscope inverted from the typical orientation providing an x-ray beam originating from above the water surface with the water level set at 60 cm from the focal spot. Results: X-ray beam profiles for beam spectra without copper filtration compared well to previously published data by Fetterly et al. [Med Phys, 28, 205 (2001)]. Our data collection benefited from the geometric orientation of the fluoroscope, providing a beam perpendicular to the tank water surface, rather than through a thin side wall as did the previously mentioned study. Profiles for beams with copper filtration were obtained which have not been previously investigated and published. Beam profiles in the anode-cathode axis near the surface and at lower x-ray energy exhibited substantial heel effect, which became less pronounced at greater depth. At higher energy with copper filtration in the beam, the dose falloff out-of-field became less pronounced, as would be anticipated given higher scatter photon energy. Conclusion: The x-ray beam profile data for the fluoroscopic x-ray beams incorporating copper filtration are intended for use as reference data for estimating doses to organs or soft tissue, including fetal dose, involving similar beam qualities or for comparison with mathematical models.

Studies of the X-ray absorption spectra of some methylcyano esters

International Nuclear Information System (INIS)

Takahashi, Osamu; Saito, Ko; Mitani, Masaki; Yoshida, Hiroaki; Tahara, Fumitaka; Sunami, Tetsuji; Waki, Keiichiro; Senba, Yasunori; Hiraya, Atsunari; Pettersson, Lars G.M.

2005-01-01

Density functional theory (DFT) has been applied to simulate core-excited photoabsorption spectra for some methylcyano esters within a transition potential (TP) framework. Our calculations for methylcyano formate at the N and O K-edges are consistent with previous experimental spectra. For methylcyano acetate the photoabsorption spectra at the N and O K-edges were reinvestigated experimentally. Contrary to the previous experiment, only one main peak was observed at the N K-edge and this peak was assigned to N(1s) ->π* excitation. This result was supported by our theoretical calculations. The general trends in the X-ray absorption spectra and the site-specific bond scission of methylcyano esters at the N and O K-edges are also discussed

Characterization of the structural and optical properties of CuIn{sub 1−x}Ga{sub x}Se{sub 2} QJ;thin films by X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Wu, Ya-Fen, E-mail: yfwu@mail.mcut.edu.tw [Department of Electronic Engineering, Ming Chi University of Technology, New Taipei City 243, Taiwan (China); Hsu, Hung-Pin [Department of Electronic Engineering, Ming Chi University of Technology, New Taipei City 243, Taiwan (China); Chen, Hung-Ing [Department of Electronic Engineering, Chang Gung University, Taoyuan 333, Taiwan (China)

2013-10-15

The structural and optical properties of Cu-poor CuIn{sub 1−x}Ga{sub x}Se{sub 2} thin films with different gallium contents grown using the co-evaporated technique were studied. Measurements of X-ray diffraction (XRD), temperature-dependent photoluminescence (PL), and photoreflectance (PR) were performed on the samples. The emission peaks in the PL spectra and PR spectra observed around 1.0–1.2 eV are attributed to donor–acceptor pairs and defect-related luminescence. With increasing gallium content, the linewidths of the luminescence spectra for the samples become wider, which we attribute to greater statistical disordering between indium and gallium. The structural properties of the CuIn{sub 1−x}Ga{sub x}Se{sub 2} thin films are further characterized by simulation of the XRD spectra with a theoretical model. It is found that the sample with higher gallium content exhibits less uniformity of microstructure size. The X-ray diffraction line profile analysis also shows a stronger internal strain in the sample with the higher gallium content, which is consistent with its broader microstructure size distribution. The conversion efficiency of the CuIn{sub 1−x}Ga{sub x}Se{sub 2}-based solar cells is also obtained and investigated through theoretical analysis. The experimental results coincide with the inferences given by the X-ray diffraction line profile analysis. -- Highlights: • Co-evaporated CuIn{sub 1−x}Ga{sub x}Se{sub 2} thin films with different gallium contents were studied. • XRD line profiles from the samples are analyzed by a theoretical model. • Less size uniformity and higher internal strain are obtained for high gallium sample. • The efficiency of CIGS solar cells is investigated through theoretical analysis. • The inferences from XRD spectra analysis coincide with experimental measurements.

X ray spectra and qualities for use in diagnostic radiology and equipment calibration

International Nuclear Information System (INIS)

Souza, Karla Cristina de

1996-12-01

The goal of this work was the standardization of radiation qualities of diagnostic X ray equipment of the Assay Laboratory of the Institute for Radiation Protection and Dosimetry (IRD) of the National Commission of Nuclear Energy, Brazil. X ray spectra were determined from pulse height distribution measured directly on the primary beam using a high pure planar Ge detector. A program was developed to convert pulse height distribution into radiation spectra in the range from 20 to 150 keV. X ray qualities based on those used by the 'Physikalish-Technish Bundesantalt' (PTB) primary laboratory were implanted in three radiological equipment of the Assay Laboratory. These qualities simulate radiation beams on patients submitted to typical radiological examinations. Besides the spectrometric system, a reference measurement system based on an ionization chamber calibrated in air kerma was used to establish parameters such as kilovoltage, first and second half-value layer, mean energy, effective energy and inherent filtration. Our data have shown that the implantation of these radiation qualities in the Assay Laboratory results on a metrological basis for calibration of dose measurement assemblies and kV-meters, like those used by IRD to evaluate the parameters of X ray equipment around the country. A catalogue of spectral data resulting from this work is a data bank that allows various applications like dose calculation using Monte Carlo simulation techniques. (author)

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.

Modeling of X-ray Images and Energy Spectra Produced by Stepping Lightning Leaders

Science.gov (United States)

Xu, Wei; Marshall, Robert A.; Celestin, Sebastien; Pasko, Victor P.

2017-11-01

Recent ground-based measurements at the International Center for Lightning Research and Testing (ICLRT) have greatly improved our knowledge of the energetics, fluence, and evolution of X-ray emissions during natural cloud-to-ground (CG) and rocket-triggered lightning flashes. In this paper, using Monte Carlo simulations and the response matrix of unshielded detectors in the Thunderstorm Energetic Radiation Array (TERA), we calculate the energy spectra of X-rays as would be detected by TERA and directly compare with the observational data during event MSE 10-01. The good agreement obtained between TERA measurements and theoretical calculations supports the mechanism of X-ray production by thermal runaway electrons during the negative corona flash stage of stepping lightning leaders. Modeling results also suggest that measurements of X-ray bursts can be used to estimate the approximate range of potential drop of lightning leaders. Moreover, the X-ray images produced during the leader stepping process in natural negative CG discharges, including both the evolution and morphological features, are theoretically quantified. We show that the compact emission pattern as recently observed in X-ray images is likely produced by X-rays originating from the source region, and the diffuse emission pattern can be explained by the Compton scattering effects.

Dynamics of hot spots in the DPF-78 plasma focus from x-ray spectra and REB emission

International Nuclear Information System (INIS)

Schmidt, H.; Wang, X.X.

1995-01-01

The X-ray emission from hot spots in the plasma focus DPF-78 was investigated with the help of two X-ray quartz crystal spectrometers of the Johann type and a 4 fold magnifying X-ray pinhole camera. In the experiments the working gas was chosen to be 300 Pa deuterium with 20 Pa argon admixture. X-ray spectra in the wavelength range from 3.55 angstrom to 4.0 angstrom, including H-like and He-like Argon lines, were recorded on Kodak DEF-2 film. From the spatially resolved spectra recorded side-on, a relative spectral shift between different hot spots of the same shot was often observed. The shift could be attributed to the Doppler shift. From spectral characteristics such as intensities and FWHM of Ar resonant and intercombination lines electron densities of up to 3 x 10 27 m -3 were determined. Radial dimensions of the hot spots ranging from about 140 microm to 300 microm were found from pinhole pictures applying the penumbra method. Usually two pulses of relativistic electron beams were observed using Cherenkov detectors in a magnetic spectrometer. The energy of the first pulse, which was emitted at the time of maximum compression, was higher than that of the second pulse. The measured FWHM of the REB pulses ranges from 3 ns to about 10 ns. The characteristics of the time-integrated X-ray spectra and the time resolved REB spectra and their dependence on the composition of the filling gas are discussed

X-ray spectroscopy of electronic structure of amorphous silicon and silicyne

CERN Document Server

Mashin, A I; Mashin, N I; Domashevskaya, E P; Terekhov, V A

2001-01-01

SiK subbeta and SiL sub 2 sub 3 emission spectra of crystalline silicon (c-Si), amorphous hydrogenated silicon (alpha-Si:H) and silicyne have been studied by X-ray and ultrasoft X-ray spectroscopy. It is observed that SiL sub 2 sub 3 emission spectra of silicyne displays not two maximums, as it usually observed for the c-Si and alpha-Si:H, but three ones. The third one is seen at high energies near 95.7 eV, and has an intensity about 75%. An additional maximum in the short- wave part of SiK subbeta emission spectrum is observed. This difference of shapes of X-ray spectra between alpha-Si:H and silicyne is explained by the presence in silicyne a strong pi-component of chemical bonds of a silicon atoms in silicyne

Indirect measure of X-rays spectra using TLDs

International Nuclear Information System (INIS)

Bonzi, E. V.; Mainardi, R. T.

2011-10-01

A methodology of indirect measure of X-rays spectra, emitted by conventional tubes, was developed recently and its feasibility verified in the first place by Monte Carlo simulations. For that case is intended to measure, by means of plastic scintillators, attenuation curves of dispersed beams previously. In this work were carried out measurements of attenuation curves with thermoluminescent dosimeters (TLD) to verify the kindness of the indirect measure method. The attenuation curve was also measured using an ionization chamber brand Capintec (model 192) with the purpose of making a comparison. The results of the attenuation curve measured with both dosimeters present a good resolution inside the statistical fluctuations and the spectral reconstruction using diverse parametric functions is carried out in a quick and simple way with excellent resolutions in the functional form. For this reconstruction method are of fundamental importance the following properties of the used dosimeter: in the first place the repetition of the measures, property that could check; in second place the precision of the measured data and lastly the dosimeter response, this is, the increase of the thermoluminescent signal before an increase of the photons flow of X-rays. This parameter is the gradient of the curve thermoluminescent signal versus the dose imparted to the dosimeter. The measures were realized with a generator of X-rays brand Kevex provided of a conventional tube with tungsten anti cathode that polarizes with high tension to a maximum value of 50 kV and current of 0.5 ma. (Author)

X-ray metrology for ULSI structures

International Nuclear Information System (INIS)

Bowen, D. K.; Matney, K. M.; Wormington, M.

1998-01-01

Non-destructive X-ray metrological methods are discussed for application to both process development and process control of ULSI structures. X-ray methods can (a) detect the unacceptable levels of internal defects generated by RTA processes in large wafers, (b) accurately measure the thickness and roughness of layers between 1 and 1000 nm thick and (c) can monitor parameters such as crystallographic texture and the roughness of buried interfaces. In this paper we review transmission X-ray topography, thin film texture measurement, grazing-incidence X-ray reflectivity and high-resolution X-ray diffraction. We discuss in particular their suitability as on-line sensors for process control

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

International Nuclear Information System (INIS)

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

1985-05-01

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

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

NARCIS (Netherlands)

GOEDKOOP, JB; THOLE, BT; VANDERLAAN, G; SAWATZKY, GA; DEGROOT, FMF; FUGGLE, JC; de Groot, Frank|info:eu-repo/dai/nl/08747610X

1988-01-01

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

X-ray electron spectra of chalcogenide glasses and polycrystalline alloys of Ge-Te and As-Te systems

International Nuclear Information System (INIS)

Panus, V.R.

1990-01-01

Comparative investigation into structures of crystals and glasses in Ge-Te and As-Te two-component systems was conducted. Analysis of x-ray electron spectra of Ge-Te and As-Te systems indicates, that processes of dissociation-association resulting in formation of new structure units occur in telluride melts at synthesis temperatures. Structural chemical composition of binary glass-like alloys of Ge-Te and As-Te systems differs essentially from the one that corresponds to fusibility equilibrium curve. Oxygen doping into tellurium-base glasses results mainly in occurence of structures forecasted due to thermochemical calculation

Extracting ion emission lines from femtosecond-laser plasma x-ray spectra heavily contaminated by spikes

International Nuclear Information System (INIS)

Gasilov, S. V.; Faenov, A. Ya.; Pikuz, T. A.; Villoresi, P.; Poletto, L.; Stagira, S.; Calegari, F.; Vozzi, C.; Nisoli, M.

2007-01-01

Nowadays charged-coupled device (CCD) detectors are widely used for the registration of multicharged ions x-ray spectra. These spectra are generated in a plasma during interaction of ultrashort, ultraintense laser pulses with solid targets. Strong parasitic radiation from the plasma affects CCD detectors and contaminates resulting spectra, so that spectral features can be completely covered by noise even during measurements with a very short accumulation time. In this work we propose a ''mean to median'' (M2M) algorithm for noise suppression in femtosecond laser plasma x-ray spectra. Series of spectra is necessary for the identification of corrupted data points by the developed method. The algorithm was tested with model spectra which reflect main features of experimental data. In practice we used it for extracting information about spectral lines of Ne-like Fe ions and He-like Al ions which allowed us to calculate plasma parameters. It is demonstrated that M2M method is able to clean spectra with more than 10% of corrupted pixels. Fluctuations in intensity of spectral lines induced by laser instability do not affect validity of the proposed method

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

Energy Technology Data Exchange (ETDEWEB)

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

2008-03-08

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

An analysis of the MO X-ray spectra in U92+-Pb collisions

International Nuclear Information System (INIS)

Schulze, K.; Anton, J.; Sepp, W.-D.; Fricke, B.

1999-01-01

The investigation of quasimolecular X-rays from superheavy collision systems with bare or H-like projectiles seems to be a promising approach to get information about the behaviour of inner shell electrons with energy eigenvalues in the vicinity of the negative continuum. We present calculations of the MO X-ray spectra for the system U 92+ -Pb for varying impact energies. Furthermore we analyse the contributions due to electrons in higher lying states. The results are discussed with respect to the experimental determination of the transition energies in the superheavy quasimolecule. (orig.)

Synchrotron x-ray fluorescence and extended x-ray absorption fine structure analysis

International Nuclear Information System (INIS)

Chen, J.R.; Gordon, B.M.; Hanson, A.L.; Jones, K.W.; Kraner, H.W.; Chao, E.C.T.; Minkin, J.A.

1984-01-01

The advent of dedicated synchrotron radiation sources has led to a significant increase in activity in many areas of science dealing with the interaction of x-rays with matter. Synchrotron radiation provides intense, linearly polarized, naturally collimated, continuously tunable photon beams, which are used to determine not only the elemental composition of a complex, polyatomic, dilute material but also the chemical form of the elements with improved accuracy. Examples of the application of synchrotron radiation include experiments in synchrotron x-ray fluorescence (SXRF) analysis and extended x-ray absorption fine structure (EXAFS) analysis. New synchrotron radiation x-ray microprobes for elemental analysis in the parts per billion range are under construction at several laboratories. 76 references, 24 figures

X-ray analysis and mapping by wavelength dispersive X-ray spectroscopy in an electron microscope

International Nuclear Information System (INIS)

Tanaka, Miyoko; Takeguchi, Masaki; Furuya, Kazuo

2008-01-01

A compact and easy-to-use wavelength dispersive X-ray spectrometer using a multi-capillary X-ray lens attached to a scanning (transmission) electron microscope has been tested for thin-film analysis. B-K spectra from thin-film boron compounds (B 4 C, h-BN, and B 2 O 3 ) samples showed prominent peak shifts and detailed structural differences. Mapping images of a thin W/Si double-layer sample resolved each element clearly. Additionally, a thin SiO 2 film grown on a Si substrate was imaged with O-K X-rays. Energy and spatial resolution of the system is also discussed

Multiscale structural study using scanning X-ray microscope

International Nuclear Information System (INIS)

Ohsumi, Hiroyuki; Arima, Taka-hisa

2016-01-01

Correspondence between structures at the atomic- and meso-scales can be given by scanning X-ray microscopy integrated with polarized X-ray diffractometry. Symmetry is the common structural feature available across multiple hierarchies. This article introduces a symmetry evaluation technique based on polarized X-ray diffractometry and describes two embodiments: chirality domain observation and antiferromagnetic domain observation. Multiscale structural studies would play an important role in uncovering universality of hierarchical structure. (author)

X-ray spectra from the Cornell Electron-Beam Ion Source (CEBIS I)

International Nuclear Information System (INIS)

Johnson, B.M.; Jones, K.W.; Kostroun, V.O.; Ghanbari, E.; Janson, S.W.

1985-01-01

Radiation emitted from the Cornell electron beam ion source (CEBIS I) has been surveyed with a Si(Li) x-ray detector. These spectra can be used to estimate backgrounds from electron bremsstrahlung and to evaluate the feasibility of atomic physics experiments using the CEBIS I source in this configuration. 1 ref., 2 figs

X-ray spectra of clusters of galaxies

Science.gov (United States)

Sarazin, Craig L.

1990-01-01

X-ray line observations of clusters of galaxies have shown that the X-ray emission in clusters is mainly thermal emission from hot diffuse gas, and that much of this gas has come out of stars, probably having been ejected from galaxies in the cluster. Future high resolution observations should allow us to determine the physical state of the gas. X-ray line measurements and abundance determinations can lead to strong constraints on the origin of the intracluster gas, and on the chemical evolution and history of galaxies. Some of the stronger resonant X-ray lines may be observable as absorption lines against a background quasar. Such X-ray absorption line measurement can be used to directly derive distances to clusters, using a technique similar to (and possibly complementary to) that the well-known method using the Zel'dovich-Syunyaev effect.

Optimization of tungsten x-ray spectra for digital mammography: a comparison of model to experiment

Science.gov (United States)

Andre, Michael P.; Spivey, Brett A.

1997-05-01

Tungsten (W) target x-rays tubes are being studied for use in digital mammography to improve x-ray flux, reduce noise and increase tube heat capacity. A parametric model was developed for digital mammography to evaluate optimization of x-ray spectra for a particular sensor. The model computes spectra and mean glandular doses (MGD) for combinations of W target, beam filters, kVp, breast type and thickness. Two figures of merit were defined: (signal/noise)2/MGD and spectral quantum efficiency; these were computed as a means to approach optimization of object contrast. The model is derived from a combination of classic equations, XCOM from NBS, and published data. X-ray spectra were calculated and measured for filters of Al, Sn, Rh, Mo and Ag on a Eureka tube. (Signal/noise)2/MGD was measured for a filtered W target tube and a digital camera employing CsI scintillator optically coupled to a CCD for which the detective quantum efficiency (DQE) was known. A 3-mm thick acrylic disk was imaged on thickness of 3-8 cm of acrylic and the results were compared to the predictions of the model. The relative error between predicted and measured spectra was +/- 2 percent from 24 to 34 kVp. Calculated MGD as a function of breast thickness, half-value layer and beam filter compares very well to published data. Best performance was found for the following combinations: Mo filter with 30 mm breast, Ag filter with 45 mm, Sn filter for 60 mm, and Al filter for 75 mm thick breast. The parametric model agrees well with measurement and provides a means to explore optimum combinations of kVp and beam filter. For a particular detector, this data may be used with the DQE to estimate total system signal-to-noise ratio for a particular imaging task.

A model of tungsten anode x-ray spectra

Energy Technology Data Exchange (ETDEWEB)

Hernández, G.; Fernández, F., E-mail: fdz@usal.es [Física Fundamental, Universidad de Salamanca, Salamanca 37008 (Spain)

2016-08-15

Purpose: A semiempirical model for x-ray production in tungsten thick-targets was evaluated using a new characterization of electron fluence. Methods: Electron fluence is modeled taking into account both the energy and angular distributions, each of them adjusted to Monte Carlo simulated data. Distances were scaled by the CSDA range to reduce the energy dependence. Bremsstrahlung production was found by integrating the cross section with the fluence in a 1D penetration model. Characteristic radiation was added using a semiempirical law whose validity was checked. The results were compared the experimental results of Bhat et al., with the SpekCalc numerical tool, and with MCNPX simulation results from the work of Hernandez and Boone. Results: The model described shows better agreement with the experimental results than the SpekCalc predictions in the sense of area between the spectra. A general improvement of the predictions of half-value layers is also found. The results are also in good agreement with the simulation results in the 50–640 keV energy range. Conclusions: A complete model for x-ray production in thick bremsstrahlung targets has been developed, improving the results of previous works and extending the energy range covered to the 50–640 keV interval.

X-Ray Spectra from MHD Simulations of Accreting Black Holes

Science.gov (United States)

Schnittman, Jeremy D.; Krolik, Julian H.; Noble, Scott C.

2012-01-01

We present the results of a new global radiation transport code coupled to a general relativistic magneto-hydrodynamic simulation of an accreting, nonrotating black hole. For the first time, we are able to explain from first principles in a self-consistent way the X-ray spectra observed from stellar-mass black holes, including a thermal peak, Compton reflection hump, power-law tail, and broad iron line. Varying only the mass accretion rate, we are able to reproduce the low/hard, steep power-law, and thermal-dominant states seen in most galactic black hole sources. The temperature in the corona is T(sub e) 10 keV in a boundary layer near the disk and rises smoothly to T(sub e) greater than or approximately 100 keV in low-density regions far above the disk. Even as the disk's reflection edge varies from the horizon out to approximately equal to 6M as the accretion rate decreases, we find that the shape of the Fe Ka line is remarkably constant. This is because photons emitted from the plunging region are strongly beamed into the horizon and never reach the observer. We have also carried out a basic timing analysis of the spectra and find that the fractional variability increases with photon energy and viewer inclination angle, consistent with the coronal hot spot model for X-ray fluctuations.

First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen

International Nuclear Information System (INIS)

Li, Zi; Zhang, Shen; Kang, Wei; Wang, Cong; Zhang, Ping

2016-01-01

X-ray absorption spectrum is a powerful tool for atomic structure detection on warm dense matter. Here, we perform first-principles molecular dynamics and X-ray absorption spectrum calculations on warm dense nitrogen along a Hugoniot curve. From the molecular dynamics trajectory, the detailed atomic structures are examined for each thermodynamical condition. The K-shell X-ray absorption spectrum is calculated, and its changes with temperature and pressure along the Hugoniot curve are discussed. The warm dense nitrogen systems may contain isolated nitrogen atoms, N 2 molecules, and nitrogen clusters, which show quite different contributions to the total X-ray spectrum due to their different electron density of states. The changes of X-ray spectrum along the Hugoniot curve are caused by the different nitrogen structures induced by the temperature and the pressure. Some clear signatures on X-ray spectrum for different thermodynamical conditions are pointed out, which may provide useful data for future X-ray experiments.

Indirect measurements of X-ray spectra

International Nuclear Information System (INIS)

Mainardi, R.T.

2006-01-01

To the effects of measuring the spectral distribution of the radiation emitted by the x-ray tubes and electron accelerators, numerous procedures that are grouped in two big categories exist at the present time: direct and indirect methods. The first ones use high resolution detectors that should be positioned, together with the appropriate collimator, in the direction of the x ray beam. The user should be an expert in the use and correction of the obtained data by the different effects that affect the detector operation such as efficiency and resolution in terms of the energy of the detected radiation. The indirect procedures, although its are more simple to use, its also require a considerable space along the beam to position the ionization chamber and the necessary absorbents to construct by this way the denominated attenuation curve. We will analyze the operation principle of the indirect methods and a new proposal in which such important novelties are introduced as the beam dispersion to avoid to measure along the main beam and that of determination of the attenuation curve in simultaneous form. By this way, with a single shot of the tube, the attenuation curve is measured, being necessary at most a shot of additional calibration to know the relative response of the detectors used in the experimental array. The physical processes involved in the obtaining of an attenuation curve are very well well-known and this it finishes it can be theoretically calculated if the analytic form of the spectrum is supposed well-known. Finally, we will see a spectra reconstruction example with the Kramers parametric form and comparisons with numeric simulations carried out with broadly validated programs as well as the possibility of the use of solid state dosemeters in the obtention of the attenuation curve. (Author)

X-ray stars observed in LAMOST spectral survey

Science.gov (United States)

Lu, Hong-peng; Zhang, Li-yun; Han, Xianming L.; Shi, Jianrong

2018-05-01

X-ray stars have been studied since the beginning of X-ray astronomy. Investigating and studying the chromospheric activity from X-ray stellar optical spectra is highly significant in providing insights into stellar magnetic activity. The big data of LAMOST survey provides an opportunity for researching stellar optical spectroscopic properties of X-ray stars. We inferred the physical properties of X-ray stellar sources from the analysis of LAMOST spectra. First, we cross-matched the X-ray stellar catalogue (12254 X-ray stars) from ARXA with LAMOST data release 3 (DR3), and obtained 984 good spectra from 713 X-ray sources. We then visually inspected and assigned spectral type to each spectrum and calculated the equivalent width (EW) of Hα line using the Hammer spectral typing facility. Based on the EW of Hα line, we found 203 spectra of 145 X-ray sources with Hα emission above the continuum. For these spectra we also measured the EWs of Hβ, Hγ, Hδ and Ca ii IRT lines of these spectra. After removing novae, planetary nebulae and OB-type stars, we found there are 127 X-ray late-type stars with Hα line emission. By using our spectra and results from the literature, we found 53 X-ray stars showing Hα variability; these objects are Classical T Tauri stars (CTTs), cataclysmic variables (CVs) or chromospheric activity stars. We also found 18 X-ray stars showing obvious emissions in the Ca ii IRT lines. Of the 18 X-ray stars, 16 are CTTs and 2 are CVs. Finally, we discussed the relationships between the EW of Hα line and X-ray flux.

Electronic structure and X-ray spectroscopic properties of YbNi_2P_2

International Nuclear Information System (INIS)

Shcherba, I.D.; Bekenov, L.V.; Antonov, V.N.; Noga, H.; Uskokovic, D.; Zhak, O.; Kovalska, M.V.

2016-01-01

Highlights: • We present new experimental and theoretical data for YbNi_2P_2. • The presence of divalent and trivalent Yb ion found in YbNi_2P_2. • The calculation show good agreement with the experimental measurements. - Abstract: X-ray absorption spectrum at the Yb L_3 edge and X-ray emission spectra of Ni and P at the K and L_2_,_3 edges have been studied experimentally and theoretically in the mixed valent compound YbNi_2P_2 with ThCr_2Si_2 type crystal structure. The electronic structure of YbNi_2P_2 is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi_2P_2 is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E_2 transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi_2P_2 are reflected in the experimentally measured Yb L_3 X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb"2"+ and Yb"3"+ spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.

Monte Carlo derivation of filtered tungsten anode X-ray spectra for dose computation in digital mammography*

Science.gov (United States)

Paixão, Lucas; Oliveira, Bruno Beraldo; Viloria, Carolina; de Oliveira, Marcio Alves; Teixeira, Maria Helena Araújo; Nogueira, Maria do Socorro

2015-01-01

Objective Derive filtered tungsten X-ray spectra used in digital mammography systems by means of Monte Carlo simulations. Materials and Methods Filtered spectra for rhodium filter were obtained for tube potentials between 26 and 32 kV. The half-value layer (HVL) of simulated filtered spectra were compared with those obtained experimentally with a solid state detector Unfors model 8202031-H Xi R/F & MAM Detector Platinum and 8201023-C Xi Base unit Platinum Plus w mAs in a Hologic Selenia Dimensions system using a direct radiography mode. Results Calculated HVL values showed good agreement as compared with those obtained experimentally. The greatest relative difference between the Monte Carlo calculated HVL values and experimental HVL values was 4%. Conclusion The results show that the filtered tungsten anode X-ray spectra and the EGSnrc Monte Carlo code can be used for mean glandular dose determination in mammography. PMID:26811553

Monte Carlo derivation of filtered tungsten anode X-ray spectra for dose computation in digital mammography

Directory of Open Access Journals (Sweden)

Lucas Paixão

2015-12-01

Full Text Available Abstract Objective: Derive filtered tungsten X-ray spectra used in digital mammography systems by means of Monte Carlo simulations. Materials and Methods: Filtered spectra for rhodium filter were obtained for tube potentials between 26 and 32 kV. The half-value layer (HVL of simulated filtered spectra were compared with those obtained experimentally with a solid state detector Unfors model 8202031-H Xi R/F & MAM Detector Platinum and 8201023-C Xi Base unit Platinum Plus w mAs in a Hologic Selenia Dimensions system using a direct radiography mode. Results: Calculated HVL values showed good agreement as compared with those obtained experimentally. The greatest relative difference between the Monte Carlo calculated HVL values and experimental HVL values was 4%. Conclusion: The results show that the filtered tungsten anode X-ray spectra and the EGSnrc Monte Carlo code can be used for mean glandular dose determination in mammography.

Steep Hard-X-ray Spectra Indicate Extremely High Accretion Rates in Weak Emission-Line Quasars

Science.gov (United States)

Marlar, Andrea; Shemmer, Ohad; Anderson, Scott F.; Brandt, W. Niel; Diamond-Stanic, Aleksandar M.; Fan, Xiaohui; Luo, Bin; Plotkin, Richard; Richards, Gordon T.; Schneider, Donald P.; Wu, Jianfeng

2018-06-01

We present XMM-Newton imaging spectroscopy of ten weak emission-line quasars (WLQs) at 0.928 ≤ z ≤ 3.767, six of which are radio quiet and four which are radio intermediate. The new X-ray data enabled us to measure the hard-X-ray power-law photon index (Γ) in each source with relatively high accuracy. These measurements allowed us to confirm previous reports that WLQs have steeper X-ray spectra, therefore indicating higher accretion rates with respect to "typical" quasars. A comparison between the Γ values of our radio-quiet WLQs and those of a carefully-selected, uniform sample of 84 quasars shows that the first are significantly higher, at the ≥ 3σ level. Collectively, the four radio-intermediate WLQs have lower Γ values with respect to the six radio-quiet WLQs, as may be expected if the spectra of the first group are contaminated by X-ray emission from a jet. These results suggest that, in the absence of significant jet emission along our line of sight, WLQs constitute the extreme high end of the accretion rate distribution in quasars. We detect soft excess emission in our lowest-redshift radio-quiet WLQ, in agreement with previous findings suggesting that the prominence of this feature is associated with a high accretion rate. We have not detected signatures of Compton reflection, Fe Kα lines, or strong variability between two X-ray epochs in any of our WLQs.

Broadband X-ray spectra of the ultraluminous X-ray source Holmberg IX X-1 observed with NuSTAR, XMM-Newton, and Suzaku

Energy Technology Data Exchange (ETDEWEB)

Walton, D. J.; Harrison, F. A.; Grefenstette, B. W.; Fuerst, F.; Madsen, K. K.; Rana, V.; Stern, D. [Space Radiation Laboratory, California Institute of Technology, Pasadena, CA 91125 (United States); Miller, J. M. [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109-1042 (United States); Bachetti, M.; Barret, D.; Webb, N. [Universite de Toulouse, UPS-OMP, IRAP, Toulouse (France); Boggs, S. E.; Craig, W. W. [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States); Christensen, F. E. [DTU Space, National Space Institute, Technical University of Denmark, Elektrovej 327, DK-2800 Lyngby (Denmark); Fabian, A. C.; Parker, M. L. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); Hailey, C. J. [Columbia Astrophysics Laboratory, Columbia University, New York, NY 10027 (United States); Ptak, A.; Zhang, W. W., E-mail: dwalton@srl.caltech.edu [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2014-09-20

We present results from the coordinated broadband X-ray observations of the extreme ultraluminous X-ray source Holmberg IX X-1 performed by NuSTAR, XMM-Newton, and Suzaku in late 2012. These observations provide the first high-quality spectra of Holmberg IX X-1 above 10 keV to date, extending the X-ray coverage of this remarkable source up to ∼30 keV. Broadband observations were undertaken at two epochs, between which Holmberg IX X-1 exhibited both flux and strong spectral variability, increasing in luminosity from L {sub X} = (1.90 ± 0.03) × 10{sup 40} erg s{sup –1} to L {sub X} = (3.35 ± 0.03) × 10{sup 40} erg s{sup –1}. Neither epoch exhibits a spectrum consistent with emission from the standard low/hard accretion state seen in Galactic black hole binaries, which would have been expected if Holmberg IX X-1 harbors a truly massive black hole accreting at substantially sub-Eddington accretion rates. The NuSTAR data confirm that the curvature observed previously in the 3-10 keV bandpass does represent a true spectral cutoff. During each epoch, the spectrum appears to be dominated by two optically thick thermal components, likely associated with an accretion disk. The spectrum also shows some evidence for a nonthermal tail at the highest energies, which may further support this scenario. The available data allow for either of the two thermal components to dominate the spectral evolution, although both scenarios require highly nonstandard behavior for thermal accretion disk emission.

Soft X-ray scanning transmission X-ray microscopy (STXM) of actinide particles.

Science.gov (United States)

Nilsson, Hans J; Tyliszczak, Tolek; Wilson, Richard E; Werme, Lars; Shuh, David K

2005-09-01

A descriptive account is given of our most recent research on the actinide dioxides with the Advanced Light Source Molecular Environmental Science (ALS-MES) Beamline 11.0.2 soft X-ray scanning transmission X-ray microscope (STXM) at the Lawrence Berkeley National Laboratory (LBNL). The ALS-MES STXM permits near-edge X-ray absorption fine structure (NEXAFS) and imaging with 30-nm spatial resolution. The first STXM spectromicroscopy NEXAFS spectra at the actinide 4d5/2 edges of the imaged transuranic particles, NpO2 and PuO2, have been obtained. Radiation damage induced by the STXM was observed in the investigation of a mixed oxidation state particle (Np(V,VI)) and was minimized during collection of the actual spectra at the 4d5/2 edge of the Np(V,VI) solid. A plutonium elemental map was obtained from an irregular PuO2 particle with the dimensions of 650 x 650 nm. The Pu 4d5/2 NEXAFS spectra were collected at several different locations from the PuO2 particle and were identical. A representative oxygen K-edge spectrum from UO2 was collected and resembles the oxygen K-edge from the bulk material. The unique and current performance of the ALS-MES STXM at extremely low energies (ca. 100 eV) that may permit the successful measurement of the actinide 5d edge is documented. Finally, the potential of STXM as a tool for actinide investigations is briefly discussed.

Estimation of identification limit for a small-type OSL dosimeter on the medical images by measurement of X-ray spectra.

Science.gov (United States)

Takegami, Kazuki; Hayashi, Hiroaki; Okino, Hiroki; Kimoto, Natsumi; Maehata, Itsumi; Kanazawa, Yuki; Okazaki, Tohru; Hashizume, Takuya; Kobayashi, Ikuo

2016-07-01

Our aim in this study is to derive an identification limit on a dosimeter for not disturbing a medical image when patients wear a small-type optically stimulated luminescence (OSL) dosimeter on their bodies during X-ray diagnostic imaging. For evaluation of the detection limit based on an analysis of X-ray spectra, we propose a new quantitative identification method. We performed experiments for which we used diagnostic X-ray equipment, a soft-tissue-equivalent phantom (1-20 cm), and a CdTe X-ray spectrometer assuming one pixel of the X-ray imaging detector. Then, with the following two experimental settings, corresponding X-ray spectra were measured with 40-120 kVp and 0.5-1000 mAs at a source-to-detector distance of 100 cm: (1) X-rays penetrating a soft-tissue-equivalent phantom with the OSL dosimeter attached directly on the phantom, and (2) X-rays penetrating only the soft-tissue-equivalent phantom. Next, the energy fluence and errors in the fluence were calculated from the spectra. When the energy fluence with errors concerning these two experimental conditions was estimated to be indistinctive, we defined the condition as the OSL dosimeter not being identified on the X-ray image. Based on our analysis, we determined the identification limit of the dosimeter. We then compared our results with those for the general irradiation conditions used in clinics. We found that the OSL dosimeter could not be identified under the irradiation conditions of abdominal and chest radiography, namely, one can apply the OSL dosimeter to measurement of the exposure dose in the irradiation field of X-rays without disturbing medical images.

Precise material identification method based on a photon counting technique with correction of the beam hardening effect in X-ray spectra

International Nuclear Information System (INIS)

Kimoto, Natsumi; Hayashi, Hiroaki; Asahara, Takashi; Mihara, Yoshiki; Kanazawa, Yuki; Yamakawa, Tsutomu; Yamamoto, Shuichiro; Yamasaki, Masashi; Okada, Masahiro

2017-01-01

The aim of our study is to develop a novel material identification method based on a photon counting technique, in which the incident and penetrating X-ray spectra are analyzed. Dividing a 40 kV X-ray spectra into two energy regions, the corresponding linear attenuation coefficients are derived. We can identify the materials precisely using the relationship between atomic number and linear attenuation coefficient through the correction of the beam hardening effect of the X-ray spectra. - Highlights: • We propose a precise material identification method to be used as a photon counting system. • Beam hardening correction is important, even when the analysis is applied to the short energy regions in the X-ray spectrum. • Experiments using a single probe-type CdTe detector were performed, and Monte Carlo simulation was also carried out. • We described the applicability of our method for clinical diagnostic X-ray imaging in the near future.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-04-04

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

Parallel of semi-empirical results simulated by MCNP of X-ray spectra with a semiconductor

International Nuclear Information System (INIS)

Santos, L.R.; Vivolo, V.; Potiens, M.P.A.; Navarro, M.V.T.; Santos, W.S.

2016-01-01

The aim of this study was to use the MCNPX radiation transport code to simulate X-ray spectra generated by a constant voltage system in a CdTe semiconductor detector. As part of the validation process, we obtained a series of experimental spectra. Comparatively, in all cases there is a good correlation between the two spectra. There were no statistically significant differences between the experimental results with the simulated. (author)

Observation of soft X-ray spectra from a Seyfert 1 and a narrow emission-line galaxy

International Nuclear Information System (INIS)

Singh, K.P.; Garmire, G.P.; Nousek, J.

1985-01-01

The 0.2-40 keV X-ray spectra of the Seyfert 1 galaxy Mrk 509 and the narrow emission-line galaxy NGC 2992 are analyzed. The results suggest the presence of a steep soft X-ray component in Mrk 509 in addition to the well-known Gamma = 1.7 component found in other active galactic nuclei in the 2-40 keV energy range. The soft X-ray component is interpreted as due to thermal emission from a hot gas, probably associated with the highly ionized gas observed to be outflowing from the galaxy. The X-ray spectrum of NGC 2992 does not show any steepening in the soft X-ray band and is consistent with a single power law (Gamma = 1.78) with very low absorbing column density of 4 x 10 to the 21st/sq cm. A model with partial covering of the nuclear X-ray source is preferred, however, to a simple model with a single power law and absorption. 34 references

X-ray photoelectron and x-ray-induced Auger electron spectroscopic data, 1

International Nuclear Information System (INIS)

Baba, Yuji; Sasaki, T.A.

1984-02-01

The intrinsic data of the X-ray photoelectron spectra (XPS) and X-ray-induced Auger electron spectra (XAES) for 3d transition-metals and related oxides were presented. The clean surfaces of the metals were obtained by two different methods ; mechanical filings and Ar + ion etchings. The oxides examined are typical compounds such as Sc 2 O 3 , TiO 2 , V 2 O 5 and NiO. The report consists of 4 wide scans, 26 core-line spectra, 10 valence-band spectra and 20 XAES spectra. The peak positions of the core-lines and the Auger lines were summarized in 8 tables together with their chemical shifts. (author)

Modification of the TASMIP x-ray spectral model for the simulation of microfocus x-ray sources

Energy Technology Data Exchange (ETDEWEB)

Sisniega, A.; Vaquero, J. J., E-mail: juanjose.vaquero@uc3m.es [Departamento de Bioingeniería e Ingeniería Aeroespacial, Universidad Carlos III de Madrid, Madrid ES28911 (Spain); Instituto de Investigación Sanitaria Gregorio Marañón, Madrid ES28007 (Spain); Desco, M. [Departamento de Bioingeniería e Ingeniería Aeroespacial, Universidad Carlos III de Madrid, Madrid ES28911 (Spain); Instituto de Investigación Sanitaria Gregorio Marañón, Madrid ES28007 (Spain); Centro de Investigación Biomédica en Red de Salud Mental (CIBERSAM), Madrid ES28029 (Spain)

2014-01-15

Purpose: The availability of accurate and simple models for the estimation of x-ray spectra is of great importance for system simulation, optimization, or inclusion of photon energy information into data processing. There is a variety of publicly available tools for estimation of x-ray spectra in radiology and mammography. However, most of these models cannot be used directly for modeling microfocus x-ray sources due to differences in inherent filtration, energy range and/or anode material. For this reason the authors propose in this work a new model for the simulation of microfocus spectra based on existing models for mammography and radiology, modified to compensate for the effects of inherent filtration and energy range. Methods: The authors used the radiology and mammography versions of an existing empirical model [tungsten anode spectral model interpolating polynomials (TASMIP)] as the basis of the microfocus model. First, the authors estimated the inherent filtration included in the radiology model by comparing the shape of the spectra with spectra from the mammography model. Afterwards, the authors built a unified spectra dataset by combining both models and, finally, they estimated the parameters of the new version of TASMIP for microfocus sources by calibrating against experimental exposure data from a microfocus x-ray source. The model was validated by comparing estimated and experimental exposure and attenuation data for different attenuating materials and x-ray beam peak energy values, using two different x-ray tubes. Results: Inherent filtration for the radiology spectra from TASMIP was found to be equivalent to 1.68 mm Al, as compared to spectra obtained from the mammography model. To match the experimentally measured exposure data the combined dataset required to apply a negative filtration of about 0.21 mm Al and an anode roughness of 0.003 mm W. The validation of the model against real acquired data showed errors in exposure and attenuation in

Modification of the TASMIP x-ray spectral model for the simulation of microfocus x-ray sources

International Nuclear Information System (INIS)

Sisniega, A.; Vaquero, J. J.; Desco, M.

2014-01-01

Purpose: The availability of accurate and simple models for the estimation of x-ray spectra is of great importance for system simulation, optimization, or inclusion of photon energy information into data processing. There is a variety of publicly available tools for estimation of x-ray spectra in radiology and mammography. However, most of these models cannot be used directly for modeling microfocus x-ray sources due to differences in inherent filtration, energy range and/or anode material. For this reason the authors propose in this work a new model for the simulation of microfocus spectra based on existing models for mammography and radiology, modified to compensate for the effects of inherent filtration and energy range. Methods: The authors used the radiology and mammography versions of an existing empirical model [tungsten anode spectral model interpolating polynomials (TASMIP)] as the basis of the microfocus model. First, the authors estimated the inherent filtration included in the radiology model by comparing the shape of the spectra with spectra from the mammography model. Afterwards, the authors built a unified spectra dataset by combining both models and, finally, they estimated the parameters of the new version of TASMIP for microfocus sources by calibrating against experimental exposure data from a microfocus x-ray source. The model was validated by comparing estimated and experimental exposure and attenuation data for different attenuating materials and x-ray beam peak energy values, using two different x-ray tubes. Results: Inherent filtration for the radiology spectra from TASMIP was found to be equivalent to 1.68 mm Al, as compared to spectra obtained from the mammography model. To match the experimentally measured exposure data the combined dataset required to apply a negative filtration of about 0.21 mm Al and an anode roughness of 0.003 mm W. The validation of the model against real acquired data showed errors in exposure and attenuation in

X-ray structure analysis of soil compositions

International Nuclear Information System (INIS)

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

1998-01-01

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

Accounting for nanometer-thick adventitious carbon contamination in X-ray absorption spectra of carbon-based materials.

Science.gov (United States)

Mangolini, Filippo; McClimon, J Brandon; Rose, Franck; Carpick, Robert W

2014-12-16

Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy is a powerful technique for characterizing the composition and bonding state of nanoscale materials and the top few nanometers of bulk and thin film specimens. When coupled with imaging methods like photoemission electron microscopy, it enables chemical imaging of materials with nanometer-scale lateral spatial resolution. However, analysis of NEXAFS spectra is often performed under the assumption of structural and compositional homogeneity within the nanometer-scale depth probed by this technique. This assumption can introduce large errors when analyzing the vast majority of solid surfaces due to the presence of complex surface and near-surface structures such as oxides and contamination layers. An analytical methodology is presented for removing the contribution of these nanoscale overlayers from NEXAFS spectra of two-layered systems to provide a corrected photoabsorption spectrum of the substrate. This method relies on the subtraction of the NEXAFS spectrum of the overlayer adsorbed on a reference surface from the spectrum of the two-layer system under investigation, where the thickness of the overlayer is independently determined by X-ray photoelectron spectroscopy (XPS). This approach is applied to NEXAFS data acquired for one of the most challenging cases: air-exposed hard carbon-based materials with adventitious carbon contamination from ambient exposure. The contribution of the adventitious carbon was removed from the as-acquired spectra of ultrananocrystalline diamond (UNCD) and hydrogenated amorphous carbon (a-C:H) to determine the intrinsic photoabsorption NEXAFS spectra of these materials. The method alters the calculated fraction of sp(2)-hybridized carbon from 5 to 20% and reveals that the adventitious contamination can be described as a layer containing carbon and oxygen ([O]/[C] = 0.11 ± 0.02) with a thickness of 0.6 ± 0.2 nm and a fraction of sp(2)-bonded carbon of 0.19 ± 0.03. This

Experimental setup for x-ray absorption spectroscopy at the DESY

International Nuclear Information System (INIS)

Rabe, P.; Tolkiehn, G.; Werner, A.

1979-10-01

In this paper we describe an apparatus used at the Deutsches Elektronen-Synchrotron (DESY) for the measurement of x-ray absorption spectra, specially designed for the investigation of the extended x-ray absorption fine structure (EXAFS). Performance of the setup is discussed and compared with an apparatus using the bremsstrahlung of a conventional x-ray source. (orig.)

Absorption spectra response of XRQA radiochromic film to x-ray radiation

International Nuclear Information System (INIS)

Alnawaf, Hani; Cheung, Tsang; Butson, Martin J.; Yu, Peter K.N.

2010-01-01

Gafchromic XRQA, radiochromic film is a high sensitivity auto developing x-ray analysis films designed and available for kilovoltage x-ray, dose and QA assessment applications. The film is designed for reflective analysis with a yellow transparent top filter and white opaque backing materials. This allows the film to be visually inspected for colour changes with a higher level of contrast than clear coated radiochromic films such as Gafchromic EBT version 1. The spectral absorption properties in the visible wavelengths have been investigated and results show two main peaks in absorption located at 636 nm and 585 nm. These peaks are located in the same position as EBT Gafchromic film highlighting a similar chemical monomer/polymer for radiation sensitivity. A much higher sensitivity however is found at kilovoltage energies with an average 1.55 OD units per 20 cGy irradiation variation measured at 636 nm using 150 kVp x-rays. This is compared to approximately 0.12 OD units per 20 cGy measured at 636 nm for EBT film at 6 MV x-ray energy. That is, the XRQA film is more than 10 times more sensitive than EBT1 film. The visual colour change is enhanced by the yellow polyester coating. However this does not affect the absorption spectra properties in the red region of analysis which is the main area for use using desktop scanners in reflection mode.

Electronic structure and x-ray spectroscopy of Cu2MnAl1-xGax

Science.gov (United States)

Rai, D. P.; Ekuma, C. E.; Boochani, A.; Solaymani, S.; Thapa, R. K.

2018-04-01

We explore the electronic and related properties of Cu2MnAl1-xGax with a first-principles, relativistic multiscattering Green function approach. We discuss our results in relation to existing experimental data and show that the electron-core hole interaction is essential for the description of the optical spectra especially in describing the X-ray absorption and magnetic circular dichroism spectra at the L2,3 edges of Cu and Mn.

A color display device recording X ray spectra, especially intended for medical radiography

International Nuclear Information System (INIS)

Boulch, J.-M.

1975-01-01

Said invention relates to a color display recording device for X ray spectra intended for medical radiography. The video signal of the X ray camera receiving the radiation having passed through the patient is amplified and transformed into a color coding according to the energy spectrum received by the camera. In a first version, the energy spectrum from the camera gives directly an image on the color tube. In a second version the energy spectrum, after having been transformed into digital signals, is first sent into a memory, then into a computer used as a spectrum analyzer, and finally into the color display device [fr

Core-hole effects in the x-ray-absorption spectra of transition-metal silicides

NARCIS (Netherlands)

WEIJS, PJW; CZYZYK, MT; VANACKER, JF; SPEIER, W; GOEDKOOP, JB; VANLEUKEN, H; HENDRIX, HJM; DEGROOT, RA; VANDERLAAN, G; BUSCHOW, KHJ; WIECH, G; FUGGLE, JC

1990-01-01

We report systematic differences between the shape of the Si K x-ray-absorption spectra of transition-metal silicides and broadened partial densities of Si p states. We use a variety of calculations to show that the origin of these discrepancies is the core-hole potential appropriate to the final

Laser plasma x-ray source for ultrafast time-resolved x-ray absorption spectroscopy

Directory of Open Access Journals (Sweden)

L. Miaja-Avila

2015-03-01

Full Text Available We describe a laser-driven x-ray plasma source designed for ultrafast x-ray absorption spectroscopy. The source is comprised of a 1 kHz, 20 W, femtosecond pulsed infrared laser and a water target. We present the x-ray spectra as a function of laser energy and pulse duration. Additionally, we investigate the plasma temperature and photon flux as we vary the laser energy. We obtain a 75 μm FWHM x-ray spot size, containing ∼106 photons/s, by focusing the produced x-rays with a polycapillary optic. Since the acquisition of x-ray absorption spectra requires the averaging of measurements from >107 laser pulses, we also present data on the source stability, including single pulse measurements of the x-ray yield and the x-ray spectral shape. In single pulse measurements, the x-ray flux has a measured standard deviation of 8%, where the laser pointing is the main cause of variability. Further, we show that the variability in x-ray spectral shape from single pulses is low, thus justifying the combining of x-rays obtained from different laser pulses into a single spectrum. Finally, we show a static x-ray absorption spectrum of a ferrioxalate solution as detected by a microcalorimeter array. Altogether, our results demonstrate that this water-jet based plasma source is a suitable candidate for laboratory-based time-resolved x-ray absorption spectroscopy experiments.

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

International Nuclear Information System (INIS)

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

1999-01-01

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

Measurement of characteristic to total spectrum ratio of tungsten X-ray spectra for the validation of the modified Tbc model

International Nuclear Information System (INIS)

Lopez G, A. H.; Costa, P. R.; Tomal, A.

2014-08-01

Primary X-ray spectra were measured in the range of 80 to 150 kV in order to validate a computer program based on a semiempirical model for X-ray spectra evaluation(tbc and mod). The ratio between the characteristic lines and total spectrum was considered for comparing the simulated results and experimental data. The raw spectra measured by the Cd Te detector were corrected by the detector efficiency, Compton effects and characteristic Cd and Te X-rays escape peaks, using a software specifically developed. The software Origin 8.5.1 was used to calculate the spectra and characteristic peaks areas. The obtained result shows that the experimental spectra have higher effective energy than the simulated spectra computed with tbc and mod software. The behavior of the ratio between the characteristic lines and total spectrum for simulated data presents discrepancy with the experimental result. Computed results are in good agreement with theoretical data published by Green, for spectra obtained with 3.04 mm of additional aluminum filtration. The difference of characteristic to total spectrum ratio between experimental and simulated data increases with the tube voltage. (Author)

Measurement of characteristic to total spectrum ratio of tungsten X-ray spectra for the validation of the modified Tbc model

Energy Technology Data Exchange (ETDEWEB)

Lopez G, A. H.; Costa, P. R. [University of Sao Paulo, Institute of Physics, Laboratory of Radiation Dosimetry and Medical Physics, Matao Street, alley R, 187, 66318 Sao Paulo (Brazil); Tomal, A., E-mail: ahlopezg@usp.br [Universidade Federal de Goias, Physics Institute, Campus Samambaia, 131 Goiania, Goias (Brazil)

2014-08-15

Primary X-ray spectra were measured in the range of 80 to 150 kV in order to validate a computer program based on a semiempirical model for X-ray spectra evaluation(tbc and mod). The ratio between the characteristic lines and total spectrum was considered for comparing the simulated results and experimental data. The raw spectra measured by the Cd Te detector were corrected by the detector efficiency, Compton effects and characteristic Cd and Te X-rays escape peaks, using a software specifically developed. The software Origin 8.5.1 was used to calculate the spectra and characteristic peaks areas. The obtained result shows that the experimental spectra have higher effective energy than the simulated spectra computed with tbc and mod software. The behavior of the ratio between the characteristic lines and total spectrum for simulated data presents discrepancy with the experimental result. Computed results are in good agreement with theoretical data published by Green, for spectra obtained with 3.04 mm of additional aluminum filtration. The difference of characteristic to total spectrum ratio between experimental and simulated data increases with the tube voltage. (Author)

Monte Carlo derivation of filtered tungsten anode X-ray spectra for dose computation in digital mammography

Energy Technology Data Exchange (ETDEWEB)

Paixao, L.; Oliveira, B. B.; Nogueira, M. do S. [Centro de Desenvolvimento da Tecnologia Nuclear, Post-graduation in Science and Technology of Radiations, Minerals and Materials, Pte. Antonio Carlos 6.627, Pampulha, 31270-901 Belo Horizonte (Brazil); Viloria, C. [UFMG, Departamento de Engenharia Nuclear, Post-graduation in Nuclear Sciences and Techniques, Pte. Antonio Carlos 6.627, Pampulha, 31270-901 Belo Horizonte (Brazil); Alves de O, M. [UFMG, Department of Anatomy and Imaging, Prof. Alfredo Balena 190, 30130-100 Belo Horizonte (Brazil); Araujo T, M. H., E-mail: lpr@cdtn.br [Dr Maria Helena Araujo Teixeira Clinic, Guajajaras 40, 30180-100 Belo Horizonte (Brazil)

2014-08-15

It is widely accepted that the mean glandular dose (D{sub G}) for the glandular tissue is the more useful magnitude for characterizing the breast cancer risk. The procedure to estimate the D{sub G}, for being difficult to measure it directly in the breast, it is to make the use of conversion factors that relate incident air kerma (K{sub i}) at this dose. Generally, the conversion factors vary with the x-ray spectrum half-value layer and the breast composition and thickness. Several authors through computer simulations have calculated such factors by the Monte Carlo (Mc) method. Many spectral models for D{sub G} computer simulations purposes are available in the diagnostic range. One of the models available generates unfiltered spectra. In this work, the Monte Carlo EGSnrc code package with the C++ class library (eg spp) was employed to derive filtered tungsten x-ray spectra used in digital mammography systems. Filtered spectra for rhodium and aluminium filters were obtained for tube potentials between 26 and 32 kV. The half-value layer of simulated filtered spectra were compared with those obtained experimentally with a solid state detector Unfors model 8202031-H Xi R/F and Mam Detector Platinum and 8201023-C Xi Base unit Platinum Plus w m As in a Hologic Selenia Dimensions system using a Direct Radiography mode. Calculated half-value layer values showed good agreement compared to those obtained experimentally. These results show that the filtered tungsten anode x-ray spectra and the EGSnrc Mc code can be used for D{sub G} determination in mammography. (Author)

Monte Carlo derivation of filtered tungsten anode X-ray spectra for dose computation in digital mammography

International Nuclear Information System (INIS)

Paixao, L.; Oliveira, B. B.; Nogueira, M. do S.; Viloria, C.; Alves de O, M.; Araujo T, M. H.

2014-08-01

It is widely accepted that the mean glandular dose (D G ) for the glandular tissue is the more useful magnitude for characterizing the breast cancer risk. The procedure to estimate the D G , for being difficult to measure it directly in the breast, it is to make the use of conversion factors that relate incident air kerma (K i ) at this dose. Generally, the conversion factors vary with the x-ray spectrum half-value layer and the breast composition and thickness. Several authors through computer simulations have calculated such factors by the Monte Carlo (Mc) method. Many spectral models for D G computer simulations purposes are available in the diagnostic range. One of the models available generates unfiltered spectra. In this work, the Monte Carlo EGSnrc code package with the C++ class library (eg spp) was employed to derive filtered tungsten x-ray spectra used in digital mammography systems. Filtered spectra for rhodium and aluminium filters were obtained for tube potentials between 26 and 32 kV. The half-value layer of simulated filtered spectra were compared with those obtained experimentally with a solid state detector Unfors model 8202031-H Xi R/F and Mam Detector Platinum and 8201023-C Xi Base unit Platinum Plus w m As in a Hologic Selenia Dimensions system using a Direct Radiography mode. Calculated half-value layer values showed good agreement compared to those obtained experimentally. These results show that the filtered tungsten anode x-ray spectra and the EGSnrc Mc code can be used for D G determination in mammography. (Author)

Resonant inelastic X-ray scattering spectra at the Ir L-edge in Na{sub 2}IrO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Igarashi, Jun-ichi, E-mail: junichi.igarashi.kiryu@vc.ibaraki.ac.jp [Faculty of Science, Ibaraki University, Mito, Ibaraki 310-8512 (Japan); Nagao, Tatsuya, E-mail: nagao@gunma-u.ac.jp [Faculty of Engineering, Gunma University, Kiryu, Gunma 376-8515 (Japan)

2016-10-15

Highlights: • A theoretical framework of resonant inelastic X-ray scattering (RIXS) on the basis of the itinerant electron scheme has been developed. • The RIXS theory is applied to iridate Na{sub 2}IrO{sub 3}. • The origins of the multi-peak structure of the excitation spectra found in the RIXS experiment have been assigned to the magnetic and excitonic excitations. - Abstract: We analyze resonant X-ray scattering (RIXS) spectra in Na{sub 2}IrO{sub 3} on the basis of the itinerant electron picture. Employing a multi-orbital tight-binding model on a honeycomb lattice, we find that the zigzag magnetic order is the most stable with sizable energy gap in the one-electron band within the Hartree–Fock approximation. We derive the RIXS spectra, which are connected to the generalized density–density correlation function. We calculate the spectra as a function of excitation energy ω, within the random phase approximation. The spectra consist of the peaks with ω < 20 meV, and of the peaks with 0.4 < ω < 0.8 eV. The former peaks are composed of four bound states in the density–density correlation function, and may be identified as the magnetic excitations, while the latter peaks are composed of 16 bound states below the energy continuum of individual electron–hole pair excitations, and may be identified as the excitonic excitations. The calculated spectra agree qualitatively with the recent RIXS experiment.

Study of soft X-ray energy spectra from gas-puff Z-pinch plasma

International Nuclear Information System (INIS)

Zou Xiaobing; Wang Xinxin; Zhang Guixin; Han Min; Luo Chengmu

2006-01-01

A ROSS-FILTER-PIN spectrometer in the spectral range of 0.28 keV-1.56 keV was developed to study the soft X-ray radiation emitted from gas-puff Z-pinch plasma. It is composed of five channels covering the energy interval of interest without gaps. Soft X-ray spectral energy cuts were determined by the L absorption edges of selected filter elements (K absorption edges being used for light filter elements), and the optimum thickness of filter material was designed using computer code. To minimize the residual sensitivity outside the sensitivity range of each channel, element of the first filter was added into the second filter of all the Ross pair. To diminish the area of each filter, PIN detector with small sensitive area of 1 mm 2 was adopted for the spectrometer. A filter with small area is easy to fabricate and would be helpful to withstand the Z-pinch discharge shock wave. With this ROSS-FILTER-PIN spectrometer, the energy spectra of soft X-ray from a small gas-puff Z-pinch were investigated, and the correlation between the soft X-ray yield and the plasma implosion state was also studied. (authors)

Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory

International Nuclear Information System (INIS)

Bolognesi, P.; O'Keeffe, P.; Ovcharenko, Y.; Coreno, M.; Avaldi, L.; Feyer, V.; Plekan, O.; Prince, K. C.; Zhang, W.; Carravetta, V.

2010-01-01

The inner shell excitation of pyrimidine and some halogenated pyrimidines near the C and N K-edges has been investigated experimentally by near edge x-ray absorption fine structure spectroscopy and theoretically by density functional theory calculations. The selected targets, 5-Br-pyrimidine, 2-Br-pyrimidine, 2-Cl-pyrimidine, and 5-Br-2-Cl-pyrimidine, allow the effects of the functionalization of the pyrimidine ring to be studied either as a function of different halogen atoms bound to the same molecular site or as a function of the same halogen atom bound to different molecular sites. The results show that the individual characteristics of the different spectra of the substituted pyrimidines can be rationalized in terms of variations in electronic and geometrical structures of the molecule depending on the localization and the electronegativity of the substituent.

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

International Nuclear Information System (INIS)

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

1991-01-01

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

Measurements of ionic structure in shock compressed lithium hydride from ultrafast x-ray Thomson scattering.

Science.gov (United States)

Kritcher, A L; Neumayer, P; Brown, C R D; Davis, P; Döppner, T; Falcone, R W; Gericke, D O; Gregori, G; Holst, B; Landen, O L; Lee, H J; Morse, E C; Pelka, A; Redmer, R; Roth, M; Vorberger, J; Wünsch, K; Glenzer, S H

2009-12-11

We present the first ultrafast temporally, spectrally, and angularly resolved x-ray scattering measurements from shock-compressed matter. The experimental spectra yield the absolute elastic and inelastic scattering intensities from the measured density of free electrons. Laser-compressed lithium-hydride samples are well characterized by inelastic Compton and plasmon scattering of a K-alpha x-ray probe providing independent measurements of temperature and density. The data show excellent agreement with the total intensity and structure when using the two-species form factor and accounting for the screening of ion-ion interactions.

High-Resolution X-Ray Spectra of the Symbiotic Star SS73 17

Science.gov (United States)

Eze, R. N. C.; Luna, G. J. M.; Smith, R. K.

2010-01-01

SS73 17 was an innocuous Mira-type symbiotic star until the International Gamma-Ray Astrophysics Laboratory and Swift discovered its bright hard X-ray emission, adding it to the small class of "hard X-ray emitting symbiotics." Suzaku observations in 2006 then showed it emits three bright iron lines as well, with little to no emission in the 0.3-2.0 keV bandpass. We present here follow-up observations with the Chandra High Energy Transmission Grating and Suzaku that confirm the earlier detection of strong emission lines of Fe K(alpha) fluorescence, Fe XXV and Fe XXVI but also show significantly more soft X-ray emission. The high-resolution spectrum also shows emission lines of other highly ionized ions as Si xiv and possibly S XVI. In addition, a re-analysis of the 2006 Suzaku data using the latest calibration shows that the hard (15-50 keV) X-ray emission is brighter than previously thought and remains constant in both the 2006 and 2008 data. The G ratio calculated from the Fe xxv lines shows that these lines are thermal, not photoionized, in origin.With the exception of the hard X-ray emission, the spectra from both epochs can be fit using thermal radiation assuming a differential emission measure based on a cooling-flow model combined with a full and partial absorber. We show that acceptable fits can be obtained for all the data in the 1-10 keV band varying only the partial absorber. Based on the temperature and accretion rate, the thermal emission appears to be arising from the boundary layer between the accreting white dwarf and the accretion disk.

HIGH-RESOLUTION X-RAY SPECTRA OF THE SYMBIOTIC STAR SS73 17

International Nuclear Information System (INIS)

Eze, R. N. C.; Luna, G. J. M.; Smith, R. K.

2010-01-01

SS73 17 was an innocuous Mira-type symbiotic star until the International Gamma-Ray Astrophysics Laboratory and Swift discovered its bright hard X-ray emission, adding it to the small class of 'hard X-ray emitting symbiotics'. Suzaku observations in 2006 then showed it emits three bright iron lines as well, with little to no emission in the 0.3-2.0 keV bandpass. We present here follow-up observations with the Chandra High Energy Transmission Grating and Suzaku that confirm the earlier detection of strong emission lines of Fe Kα fluorescence, Fe XXV and Fe XXVI but also show significantly more soft X-ray emission. The high-resolution spectrum also shows emission lines of other highly ionized ions as Si XIV and possibly S XVI. In addition, a re-analysis of the 2006 Suzaku data using the latest calibration shows that the hard (15-50 keV) X-ray emission is brighter than previously thought and remains constant in both the 2006 and 2008 data. The G ratio calculated from the Fe XXV lines shows that these lines are thermal, not photoionized, in origin. With the exception of the hard X-ray emission, the spectra from both epochs can be fit using thermal radiation assuming a differential emission measure based on a cooling-flow model combined with a full and partial absorber. We show that acceptable fits can be obtained for all the data in the 1-10 keV band varying only the partial absorber. Based on the temperature and accretion rate, the thermal emission appears to be arising from the boundary layer between the accreting white dwarf and the accretion disk.

Spectra transmitted by mortar barite in X-Ray qualities applied in diagnostic radiology as shielding

Energy Technology Data Exchange (ETDEWEB)

Almeida Junior, Airton T., E-mail: airton.almeida@fundacentro.gov.br [Fundacaoo Jorge Duprat Figueiredo de Seguranca e Medicina do Trabalho (FUNDACENTRO), Belo Horizonte, MG (Brazil); Araujo, F.G.S. [Universidade Federal de Ouro Preto (REDEMAT/UFOP), MG (Brazil); Nogueira, M.S., E-mail: mnogue@cdtn.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil); Santos, M.A.P. [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil)

2015-07-01

Concrete which contains water, cement and aggregate, is widely used in building construction such as medical hospitals. The CdZnTe spectrometry system was used to acquire the transmitted spectra in the RQR qualities and the stripping procedure was performed by taking into account both the contributions of efficiency and x-ray escape fraction, experimentally determined. The samples were prepared in rectangular plate format with dimensions of (5 x 5) cm with thicknesses varying from 0.2cm to 2cm and exposed to x-ray beams generated. The HVL and the mean energy in this energy range was determined. (author)

X-ray absorption fine structure spectroscopic determination of plutonium speciation at the Rocky Flats Environmental Technology Site

International Nuclear Information System (INIS)

Lezama-pacheco, Juan S.; Conradson, Steven D.; Clark, David L.

2008-01-01

X-ray Absorption Fine Structure spectroscopy was used to probe the speciation of the ppm level Pu in thirteen soil and concrete samples from the Rocky Flats Environmental Technology Site in support of the site remediation effort that has been successfully completed since these measurements. In addition to X-ray Absorption Near Edge Spectra, two of the samples yielded Extended X-ray Absorption Fine Structure spectra that could be analyzed by curve-fits. Most of these spectra exhibited features consistent with PU(IV), and more specificaJly, PuO 2+x -type speciation. Two were ambiguous, possibly indicating that Pu that was originally present in a different form was transforming into PuO 2+x , and one was interpreted as demonstrating the presence of an unusual Pu(VI) compound, consistent with its source being spills from a PUREX purification line onto a concrete floor and the resultant extreme conditions. These experimental results therefore validated models that predicted that insoluble PuO 2+x would be the most stable form of Pu in equilibrium with air and water even when the source terms were most likely Pu metal with organic compounds or a Pu fire. A corollary of these models' predictions and other in situ observations is therefore that the minimal transport of Pu that occurred on the site was via the resuspension and mobilization of colloidal particles. Under these conditions, the small amounts of diffusely distributed Pu that were left on the site after its remediation pose only a negligible hazard.

X-ray measurements on wood - spectra measurements

DEFF Research Database (Denmark)

Jensen, Signe Kamp; Thygesen, Lisbeth Garbrecht; Gerward, Leif

The report concerns simultaneous non-destructive measurements of water content and density of wood. Theoretically, this should be possible using a x-ray equipment newly build at BKM, and this work is an attempt to use the equipment for assessing water content and density of wood samples under...... laboratory conditions. A number of wood samples with different densities are placed at different relative humidities from 0.5 to 97 %RH. When equilibrium is obtained the samples are measured with the x-ray equipment such that 10 points are measured in the sample followed by measurements outside the sample...... (free-scanning). In this way 100 points are measured for each wood sample. This produces information about moisture content and density of the samples as water and wood attenuations of the x-rays are different for the different energy levels contained in the x-rays. The "real" density and moisture...

Electronic structure of ZrX2 (X = Se, Te)

Science.gov (United States)

Shkvarin, A. S.; Merentsov, A. I.; Shkvarina, E. G.; Yarmoshenko, Yu. M.; Píš, I.; Nappini, S.; Titov, A. N.

2018-03-01

The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.

SpekCalc: a program to calculate photon spectra from tungsten anode x-ray tubes

International Nuclear Information System (INIS)

Poludniowski, G; Evans, P M; Landry, G; DeBlois, F; Verhaegen, F

2009-01-01

A software program, SpekCalc, is presented for the calculation of x-ray spectra from tungsten anode x-ray tubes. SpekCalc was designed primarily for use in a medical physics context, for both research and education purposes, but may also be of interest to those working with x-ray tubes in industry. Noteworthy is the particularly wide range of tube potentials (40-300 kVp) and anode angles (recommended: 6-30 deg.) that can be modelled: the program is therefore potentially of use to those working in superficial/orthovoltage radiotherapy, as well as diagnostic radiology. The utility is free to download and is based on a deterministic model of x-ray spectrum generation (Poludniowski 2007 Med. Phys. 34 2175). Filtration can be applied for seven materials (air, water, Be, Al, Cu, Sn and W). In this note SpekCalc is described and illustrative examples are shown. Predictions are compared to those of a state-of-the-art Monte Carlo code (BEAMnrc) and, where possible, to an alternative, widely-used, spectrum calculation program (IPEM78). (note)

New Observations of Soft X-ray (0.5-5 keV) Solar Spectra

Science.gov (United States)

Caspi, A.; Woods, T. N.; Mason, J. P.; Jones, A. R.; Warren, H. P.

2013-12-01

The solar corona is the brightest source of X-rays in the solar system, and the X-ray emission is highly variable on many time scales. However, the actual solar soft X-ray (SXR) (0.5-5 keV) spectrum is not well known, particularly during solar quiet periods, as, with few exceptions, this energy range has not been systematically studied in many years. Previous observations include high-resolution but very narrow-band spectra from crystal spectrometers (e.g., Yohkoh/BCS), or integrated broadband irradiances from photometers (e.g., GOES/XRS, TIMED/XPS, etc.) that lack detailed spectral information. In recent years, broadband measurements with moderate energy resolution (~0.5-0.7 keV FWHM) were made by SphinX on CORONAS-Photon and SAX on MESSENGER, although they did not extend to energies below ~1 keV. We present observations of solar SXR emission obtained using new instrumentation flown on recent SDO/EVE calibration rocket underflights. The photon-counting spectrometer, a commercial Amptek X123 with a silicon drift detector and an 8 μm Be window, measures the solar disk-integrated SXR emission from ~0.5 to >10 keV with ~0.15 keV FWHM resolution and 1 s cadence. A novel imager, a pinhole X-ray camera using a cooled frame-transfer CCD (15 μm pixel pitch), Ti/Al/C filter, and 5000 line/mm Au transmission grating, images the full Sun in multiple spectral orders from ~0.1 to ~5 nm with ~10 arcsec/pixel and ~0.01 nm/pixel spatial and spectral detector scales, respectively, and 10 s cadence. These instruments are prototypes for future CubeSat missions currently being developed. We present new results of solar observations on 04 October 2013 (NASA sounding rocket 36.290). We compare with previous results from 23 June 2012 (NASA sounding rocket 36.286), during which solar activity was low and no signal was observed above ~4 keV. We compare our spectral and imaging measurements with spectra and broadband irradiances from other instruments, including SDO/EVE, GOES/XRS, TIMED

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-05-01

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

X-ray, MP2 and DFT studies of the structure and vibrational spectra of trigonellinium chloride

International Nuclear Information System (INIS)

Szafran, M.; Koput, J.; Dega-Szafran, Z.; Katrusiak, A.; Pankowski, M.; Stobiecka, K.

2003-01-01

The effects of hydrogen bonding, inter- and intramolecular electrostatic interactions on the conformation of trigonellinium chloride, TRGH...Cl, in the crystal and on that of a single molecule have been studied by X-ray diffraction, FT-IR, Raman, 1 H and 13 C NMR spectroscopies, and by MP2 and DFT calculations. In the crystal, the Cl - anion is connected with protonated trigonelline via hydrogen bond, O-H...Cl - =2.915(3) Angst, and three N + ...Cl - intermolecular electrostatic interactions. In a single molecule, the Cl - anion is also engaged in a slightly longer hydrogen bond, O-H...Cl - =2.948-3.019 Angst, but only in one type of intramolecular electrostatic interaction. The optimized bond lengths and bond angles at the MP2 and B3LYP levels of theory are in good agreement with the X-ray data, except conformation of the COOH group, which is cis (syn) in the crystal and trans (anti) in the single molecule. The probable assignments for the experimental solid state vibrational spectra of TRGH.Cl and TRGD.Cl based on the calculated MP2/cc-pVDZ frequencies and intensities were made. The effect of quaternization of nicotinic acid, its salt and amide on chemical shifts of the ring protons and carbons is analyzed

High-resolution Al L2,3-edge x-ray absorption near edge structure spectra of Al-containing crystals and glasses: coordination number and bonding information from edge components

International Nuclear Information System (INIS)

Weigel, C; Calas, G; Cormier, L; Galoisy, L; Henderson, G S

2008-01-01

High-resolution Al L 2,3 -edge x-ray absorption near edge structure (XANES) spectra have been measured in selected materials containing aluminium in 4-, 5- and 6-coordination. A shift of 1.5 eV is observed between the onset of [4] Al and [6] Al L 2,3 -edge XANES, in agreement with the magnitude of the shift observed at the Al K-edge. The differences in the position and shape of low-energy components of Al L 2,3 -edge XANES spectra provide a unique fingerprint of the geometry of the Al site and of the nature of Al-O chemical bond. The high resolution allows the calculation of electronic parameters such as the spin-orbit coupling and exchange energy using intermediate coupling theory. The electron-hole exchange energy decreases in tetrahedral as compared to octahedral symmetry, in relation with the increased screening of the core hole in the former. Al L 2,3 -edge XANES spectra confirm a major structural difference between glassy and crystalline NaAlSi 2 O 6 , with Al in 4- and 6-coordination, respectively, Al coordination remaining unchanged in NaAl 1-x Fe x Si 2 O 6 glasses, as Fe is substituted for Al

Simultaneous acquisition of X-ray spectra using a multi-wire, position-sensitive gas flow detector

International Nuclear Information System (INIS)

Beaven, Peter A.; Marmotti, Mauro; Kampmann, Reinhard; Knoth, Joachim; Schwenke, Heinrich

2003-01-01

A multi-wire, gas-filled position-sensitive detector has been developed for the simultaneous recording of wavelength-dispersed X-ray signals that enables X-ray fluorescence spectrometry with a limited multi-element capability in the low Z element range. Details of the modular construction of the detector are given. The detector performance was characterized using Al-Kα radiation and a variable slit system. The detector has been applied in a laboratory spectrometer equipped with an electron source and a double multilayer mirror device as the wavelength-dispersing element. Spectra from Al and Si obtained in the simultaneous acquisition mode show good agreement with calculations performed using a ray-tracing model

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-06-15

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

Pulsator-like Spectra from Ultraluminous X-Ray Sources and the Search for More Ultraluminous Pulsars

International Nuclear Information System (INIS)

Pintore, F.; Mereghetti, S.; Zampieri, L.; Stella, L.; Israel, G. L.; Wolter, A.

2017-01-01

Ultraluminous X-ray sources (ULXs) are a population of extragalactic objects whose luminosity exceeds the Eddington limit for a 10 M ⊙ black hole (BH). Their properties have been widely interpreted in terms of accreting stellar-mass or intermediate-mass BHs. However at least three neutron stars (NSs) have been recently identified in ULXs through the discovery of periodic pulsations. Motivated by these findings we studied the spectral properties of a sample of bright ULXs using a simple continuum model which was extensively used to fit the X-ray spectra of accreting magnetic NSs in the Galaxy. We found that such a model, consisting of a power-law with a high-energy exponential cut-off, fits most of the ULX spectra analyzed here very well, at a level comparable to that of models involving an accreting BH. On these grounds alone we suggest that other non-pulsating ULXs may host NSs. We also found that above 2 keV the spectrum of known pulsating ULXs is harder than that of the majority of the other ULXs of the sample, with only IC 342 X-1 and Ho IX X-1 displaying spectra of comparable hardness. We thus suggest that these two ULXs may host an accreting NS and encourage searches for periodic pulsations in the flux.

Pulsator-like Spectra from Ultraluminous X-Ray Sources and the Search for More Ultraluminous Pulsars

Energy Technology Data Exchange (ETDEWEB)

Pintore, F.; Mereghetti, S. [INAF-IASF Milano, via E. Bassini 15, I-20133 Milano (Italy); Zampieri, L. [INAF-Osservatorio Astronomico di Padova, Vicolo dell’Osservatorio 5, I-35122 Padova (Italy); Stella, L.; Israel, G. L. [INAF—Osservatorio astronomico di Roma, Via Frascati 44, I-00078, Monteporzio Catone (Italy); Wolter, A. [INAF, Osservatorio Astronomico di Brera, via Brera 28, I-20121 Milano (Italy)

2017-02-10

Ultraluminous X-ray sources (ULXs) are a population of extragalactic objects whose luminosity exceeds the Eddington limit for a 10 M {sub ⊙} black hole (BH). Their properties have been widely interpreted in terms of accreting stellar-mass or intermediate-mass BHs. However at least three neutron stars (NSs) have been recently identified in ULXs through the discovery of periodic pulsations. Motivated by these findings we studied the spectral properties of a sample of bright ULXs using a simple continuum model which was extensively used to fit the X-ray spectra of accreting magnetic NSs in the Galaxy. We found that such a model, consisting of a power-law with a high-energy exponential cut-off, fits most of the ULX spectra analyzed here very well, at a level comparable to that of models involving an accreting BH. On these grounds alone we suggest that other non-pulsating ULXs may host NSs. We also found that above 2 keV the spectrum of known pulsating ULXs is harder than that of the majority of the other ULXs of the sample, with only IC 342 X-1 and Ho IX X-1 displaying spectra of comparable hardness. We thus suggest that these two ULXs may host an accreting NS and encourage searches for periodic pulsations in the flux.

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

International Nuclear Information System (INIS)

Festa, Floriane

2013-01-01

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

CHARGE-TRANSFER SATELLITES AND MULTIPLET SPLITTING IN X-RAY PHOTOEMISSION SPECTRA OF LATE TRANSITION-METAL HALIDES

NARCIS (Netherlands)

OKADA, K; KOTANI, A; THOLE, BT

1992-01-01

Core-level X-ray photoemission spectra (XPS) are calculated for Ni and Co dihalides with an MX6 cluster model (M = Ni, Co; X = F, Cl, Br), where intra-atomic multiplet coupling as well as covalency mixing is taken into account. The effects of the intra-atomic configuration interaction between

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

International Nuclear Information System (INIS)

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

2012-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-05-15

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

Dynamical correlation effects in a weakly correlated material: Inelastic x-ray scattering and photoemission spectra of beryllium

Science.gov (United States)

Seidu, Azimatu; Marini, Andrea; Gatti, Matteo

2018-03-01

Beryllium is a weakly correlated simple metal. Still we find that dynamical correlation effects, beyond the independent-particle picture, are necessary to successfully interpret the electronic spectra measured by inelastic x-ray scattering (IXS) and photoemission spectroscopies (PES). By combining ab initio time-dependent density-functional theory (TDDFT) and many-body Green's function theory in the G W approximation (G W A ), we calculate the dynamic structure factor, the quasiparticle (QP) properties and PES spectra of bulk Be. We show that band-structure effects (i.e., due to interaction with the crystal potential) and QP lifetimes (LT) are both needed in order to explain the origin of the measured double-peak features in the IXS spectra. A quantitative agreement with experiment is obtained only when LT are supplemented to the adiabatic local-density approximation (ALDA) of TDDFT. Besides the valence band, PES spectra display a satellite, a signature of dynamical correlation due to the coupling of QPs and plasmons, which we are able to reproduce thanks to the combination of the G W A for the self-energy with the cumulant expansion of the Green's function.

Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules

DEFF Research Database (Denmark)

Coriani, Sonia; Christiansen, Ove; Fransson, Thomas

2012-01-01

triple corrected excitation energies CCSDR(3). This work is a first step toward the extension of these theoretical electronic structure methods of well-established high accuracy in UV-vis absorption spectroscopies to applications concerned with x-ray radiation. From the imaginary part of the linear...... response function, the near K-edge x-ray absorption spectra of neon, water, and carbon monoxide are determined and compared with experiment. Results at the CCSD level show relative peak intensities in good agreement with experiment with discrepancies in transition energies due to incomplete treatment...

Nano structured materials studied by coherent X-ray diffraction

International Nuclear Information System (INIS)

Gulden, Johannes

2013-03-01

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

Nano structured materials studied by coherent X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Gulden, Johannes

2013-03-15

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

Kα X-ray satellite spectra of Ti, V, Cr and Mn induced by photons

Indian Academy of Sciences (India)

K X-ray emission spectra of Ti, V, Cr and Mn generated by photon excitation have been studied with a crystal spectrometer. The measured energy shifts of K satellite relative to the diagram line are compared with values obtained by electron excitation and with different theoretical estimates. The present experimental ...

Theoretical approaches to x-ray absorption fine structure

International Nuclear Information System (INIS)

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

2000-01-01

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

A study of radiative Auger emission, satellites and hypersatellites in photon-induced K x-ray spectra of some elements in the range 20≤Z≤32

International Nuclear Information System (INIS)

Verma, H.R.

2000-01-01

Photon-induced K x-ray spectra of Ca, Ti, Fe, Zn and Ge have been investigated. The measurements have been made using a crystal spectrometer combined with a thin scintillation detector. Excited by the collimated photon beam from an Rh-anode x-ray tube, the spectra of all these elements reveal the existence of radiative Auger emission (RAE) structure and the satellite and hypersatellite lines along with the diagram lines. The energies and intensities of the Kα 2 , Kα 1 , Kβ 1,3 and Kβ 5 diagram lines and the Kα satellites and hypersatellite transitions are presented. The intensity of the RAE structure corresponding to the Kβ 1,3 x-ray transition and the energy of the RAE edge for each element is also reported. The measured results have been compared with the values from other sources such as electron/heavy-ion excitation and theoretical values. From the intensities of the satellite lines of these elements, the average L-vacancy fraction P L has been deduced in each case. (author)

Improving x-ray fluorescence signal for benchtop polychromatic cone-beam x-ray fluorescence computed tomography by incident x-ray spectrum optimization: a Monte Carlo study.

Science.gov (United States)

Manohar, Nivedh; Jones, Bernard L; Cho, Sang Hyun

2014-10-01

To develop an accurate and comprehensive Monte Carlo (MC) model of an experimental benchtop polychromatic cone-beam x-ray fluorescence computed tomography (XFCT) setup and apply this MC model to optimize incident x-ray spectrum for improving production/detection of x-ray fluorescence photons from gold nanoparticles (GNPs). A detailed MC model, based on an experimental XFCT system, was created using the Monte Carlo N-Particle (MCNP) transport code. The model was validated by comparing MC results including x-ray fluorescence (XRF) and scatter photon spectra with measured data obtained under identical conditions using 105 kVp cone-beam x-rays filtered by either 1 mm of lead (Pb) or 0.9 mm of tin (Sn). After validation, the model was used to investigate the effects of additional filtration of the incident beam with Pb and Sn. Supplementary incident x-ray spectra, representing heavier filtration (Pb: 2 and 3 mm; Sn: 1, 2, and 3 mm) were computationally generated and used with the model to obtain XRF/scatter spectra. Quasimonochromatic incident x-ray spectra (81, 85, 90, 95, and 100 keV with 10 keV full width at half maximum) were also investigated to determine the ideal energy for distinguishing gold XRF signal from the scatter background. Fluorescence signal-to-dose ratio (FSDR) and fluorescence-normalized scan time (FNST) were used as metrics to assess results. Calculated XRF/scatter spectra for 1-mm Pb and 0.9-mm Sn filters matched (r ≥ 0.996) experimental measurements. Calculated spectra representing additional filtration for both filter materials showed that the spectral hardening improved the FSDR at the expense of requiring a much longer FNST. In general, using Sn instead of Pb, at a given filter thickness, allowed an increase of up to 20% in FSDR, more prominent gold XRF peaks, and up to an order of magnitude decrease in FNST. Simulations using quasimonochromatic spectra suggested that increasing source x-ray energy, in the investigated range of 81-100 ke

X-ray photoelectron spectroscopy of the uranium/oxygen system

International Nuclear Information System (INIS)

Allen, G.C.; Holmes, N.R.

1986-10-01

Other authors have presented evidence to show that the oxidised surface layer which forms on UO 2 at 25 0 C is amorphous UO 3 . In the present study X-ray photoelectron spectroscopy, infra-red spectroscopy and X-ray diffraction have been used to characterise the higher oxides α-UO 3 , β-UO 3 , γ-UO 3 and δ-UO 3 . While the infra-red and X-ray diffraction results may be used to characterise each oxide the X-ray photoelectron spectra for each phase are very similar. During reduction of the oxide surface in the spectrometer changes in the spectra were observed which were shown to be associated with particular oxidation states of the metal rather than different uranium atom coordination sites within the oxide. A close structural relationship is demonstrated between these oxides and the product at the surface of air-oxidised UO 2 fuel. (author)

Multifractal Analysis of Seismically Induced Soft-Sediment Deformation Structures Imaged by X-Ray Computed Tomography

Science.gov (United States)

Nakashima, Yoshito; Komatsubara, Junko

Unconsolidated soft sediments deform and mix complexly by seismically induced fluidization. Such geological soft-sediment deformation structures (SSDSs) recorded in boring cores were imaged by X-ray computed tomography (CT), which enables visualization of the inhomogeneous spatial distribution of iron-bearing mineral grains as strong X-ray absorbers in the deformed strata. Multifractal analysis was applied to the two-dimensional (2D) CT images with various degrees of deformation and mixing. The results show that the distribution of the iron-bearing mineral grains is multifractal for less deformed/mixed strata and almost monofractal for fully mixed (i.e. almost homogenized) strata. Computer simulations of deformation of real and synthetic digital images were performed using the egg-beater flow model. The simulations successfully reproduced the transformation from the multifractal spectra into almost monofractal spectra (i.e. almost convergence on a single point) with an increase in deformation/mixing intensity. The present study demonstrates that multifractal analysis coupled with X-ray CT and the mixing flow model is useful to quantify the complexity of seismically induced SSDSs, standing as a novel method for the evaluation of cores for seismic risk assessment.

Molecular characterization of copper in soils using X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Strawn, Daniel G.; Baker, Leslie L.

2009-01-01

Bioavailability of Cu in the soil is a function of its speciation. In this paper we investigated Cu speciation in six soils using X-ray absorption near edge structure (XANES), extended X-ray absorption fine structure (EXAFS), and synchrotron-based micro X-ray fluorescence (μ-XRF). The XANES and EXAFS spectra in all of the soils were the same. μ-XRF results indicated that the majority of the Cu particles in the soils were not associated with calcium carbonates, Fe oxides, or Cu sulfates. Principal component analysis and target transform of the XANES and EXAFS spectra suggested that Cu adsorbed on humic acid (HA) was an acceptable match. Thus it appears that Cu in all of the soils is primarily associated with soil organic matter (SOM). Theoretical fitting of the molecular structure in the soil EXAFS spectra revealed that the Cu in the soils existed as Cu atoms bound in a bidentate complex to O or N functional groups. - Copper speciation in six soils was investigated using XANES, EXAFS, and μ-XRF.

Multiple scattering approach to X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Benfatto, M.; Wu Ziyu

2003-01-01

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

Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory.

Science.gov (United States)

Nascimento, Daniel R; DePrince, A Eugene

2017-07-06

An explicitly time-dependent (TD) approach to equation-of-motion (EOM) coupled-cluster theory with single and double excitations (CCSD) is implemented for simulating near-edge X-ray absorption fine structure in molecular systems. The TD-EOM-CCSD absorption line shape function is given by the Fourier transform of the CCSD dipole autocorrelation function. We represent this transform by its Padé approximant, which provides converged spectra in much shorter simulation times than are required by the Fourier form. The result is a powerful framework for the blackbox simulation of broadband absorption spectra. K-edge X-ray absorption spectra for carbon, nitrogen, and oxygen in several small molecules are obtained from the real part of the absorption line shape function and are compared with experiment. The computed and experimentally obtained spectra are in good agreement; the mean unsigned error in the predicted peak positions is only 1.2 eV. We also explore the spectral signatures of protonation in these molecules.

Construction of a catalog of X-ray spectra for mammography simulations

International Nuclear Information System (INIS)

Santos, L.C.S.; Vieira, J.W.

2017-01-01

Computational Exposure Models (MCEs) allow the simulation of the interaction of radiation with matter by means of Monte Carlo (MC) techniques. Generally, MCEs are composed of phantom, simulator algorithms of radioactive sources and an MC code to simulate the transport, interaction of the radiation with matter and to evaluate the energy deposited in regions of interest. To compose an MCE for simulations in mammography, the construction of a catalog of X-ray spectra was started, based on the catalog model constructed and using until then in MCEs by the Group of Research in Numerical Dosimetry and by the Group of Research in Computational Dosimetry & Embedded Systems (both referenced in this work as GDN). Potential of 25 kV and 35 kV and used target / filter were applied to the tube: Mo / Mo. The file containing the spectra was read correctly by EGSnrc

THE BROADBAND XMM-NEWTON AND NuSTAR X-RAY SPECTRA OF TWO ULTRALUMINOUS X-RAY SOURCES IN THE GALAXY IC 342

Energy Technology Data Exchange (ETDEWEB)

Rana, Vikram; Harrison, Fiona A.; Walton, Dominic J.; Furst, Felix; Grefenstette, Brian W.; Madsen, Kristin K. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Bachetti, Matteo; Barret, Didier; Webb, Natalie A. [Université de Toulouse, UPS-OMP, IRAP, Toulouse (France); Miller, Jon M. [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109-1042 (United States); Fabian, Andrew C. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); Boggs, Steven E.; Craig, William W. [Space Sciences Laboratory, University of California, Berkeley, CA 94720 (United States); Christensen, Finn C. [DTU Space, National Space Institute, Technical University of Denmark, Elektrovej 327, DK-2800 Lyngby (Denmark); Hailey, Charles J. [Columbia Astrophysics Laboratory, Columbia University, New York, NY 10027 (United States); Ptak, Andrew F.; Zhang, William W. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Stern, Daniel [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States)

2015-02-01

We present results for two ultraluminous X-ray sources (ULXs), IC 342 X-1 and IC 342 X-2, using two epochs of XMM-Newton and NuSTAR observations separated by ∼7 days. We observe little spectral or flux variability above 1 keV between epochs, with unabsorbed 0.3-30 keV luminosities being 1.04{sub −0.06}{sup +0.08}×10{sup 40} erg s{sup –1} for IC 342 X-1 and 7.40 ± 0.20 × 10{sup 39} erg s{sup –1} for IC 342 X-2, so that both were observed in a similar, luminous state. Both sources have a high absorbing column in excess of the Galactic value. Neither source has a spectrum consistent with a black hole binary in low/hard state, and both ULXs exhibit strong curvature in their broadband X-ray spectra. This curvature rules out models that invoke a simple reflection-dominated spectrum with a broadened iron line and no cutoff in the illuminating power-law continuum. X-ray spectrum of IC 342 X-1 can be characterized by a soft disk-like blackbody component at low energies and a cool, optically thick Comptonization continuum at high energies, but unique physical interpretation of the spectral components remains challenging. The broadband spectrum of IC 342 X-2 can be fit by either a hot (3.8 keV) accretion disk or a Comptonized continuum with no indication of a seed photon population. Although the seed photon component may be masked by soft excess emission unlikely to be associated with the binary system, combined with the high absorption column, it is more plausible that the broadband X-ray emission arises from a simple thin blackbody disk component. Secure identification of the origin of the spectral components in these sources will likely require broadband spectral variability studies.

Applying a physical continuum model to describe the broadband X-ray spectra of accreting pulsars at high luminosity

Science.gov (United States)

Pottschmidt, Katja; Hemphill, Paul B.; Wolff, Michael T.; Cheatham, Diana M.; Iwakiri, Wataru; Gottlieb, Amy M.; Falkner, Sebastian; Ballhausen, Ralf; Fuerst, Felix; Kuehnel, Matthias; Ferrigno, Carlo; Becker, Peter A.; Wood, Kent S.; Wilms, Joern

2018-01-01

A new window for better understanding the accretion onto strongly magnetized neutron stars in X-ray binaries is opening. In these systems the accreted material follows the magnetic field lines as it approaches the neutron star, forming accretion columns above the magnetic poles. The plasma falls toward the neutron star surface at near-relativistic speeds, losing energy by emitting X-rays. The X-ray spectral continua are commonly described using phenomenological models, i.e., power laws with different types of curved cut-offs at higher energies. Here we consider high luminosity pulsars. In these systems the mass transfer rate is high enough that the accreting plasma is thought to be decelerated in a radiation-dominated radiative shock in the accretion columns. While the theory of the emission from such shocks had already been developed by 2007, a model for direct comparison with X-ray continuum spectra in xspec or isis has only recently become available. Characteristic parameters of this model are the accretion column radius and the plasma temperature, among others. Here we analyze the broadband X-ray spectra of the accreting pulsars Centaurus X-3 and 4U 1626-67 obtained with NuSTAR. We present results from traditional empirical modeling as well as successfully apply the radiation-dominated radiative shock model. We also take the opportunity to compare to similar recent analyses of both sources using these and other observations.

X-ray absorption near-edge structure of GaN with high Mn concentration grown on SiC

International Nuclear Information System (INIS)

Sancho-Juan, O; Cantarero, A; Garro, N; Cros, A; Martinez-Criado, G; Salome, M; Susini, J; Olguin, D; Dhar, S

2009-01-01

By means of x-ray absorption near-edge structure (XANES) several Ga 1-x Mn x N (0.03 2 ↑ band localized in the gap region, and the corresponding anti-bonding state t 2 ↓, which seem to be responsible for the double structure which appears at the pre-edge absorption region. The shoulders and main absorption peak of the XANES spectra are attributed to transitions from the Mn(1s) band to the conduction bands, which are partially dipole allowed because of the Mn(4p) contribution to these bands.

Possible Radiation-Induced Damage to the Molecular Structure of Wooden Artifacts Due to Micro-Computed Tomography, Handheld X-Ray Fluorescence, and X-Ray Photoelectron Spectroscopic Techniques

Directory of Open Access Journals (Sweden)

Madalena Kozachuk

2016-05-01

Full Text Available This study was undertaken to ascertain whether radiation produced by X-ray photoelectron spectroscopy (XPS, micro-computed tomography (μCT and/or portable handheld X-ray fluorescence (XRF equipment might damage wood artifacts during analysis. Changes at the molecular level were monitored by Fourier transform infrared (FTIR analysis. No significant changes in FTIR spectra were observed as a result of μCT or handheld XRF analysis. No substantial changes in the collected FTIR spectra were observed when XPS analytical times on the order of minutes were used. However, XPS analysis collected over tens of hours did produce significant changes in the FTIR spectra.

The Mapping X-ray Fluorescence Spectrometer (MapX)

Science.gov (United States)

Sarrazin, P.; Blake, D. F.; Marchis, F.; Bristow, T.; Thompson, K.

2017-12-01

Many planetary surface processes leave traces of their actions as features in the size range 10s to 100s of microns. The Mapping X-ray Fluorescence Spectrometer (MapX) will provide elemental imaging at 100 micron spatial resolution, yielding elemental chemistry at a scale where many relict physical, chemical, or biological features can be imaged and interpreted in ancient rocks on planetary bodies and planetesimals. MapX is an arm-based instrument positioned on a rock or regolith with touch sensors. During an analysis, an X-ray source (tube or radioisotope) bombards the sample with X-rays or alpha-particles / gamma-rays, resulting in sample X-ray Fluorescence (XRF). X-rays emitted in the direction of an X-ray sensitive CCD imager pass through a 1:1 focusing lens (X-ray micro-pore Optic (MPO)) that projects a spatially resolved image of the X-rays onto the CCD. The CCD is operated in single photon counting mode so that the energies and positions of individual X-ray photons are recorded. In a single analysis, several thousand frames are both stored and processed in real-time. Higher level data products include single-element maps with a lateral spatial resolution of 100 microns and quantitative XRF spectra from ground- or instrument- selected Regions of Interest (ROI). XRF spectra from ROI are compared with known rock and mineral compositions to extrapolate the data to rock types and putative mineralogies. When applied to airless bodies and implemented with an appropriate radioisotope source for alpha-particle excitation, MapX will be able to analyze biogenic elements C, N, O, P, S, in addition to the cations of the rock-forming elements >Na, accessible with either X-ray or gamma-ray excitation. The MapX concept has been demonstrated with a series of lab-based prototypes and is currently under refinement and TRL maturation.

Electronic structure simulation of chromium aluminum oxynitride by discrete variational-X{alpha} method and X-ray photoelectron spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Choi, Youngmin; Chang, Hyunju; Lee, Jae Do [Korea Research Inst. of Chemical Technology, Taejon (Korea); Kim, Eunah; No, Kwangsoo [Korea Advanced Inst. of Science and Technology, Taejon (Korea)

2002-09-01

We use a first-principles discrete variational (DV)-X{alpha} method to investigate the electronic structure of chromium aluminum oxynitride. When nitrogen is substituted for oxygen in the Cr-Al-O system, the N2p level appears in the energy range between O2p and Cr3d levels. Consequently, the valence band of chromium aluminum oxynitride becomes broader and the band gap becomes smaller than that of chromium aluminum oxide, which is consistent with the photoelectron spectra for the valence band using X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). We expect that this valence band structure of chromium aluminum oxynitride will modify the transmittance slope which is a requirement for photomask application. (author)

Structure in galactic soft X-ray features

International Nuclear Information System (INIS)

Davelaar, J.

1979-01-01

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

Comparison of theoretically predicted and observed Solar Maximum Mission X-ray spectra for the 1980 April 13 and May 9 flares

International Nuclear Information System (INIS)

Smith, D.F.; Orwig, L.E.

1982-01-01

A method for predicting the hard X-ray spectrum in the 10--100 keV range for compact flares during their initial rise is developed on the basis of a thermal model. Observations of the flares of 1980 April 13, 4:05 U.T., and 1980 May 9, 7:12 U.T. are given and their combined spectra from the Hard X-ray Burst Spectrometer and Hard X-ray Imaging Spectrometer on the Solar Maximum Mission are deduced. Constraints on the cross sectional area of the supposed emitting arch are obtained from data from the Hard X-ray Imaging Spectrometer. A power-law spectrum is predicted for the rise of the flare of April 13 for initial arch densities less than 10 10 cm -3 and also for the flare of May 9 for initial arch densities less than 5.4 x 10 10 cm -3 . In both cases power-law spectra are observed. Limitations and implications of these results are discussed

Electronic structure and X-ray spectroscopic properties of YbNi{sub 2}P{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Shcherba, I.D., E-mail: ishcherba@gmail.com [Institute of Technology, University of Pedagogy, Podchorazych 2, 30-084 Krakow (Poland); Lviv National University by Ivan Franko, Lviv (Ukraine); Bekenov, L.V.; Antonov, V.N. [Institute for Metal Physics, 36 Vernadsky Street, 03142 Kiev (Ukraine); Noga, H. [Institute of Technology, University of Pedagogy, Podchorazych 2, 30-084 Krakow (Poland); Uskokovic, D. [Institute of Technical Sciences, SASA, Belgrade (Serbia); Zhak, O.; Kovalska, M.V. [Lviv National University by Ivan Franko, Lviv (Ukraine)

2016-10-15

Highlights: • We present new experimental and theoretical data for YbNi{sub 2}P{sub 2}. • The presence of divalent and trivalent Yb ion found in YbNi{sub 2}P{sub 2}. • The calculation show good agreement with the experimental measurements. - Abstract: X-ray absorption spectrum at the Yb L{sub 3} edge and X-ray emission spectra of Ni and P at the K and L{sub 2,3} edges have been studied experimentally and theoretically in the mixed valent compound YbNi{sub 2}P{sub 2} with ThCr{sub 2}Si{sub 2} type crystal structure. The electronic structure of YbNi{sub 2}P{sub 2} is investigated using the fully relativistic Dirac linear muffin-tin orbital (LMTO) band-structure method. The effect of the spin–orbit (SO) interaction and Coulomb repulsion U on the electronic structure of YbNi{sub 2}P{sub 2} is examined in the frame of the LSDA + SO + U method. The core-hole effect in the final states as well as the effect of the electric quadrupole E{sub 2} transitions have been investigated. A good agreement between the theory and the experiment was found. Both the trivalent and the divalent Yb ions in YbNi{sub 2}P{sub 2} are reflected in the experimentally measured Yb L{sub 3} X-ray absorption spectrum simultaneously. We found that the best agreement between the experimental spectrum and sum of the theoretically calculated Yb{sup 2+} and Yb{sup 3+} spectra is achieved with 73% ytterbium ions in 2+ state and 27% ions in 3+ state.

Structure of Se-rich As-Se glasses by high-resolution x-ray photoelectron spectroscopy

International Nuclear Information System (INIS)

Golovchak, R.; Kovalskiy, A.; Miller, A. C.; Jain, H.; Shpotyuk, O.

2007-01-01

To establish the validity of various proposed structural models, we have investigated the structure of the binary As x Se 100-x chalcogenide glass family (x≤40) by high-resolution x-ray photoelectron spectroscopy. From the composition dependence of the valence band, the contributions to the density of states from the 4p lone pair electrons of Se and the 4p bonding states and 4s electrons of Se and As are identified in the top part of the band. The analysis of Se 3d and As 3d core-level spectra supports the so-called chain crossing model for the atomic structure of Se-rich As x Se 100-x bulk glasses. The results also indicate small deviations (∼3-8%) from this model, especially for glass compositions with short Se chains (25 40 Se 60 and of Se-Se-Se fragments in a glass with composition x=30 is established

Electronic structure of multiferroic BiFeO3 by resonant soft-x-ray emission spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Higuchi, Tohru; Higuchi, T.; Liu, Y.-S.; Yao, P.; Glans, P.-A.; Guo, Jinghua; Chang, C.; Wu, Z.; Sakamoto, W.; Itoh, N.; Shimura, T.; Yogo, T.; Hattori, T.

2008-07-11

The electronic structure of multiferroic BiFeO{sub 3} has been studied using soft-X-ray emission spectroscopy. The fluorescence spectra exhibit that the valence band is mainly composed of O 2p state hybridized with Fe 3d state. The band gap corresponding to the energy separation between the top of the O 2p valence band and the bottom of the Fe 3d conduction band is 1.3 eV. The soft-X-ray Raman scattering reflects the features due to charge transfer transition from O 2p valence band to Fe 3d conduction band. These findings are similar to the result of electronic structure calculation by density functional theory within the local spin-density approximation that included the effect of Coulomb repulsion between localized d states.

Estimation of identification limit for a small-type OSL dosimeter on the medical images by measurement of X-ray spectra

OpenAIRE

Takegami, Kazuki ; Hayashi, Hiroaki; Okino, Hiroki; Kimoto, Natsumi ; Maehata, Itsumi ; Kanazawa, Yuki ; Okazaki, Tohru ; Hashizume, Takuya ; Kobayashi, Ikuo 

2016-01-01

Our aim in this study is to derive an identification limit on a dosimeter for not disturbing a medical image when patients wear a small-type optically stimulated luminescence (OSL) dosimeter on their bodies during X-ray diagnostic imaging. For evaluation of the detection limit based on an analysis of X-ray spectra, we propose a new quantitative identification method. We performed experiments for which we used diagnostic X-ray equipment, a soft-tissue-equivalent phantom (1–20 cm), and a CdTe X...

JEM-X: The X-ray monitor aboard INTEGRAL

DEFF Research Database (Denmark)

Lund, Niels; Budtz-Jørgensen, Carl; Westergaard, Niels Jørgen Stenfeldt

2003-01-01

The JEM-X monitor provides X-ray spectra and imaging with arcminute angular resolution in the 3 to 35 keV band. The good angular resolution and the low energy response of JEM-X plays an important role in the identification of gamma ray sources and in the analysis and scientific interpretation...

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-11-15

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

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

Science.gov (United States)

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

2018-04-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-11-21

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

X-Ray and Near-Infrared Spectroscopy of Dim X-Ray Point Sources Constituting the Galactic Ridge X-Ray Emission

Directory of Open Access Journals (Sweden)

Kumiko Morihana

2014-12-01

Full Text Available We present the results of X-ray and Near-Infrared observations of the Galactic Ridge X-ray Emission (GRXE. We extracted 2,002 X-ray point sources in the Chandra Bulge Field (l =0°.113, b = 1°.424 down to ~10-14.8 ergscm-2s-1 in 2-8 keV band with the longest observation (900 ks of the GRXE. Based on X-ray brightness and hardness, we classied the X-ray point sources into three groups: A (hard, B (soft and broad spectrum, and C (soft and peaked spectrum. In order to know populations of the X-ray point sources, we carried out NIR imaging and spectroscopy observation. We identied 11% of X-ray point sources with NIR and extracted NIR spectra for some of them. Based on X-ray and NIR properties, we concluded that non-thermal sources in the group A are mostly active galactic nuclei and the thermal sources are mostly white dwarf binaries such as cataclysmic variables (CVs and Pre-CVs. We concluded that the group B and C sources are X-ray active stars in flare and quiescence, respectively.

DXRaySMCS. First user friendly interface developed for prediction of diagnostic radiology X-ray spectra produced by Monte Carlo (MCNP-4C) simulation in Iran

International Nuclear Information System (INIS)

Bahreyni Toossi, M.T.; Zare, H.; Moradi Faradanbe, H.

2008-01-01

An accurate knowledge of the output energy spectra of an x-ray tube is essential in many areas of radiological studies. It forms the basis of almost all image quality simulations and enable system designers to predict patient dose more accurately. Many radiological physics problems that can be solved by Monte Carlo simulation methods require an x-ray spectra as input data. Computer simulation of x-ray spectra is one of the most important tools for investigation of patient dose and image quality in diagnostic radiology systems. In this work the general purpose Monte Carlo N-particle radiation transport computer code (MCNP-4C) was used for the simulation of x-ray spectra in diagnostic radiology, Electron's path in the target was followed until it's energy was reduced to 10 keV. A user friendly interface named 'Diagnostic X-ray Spectra by Monte Carlo Simulation (DXRaySMCS)' was developed to facilitate the application of MCNP-4C code for diagnostic radiology spectrum prediction. The program provides a user friendly interface for modifying the MCNP input file, launching the MCNP program to simulate electron and photon transport and processing the MCNP output file to yield a summary of the results (Relative Photon Number per Energy Bin). In this article the development and characteristics of DXRaySMCS are outlined. As part of the validation process, out put spectra for 46 diagnostic radiology system settings produced by DXRaySMCS were compared with the corresponding IPEM78. Generally, there is a good agreement between the two sets of spectra. No statistically significant differences have been observed between IPEM78 reported spectra and the simulated spectra generated in this study. (author)

Femtosecond X-ray magnetic circular dichroism absorption spectroscopy at an X-ray free electron laser

Energy Technology Data Exchange (ETDEWEB)

Higley, Daniel J., E-mail: dhigley@stanford.edu; Yuan, Edwin [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Applied Physics, Stanford University, Stanford, California 94305 (United States); Hirsch, Konstantin; Dakovski, Georgi L.; Jal, Emmanuelle; Lutman, Alberto A.; Coslovich, Giacomo; Hart, Philip; Hoffmann, Matthias C.; Mitra, Ankush; Moeller, Stefan; Ohldag, Hendrik; Seaberg, Matthew; Stöhr, Joachim; Nuhn, Heinz-Dieter; Reid, Alex H.; Dürr, Hermann A.; Schlotter, William F. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Liu, Tianmin; MacArthur, James P. [SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Department of Physics, Stanford University, Stanford, California 94305 (United States); and others

2016-03-15

X-ray magnetic circular dichroism spectroscopy using an X-ray free electron laser is demonstrated with spectra over the Fe L{sub 3,2}-edges. The high brightness of the X-ray free electron laser combined with high accuracy detection of incident and transmitted X-rays enables ultrafast X-ray magnetic circular dichroism studies of unprecedented sensitivity. This new capability is applied to a study of all-optical magnetic switching dynamics of Fe and Gd magnetic sublattices in a GdFeCo thin film above its magnetization compensation temperature.

Diagnostic Spectrometers for High Energy Density X-Ray Sources

International Nuclear Information System (INIS)

Hudson, L. T.; Henins, A.; Seely, J. F.; Holland, G. E.

2007-01-01

A new generation of advanced laser, accelerator, and plasma confinement devices are emerging that are producing extreme states of light and matter that are unprecedented for laboratory study. Examples of such sources that will produce laboratory x-ray emissions with unprecedented characteristics include megajoule-class and ultrafast, ultraintense petawatt laser-produced plasmas; tabletop high-harmonic-generation x-ray sources; high-brightness zeta-pinch and magnetically confined plasma sources; and coherent x-ray free electron lasers and compact inverse-Compton x-ray sources. Characterizing the spectra, time structure, and intensity of x rays emitted by these and other novel sources is critical to assessing system performance and progress as well as pursuing the new and unpredictable physical interactions of interest to basic and applied high-energy-density (HED) science. As these technologies mature, increased emphasis will need to be placed on advanced diagnostic instrumentation and metrology, standard reference data, absolute calibrations and traceability of results.We are actively designing, fabricating, and fielding wavelength-calibrated x-ray spectrometers that have been employed to register spectra from a variety of exotic x-ray sources (electron beam ion trap, electron cyclotron resonance ion source, terawatt pulsed-power-driven accelerator, laser-produced plasmas). These instruments employ a variety of curved-crystal optics, detector technologies, and data acquisition strategies. In anticipation of the trends mentioned above, this paper will focus primarily on optical designs that can accommodate the high background signals produced in HED experiments while also registering their high-energy spectral emissions. In particular, we review the results of recent laboratory testing that explores off-Rowland circle imaging in an effort to reclaim the instrumental resolving power that is increasingly elusive at higher energies when using wavelength

HIGHER ORDER SPECIATION EFFECTS ON PLUTONIUM L3 X-RAY ABSORPTION NEAR EDGE SPECTRA.

Energy Technology Data Exchange (ETDEWEB)

Conradson, Steven D.; Abney, Kent D.; Begg, Bruce D.; Brady, Erik D.; Clark, David L.; den Auwer, Christophe; Ding, Mei; Dorhout, Peter K.; Espinosa-Faller, Francisco J.; Gordon, Pamela L.; Hess, Nancy J.; Hess, Ryan F.; Keogh, D. Webster; Lander, Gerard H.; Lupinetti, Anthony J.; Neu, Mary P.; Palmer, Phillip D.; Paviet-Hartmann, Patricia; Reilly, Sean D.; Runde, Wolfgang H.; Tait, C. Drew; Veirs, D. Kirk

2003-06-09

Pu L{sub 3} X-ray Near Edge Absorption Spectra for Pu(0-VII) are reported for more than 50 chalcogenides, chlorides, hydrates, hydroxides, nitrates, carbonates, oxy-hydroxides, and other compounds both as solids and in solution, and substituted in zirconlite, perovksite, and borosilicate glass. This large data base extends the known correlations between the energy and shape of these spectra from the usual association of the XANES with valence and site symmetry to higher order chemical effects. Because of the large number of compounds of these different types a number of novel and unexpected behaviors are observed.

Reconstruction of X-rays spectra of clinical linear accelerators using the generalized simulated annealing method

International Nuclear Information System (INIS)

Manrique, John Peter O.; Costa, Alessandro M.

2016-01-01

The spectral distribution of megavoltage X-rays used in radiotherapy departments is a fundamental quantity from which, in principle, all relevant information required for radiotherapy treatments can be determined. To calculate the dose delivered to the patient who make radiation therapy, are used treatment planning systems (TPS), which make use of convolution and superposition algorithms and which requires prior knowledge of the photon fluence spectrum to perform the calculation of three-dimensional doses and thus ensure better accuracy in the tumor control probabilities preserving the normal tissue complication probabilities low. In this work we have obtained the photon fluence spectrum of X-ray of the SIEMENS ONCOR linear accelerator of 6 MV, using an character-inverse method to the reconstruction of the spectra of photons from transmission curves measured for different thicknesses of aluminum; the method used for reconstruction of the spectra is a stochastic technique known as generalized simulated annealing (GSA), based on the work of quasi-equilibrium statistic of Tsallis. For the validation of the reconstructed spectra we calculated the curve of percentage depth dose (PDD) for energy of 6 MV, using Monte Carlo simulation with Penelope code, and from the PDD then calculate the beam quality index TPR_2_0_/_1_0. (author)

Quasar X-Ray Spectra At z=1.5

Science.gov (United States)

Siemiginowska, Aneta

2001-01-01

The predicted counts for ASCA observation was much higher than actually observed counts in the quasar. However, there are three weak hard x-ray sources in the GIS field. We are adding them to the source counts in modeling of hard x-ray background. The work is in progress. We have published a paper in Ap.J. on the luminosity function and the quasar evolution. Based on the theory described in this paper we are predicting a number of sources and their contribution to the x-ray background at different redshifts. These model predictions will be compared to the observed data in the final paper.

SU-F-I-75: Half-Value Layer Thicknesses and Homogeneity Coefficients for Fluoroscopic X-Ray Beam Spectra Incorporating Spectral Filtration

Energy Technology Data Exchange (ETDEWEB)

Wunderle, K [Cleveland Clinic Foundation, Cleveland, OH (United States); Wayne State University School of Medicine, Detroit, MI (United States); Godley, A; Shen, Z; Dong, F [Cleveland Clinic Foundation, Cleveland, OH (United States); Rakowski, J [Wayne State University School of Medicine, Detroit, MI (United States)

2016-06-15

Purpose: The purpose of this investigation is to quantify various first half-value-layers (HVLs), second HVLs and homogeneity coefficients (HCs) for a state-of-the-art fluoroscope utilizing spectral (copper) filtration. Methods: A Radcal (Monrovia, Ca) AccuPro dosimeter with a 10×6-6 calibrated ionization chamber was used to measure air kerma for radiographic x-ray exposures made on a Siemens (Erlangen, Germany) Artis ZeeGo fluoroscope operated in the service mode. The ionization chamber was centered in the x-ray beam at 72 cm from the focal spot with a source-to-image-distance of 120 cm. The collimators were introduced to limit the x-ray field to approximately 5 cm × 5 cm at the ionization chamber plane. Type-1100 aluminum filters, in 0.5 mm increments, were used to determine the HVL. Two HVL calculation methods were used, log-linear interpolation and Lambert-W interpolation as described by Mathieu [Med Phys, 38(8), 4546 (2011)]. Multiple measurements were made at 60, 80, 100, 120 kVp at spectral filtration thicknesses of 0, 0.1, 0.3, 0.6 and 0.9 mm. Results: First HVL, second HVL, and HCs are presented for the fluoroscopic x-ray beam spectra indicated above, with nearly identical results from the two interpolation methods. Accuracy of the set kVp was also determined and deviated less than 2%. First HVLs for fluoroscopic x-ray beam spectra without spectral filtration determined in our study were 7%–16% greater than previously published data by Fetterly et al. [Med Phys, 28, 205 (2001)]. However, the FDA minimum HVL requirements changed since that publication, requiring larger HVLs as of 2006. Additionally, x-ray tube and generator architecture have substantially changed over the last 15 years providing different beam spectra. Conclusion: X-ray beam quality characteristics for state-of-the-art fluoroscopes with spectral filtration have not been published. This study provides reference data which will be useful for defining beam qualities encountered on

Evolution of Cygnus X-3 through its Radio and X-ray States

International Nuclear Information System (INIS)

Szostek, A.; Zdziarski, A. A.; McCollough, M. L.

2009-01-01

Based on X-ray spectra and studies of the long-term correlated behavior between radio and soft X-ray, we present a detailed evolution of Cyg X-3 through its radio and X-ray states. We comment on the nature of the hard X-ray tail and possible Simbol X contribution in constraining the models.

Evolution of Cygnus X-3 through its Radio and X-ray States

Science.gov (United States)

Szostek, A.; Zdziarski, A. A.; McCollough, M. L.

2009-05-01

Based on X-ray spectra and studies of the long-term correlated behavior between radio and soft X-ray, we present a detailed evolution of Cyg X-3 through its radio and X-ray states. We comment on the nature of the hard X-ray tail and possible Simbol X contribution in constraining the models.

Fast synchrotron X-ray tomography study of the rod packing structures

Energy Technology Data Exchange (ETDEWEB)

Zhang Xiaodan; Xia Chengjie; Sun Haohua; Wang Yujie [Department of Physics, Shanghai Jiao Tong University, 800 Dong Chuan Road, Shanghai 200240 (China)

2013-06-18

We present a fast synchrotron X-ray tomography study of the packing structures of rods under tapping. Utilizing the high flux of the X-rays generated from the third-generation synchrotron source, we can complete a tomography scan within several seconds, after which the three-dimensional (3D) packing structure can be obtained for the subsequent structural analysis. Due to the high-energy nature of the X-ray beam, special image processing steps including image phase-retrieval has been implemented. Overall, this study suggests the possibility of acquiring statistically significant static packing structures within a reasonable time scale using high-intensity X-ray sources.

Photovoltaic X-ray detectors based on epitaxial GaAs structures

Energy Technology Data Exchange (ETDEWEB)

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

2005-12-01

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

Electronic structure of Cr doped Fe3O4 thin films by X-ray absorption near-edge structure spectroscopy

Science.gov (United States)

Chen, Chi-Liang; Dong, Chung-Li; Asokan, Kandasami; Chern, G.; Chang, C. L.

2018-04-01

Present study reports the electronic structures of Cr doped Fe3O4 (Fe3-xCrxO4 (0 ≤ x ≤ 3) grown on MgO (100) substrates in the form of thin films fabricated by a plasma-oxygen assisted Molecular Beam Epitaxy (MBE). X-ray absorption near-edge structure (XANES) spectra at Cr & Fe L-, and O K-edges were used to understand the electronic structure: changes in the bonding nature, valence states, and site occupancies. Cr doping in Fe3O4 results in the change of charge transfer, crystal structure, and selective occupation of ions in octahedral and tetrahedral sites. Such change modifies the electrical and magnetic properties due to the covalency of Cr ions. The physical and chemical properties of ferrites are strongly dependent on the lattice site, ion size of dopant, and magnetic nature present at different structural symmetry of the spinel structure.

Analysis of X-ray Spectra of High-Z Elements obtained on Nike with high spectral and spatial resolution

Science.gov (United States)

Aglitskiy, Yefim; Weaver, J. L.; Karasik, M.; Serlin, V.; Obenschain, S. P.; Ralchenko, Yu.

2014-10-01

The spectra of multi-charged ions of Hf, Ta, W, Pt, Au and Bi have been studied on Nike krypton-fluoride laser facility with the help of two kinds of X-ray spectrometers. First, survey instrument covering a spectral range from 0.5 to 19.5 angstroms which allows simultaneous observation of both M- and N- spectra of above mentioned elements with high spectral resolution. Second, an imaging spectrometer with interchangeable spherically bent Quartz crystals that added higher efficiency, higher spectral resolution and high spatial resolution to the qualities of the former one. Multiple spectral lines with X-ray energies as high as 4 keV that belong to the isoelectronic sequences of Fe, Co, Ni, Cu and Zn were identified with the help of NOMAD package developed by Dr. Yu. Ralchenko and colleagues. In our continuous effort to support DOE-NNSA's inertial fusion program, this campaign covered a wide range of plasma conditions that result in production of relatively energetic X-rays. Work supported by the US DOE/NNSA.

High resolution x-ray fluorescence spectroscopy - a new technique for site- and spin-selectivity

International Nuclear Information System (INIS)

Wang, Xin

1996-12-01

X-ray spectroscopy has long been used to elucidate electronic and structural information of molecules. One of the weaknesses of x-ray absorption is its sensitivity to all of the atoms of a particular element in a sample. Through out this thesis, a new technique for enhancing the site- and spin-selectivity of the x-ray absorption has been developed. By high resolution fluorescence detection, the chemical sensitivity of K emission spectra can be used to identify oxidation and spin states; it can also be used to facilitate site-selective X-ray Absorption Near Edge Structure (XANES) and site-selective Extended X-ray Absorption Fine Structure (EXAFS). The spin polarization in K fluorescence could be used to generate spin selective XANES or spin-polarized EXAFS, which provides a new measure of the spin density, or the nature of magnetic neighboring atoms. Finally, dramatic line-sharpening effects by the combination of absorption and emission processes allow observation of structure that is normally unobservable. All these unique characters can enormously simplify a complex x-ray spectrum. Applications of this novel technique have generated information from various transition-metal model compounds to metalloproteins. The absorption and emission spectra by high resolution fluorescence detection are interdependent. The ligand field multiplet model has been used for the analysis of Kα and Kβ emission spectra. First demonstration on different chemical states of Fe compounds has shown the applicability of site selectivity and spin polarization. Different interatomic distances of the same element in different chemical forms have been detected using site-selective EXAFS

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

International Nuclear Information System (INIS)

Luo, Y.

2004-01-01

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

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

International Nuclear Information System (INIS)

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

2006-01-01

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

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

International Nuclear Information System (INIS)

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

1992-01-01

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

Probing the Cosmic X-Ray and MeV Gamma-Ray Background Radiation through the Anisotropy

Energy Technology Data Exchange (ETDEWEB)

Inoue, Yoshiyuki [Stanford Univ., CA (United States). Kavli Inst. for Particle Astrophysics and Cosmology; SLAC National Accelerator Lab., Menlo Park, CA (United States); Murase, Kohta [Inst. for Advanced Study, Princeton, NJ (United States). School of Natural Sciences; Madejski, Grzegorz M. [Stanford Univ., CA (United States). Kavli Inst. for Particle Astrophysics and Cosmology; SLAC National Accelerator Lab., Menlo Park, CA (United States); Uchiyama, Yasunobu [Stanford Univ., CA (United States). Kavli Inst. for Particle Astrophysics and Cosmology; SLAC National Accelerator Lab., Menlo Park, CA (United States); Rikkyo Univ., Tokyo (Japan). Dept. of Physics

2013-09-24

While the cosmic soft X-ray background is very likely to originate from individual Seyfert galaxies, the origin of the cosmic hard X-ray and MeV gamma-ray background is not fully understood. It is expected that Seyferts including Compton thick population may explain the cosmic hard X-ray background. At MeV energy range, Seyferts having non-thermal electrons in coronae above accretion disks or MeV blazars may explain the background radiation. We propose that future measurements of the angular power spectra of anisotropy of the cosmic X-ray and MeV gamma-ray backgrounds will be key to deciphering these backgrounds and the evolution of active galactic nuclei (AGNs). As AGNs trace the cosmic large-scale structure, spatial clustering of AGNs exists. We show that e-ROSITA will clearly detect the correlation signal of unresolved Seyferts at 0.5-2 keV and 2-10 keV bands and will be able to measure the bias parameter of AGNs at both bands. Once the future hard X-ray all sky satellites achieve the sensitivity better than 10^-12 erg/cm²/s^-1 at 10-30 keV or 30-50 keV - although this is beyond the sensitivities of current hard X-ray all sky monitors - angular power spectra will allow us to independently investigate the fraction of Compton-thick AGNs in all Seyferts. We also find that the expected angular power spectra of Seyferts and blazars in the MeV range are different by about an order of magnitude, where the Poisson term, so-called shot noise, is dominant. Current and future MeV instruments will clearly disentangle the origin of the MeV gamma-ray background through the angular power spectrum.

Probing the cosmic x-ray and MeV gamma ray background radiation through the anisotropy

Energy Technology Data Exchange (ETDEWEB)

Inoue, Yoshiyuki [Stanford Univ., CA (United States); Murase, Kohta [Inst. for Advanced Study, Princeton, NJ (United States); Madejski, Grzegorz M. [Stanford Univ., CA (United States); Uchiyama, Yasunobu [Stanford Univ., CA (United States); Rikkyo Univ., Tokyo (Japan)

2013-09-24

While the cosmic soft X-ray background is very likely to originate from individual Seyfert galaxies, the origin of the cosmic hard X-ray and MeV gamma-ray background is not fully understood. It is expected that Seyferts including Compton thick population may explain the cosmic hard X-ray background. At MeV energy range, Seyferts having non-thermal electrons in coronae above accretion disks or MeV blazars may explain the background radiation. We propose that future measurements of the angular power spectra of anisotropy of the cosmic X-ray and MeV gamma-ray backgrounds will be key to deciphering these backgrounds and the evolution of active galactic nuclei (AGNs). As AGNs trace the cosmic large-scale structure, spatial clustering of AGNs exists. We show that e-ROSITA will clearly detect the correlation signal of unresolved Seyferts at 0.5-2 keV and 2-10 keV bands and will be able to measure the bias parameter of AGNs at both bands. Once future hard X-ray all sky satellites achieve a sensitivity better than 10–12 erg cm–2 s–1 at 10-30 keV or 30-50 keV—although this is beyond the sensitivities of current hard X-ray all sky monitors—angular power spectra will allow us to independently investigate the fraction of Compton-thick AGNs in all Seyferts. We also find that the expected angular power spectra of Seyferts and blazars in the MeV range are different by about an order of magnitude, where the Poisson term, so-called shot noise, is dominant. Current and future MeV instruments will clearly disentangle the origin of the MeV gamma-ray background through the angular power spectrum.

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

International Nuclear Information System (INIS)

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

2005-01-01

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

Electron-ion-x-ray spectrometer system

International Nuclear Information System (INIS)

Southworth, S.H.; Deslattes, R.D.; MacDonald, M.A.

1993-01-01

The authors describe a spectrometer system developed for electron, ion, and x-ray spectroscopy of gas-phase atoms and molecules following inner-shell excitation by tunable synchrotron radiation. The spectrometer has been used on beamline X-24A at the National Synchrotron Light Source for excitation-dependent studies of Ar L-shell and K-shell photoexcitation and vacancy decay processes. The instrumentation and experimental methods are discussed, and examples are given of electron spectra and coincidence spectra between electrons and fluorescent x-rays

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

CERN Document Server

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

1997-01-01

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

X-ray photoelectron and x-ray-induced auger electron spectroscopic data, 2

International Nuclear Information System (INIS)

Baba, Yuji; Sasaki, Teikichi

1984-04-01

The intrinsic data of the X-ray photoelectron spectra (XPS) and X-ray-induced Auger electron spectra (XAES) for 4d transition-metals and related oxides were obtained by means of a spherical electron spectrometer. The metallic surfaces were cleaned by two different metheds : mechanical filing and Ar + ion etching. In the case of the Ar + io n bombarded Y, Zr, and Nb metals, the binding energies of the core-lines and the kinetic energies of the Auger lines shift from those for the mechanically filed surfaces. The energy shifts were interpreted in terms of the ion-induced lattice distortion of the metal surfaces. The oxides examined are typical compounds such as Y 2 O 3 , ZrO 2 , Nb 2 O 5 , MoO 3 and RuO 2 . The data consists of 4 wide scans, 33 core-line spectra, 10 valence-band spectra and 12 XAES spectra. The peak positions of the core-lines and the Auger lines were summarized in 6 tables together with their chemical shifts. (author)

High-resolution measurements of x rays from ion-atom collisions

International Nuclear Information System (INIS)

Knudson, A.R.

1974-01-01

High resolution measurements of K x-ray spectra produced by ion-atom collisions at MeV energies are presented. These measurements indicate that a distribution of L-shell vacancies accompanies K-shell excitation. The variation of these spectra as a function of incident ion energy and atomic number is discussed. Difficulties in the analysis of these spectra due to rearrangement of vacancies between the time of the collision and the time of x-ray emission are considered. The use of high resolution x-ray measurements to obtain information on projectile ion vacancy configurations is demonstrated by data for Ar ions in KCl. X-ray spectra from Al projectiles in a variety of targets were measured and the effect of target composition on these spectra is discussed

Operando Soft X-ray Absorption Spectroscopic Study on a Solid Oxide Fuel Cell Cathode during Electrochemical Oxygen Reduction.

Science.gov (United States)

Nakamura, Takashi; Oike, Ryo; Kimura, Yuta; Tamenori, Yusuke; Kawada, Tatsuya; Amezawa, Koji

2017-05-09

An operando soft X-ray absorption spectroscopic technique, which enabled the analysis of the electronic structures of the electrode materials at elevated temperature in a controlled atmosphere and electrochemical polarization, was established and its availability was demonstrated by investigating the electronic structural changes of an La 2 NiO 4+δ dense-film electrode during an electrochemical oxygen reduction reaction. Clear O K-edge and Ni L-edge X-ray absorption spectra could be obtained below 773 K under an atmospheric pressure of 100 ppm O 2 /He, 0.1 % O 2 /He, and 1 % O 2 /He gas mixtures. Considerable spectral changes were observed in the O K-edge X-ray absorption spectra upon changing the PO2 and application of electrical potential, whereas only small spectral changes were observed in Ni L-edge X-ray absorption spectra. A pre-edge peak of the O K-edge X-ray absorption spectra, which reflects the unoccupied partial density of states of Ni 3d-O 2p hybridization, increased or decreased with cathodic or anodic polarization, respectively. The electronic structural changes of the outermost orbital of the electrode material due to electrochemical polarization were successfully confirmed by the operando X-ray absorption spectroscopic technique developed in this study. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Equivalent half-value thickness and mean energies of filtered X-ray bremsstrahlung spectra

International Nuclear Information System (INIS)

Seelentag, W.W.; Panzer, W.

1980-01-01

X-ray beam qualities are often conveniently described by half-value thicknesses (in connection with tube voltage and filtration). Aluminium and copper are commonly used as half-value thickness materials, and either material may be used in a large intermediate energy range. Data comparisons frequently require conversions from values in Al to values in Cu. Equivalent half-value thicknesses for polychromatic radiations depend on the shapes of the spectra, but spectrometry is too expensive for routine application. Half-value thicknesses in both Al and Cu have been determined for some 250 spectra (tube potentials 10 to 300 kV). The results are tabulated, and these results together with a nomogram enable conversion with an accuracy of better than +- 5% in most cases. (UK)

X-ray emission in heavy-ion collisions. Progress report, April 1, 1980-February 28, 1981

International Nuclear Information System (INIS)

Watson, R.L.

1981-03-01

During the past year, work on x-ray emission in heavy-ion collisions has concentrated on the following topics: environmental influences on the Kα x-ray spectra of 65-MeV sulfur ions traveling in solids; multiplet structure of few-electron sulfur ions; multiplet structure of Mg Kα x-ray satellites; polarization of 1s2p→1s 2 transitions in He-like sulfur ions; and interatomic electron transfer in ionic fluorine compounds following 1s2p vacancy production. Among the most significant accomplishments of the program was a study of the dependence of dynamic screening energy shifts on electron density. It was found that the shifts measured for the 2 1 P→1 1 S and 2 2 P→1 2 S x-ray transitions of He- and H-like sulfur ions (respectively) were in remarkably good agreement with theoretical expectations. Another interesting discovery evolved from measurements of fluorine Kα x-ray spectra for the alkali metal and alkaline earth fluorides using 5.5-MeV He + ions. The systematics of these spectra provide the first evidence for direct electron transfer between inner levels of neighboring atoms in a solid. 10 figures, 3 tables

X-ray diagnostic in gas discharge

International Nuclear Information System (INIS)

Chen Suhe; Wang Dalun; Cui Gaoxian; Wang Mei; Fu Yibei; Zhang Xinwei; Zhang Wushou

1995-01-01

X rays were observed when the anomalous phenomenon in the metal loaded with deuterium studied by the gas-discharge method. Therefore the X-ray energy spectra were measured by the absorption method, the specific X-ray approach and the NaI scintillation counter, while X-ray intensity was estimated by using 7 Li thermoluminescent foils. The X-ray average energy measured by the absorption method is 27.6 +- 2.1 keV, which is fitted within the error extent to 26.0 +-2.4 keV monoenergetic X rays measured by the NaI scintillation counter

The development of structural x-ray crystallography

Science.gov (United States)

Woolfson, M. M.

2018-03-01

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

Inner Disk Structure of Dwarf Novae in the Light of X-Ray Observations

Directory of Open Access Journals (Sweden)

S. Balman

2015-02-01

Full Text Available Diversity of the X-ray observations of dwarf nova are still not fully understood. I review the X-ray spectral characteristics of dwarf novae during the quiescence in general explained by cooling flow models and the outburst spectra that show hard X-ray emission dominantly with few sources that reveal soft X-ray/EUV blackbody emission. The nature of aperiodic time variability of brightness of dwarf novae shows band limited noise, which can be adequately described in the framework of the model of propagating fluctuations. The frequency of the break (1-6 mHz indicates inner disk truncation of the optically thick disk with a range of radii (3.0-10.0×109 cm. The RXTE and optical (RTT150 data of SS Cyg in outburst and quiescence reveal that the inner disk radius moves towards the white dwarf and receeds as the outburst declines to quiescence. A preliminary analysis of SU UMa indicates a similar behaviour. In addition, I find that the outburst spectra of WZ Sge shows two component spectrum of only hard X-ray emission, one of which may be fitted with a power law suggesting thermal Comptonization occuring in the system. Cross-correlations between the simultaneous UV and X-ray light curves (XMM −Newton of five DNe in quiescence show time lags in the X-rays of 96-181 sec consistent with travel time of matter from a truncated inner disk to the white dwarf surface. All this suggests that dwarf novae and other plausible nonmagnetic systems have truncated accretion disks indicating that the disks may be partially evaporated and the accretion may occur through hot (coronal flows in the disk.

Radiation detectors of PIN type for X-rays

International Nuclear Information System (INIS)

Ramirez-Jimenez, F.J.

2003-01-01

In this laboratory session, tree experiments are proposed: the measurement of X-ray energy spectra from radioactive sources with a high resolution cooled Si-Li detector, with a room temperature PIN diode and the measurement of the response of a PIN diode to the intensity of X-rays of radio-diagnostic units. The spectra obtained with the Si-Li detector help to understand the energy distribution of X-rays and are used as a reference to compare the results obtained with the PIN diode. Measurements in medical X-ray machines are proposed. Low cost, simple electronic instruments and systems are used as tools to make measurements in X-ray units used in radio-diagnostic

ERX: a software for editing files containing X-ray spectra to be used in exposure computational models

International Nuclear Information System (INIS)

Cabral, Manuela O.M.; Vieira, Jose W.; Silva, Alysson G.; Leal Neto, Viriato; Oliveira, Alex C.H.; Lima, Fernando R.A.

2011-01-01

Exposure Computational Models (ECMs) are utilities that simulate situations in which occurs irradiation in a given environment. An ECM is composed primarily by an anthropomorphic model (phantom), and a Monte Carlo code (MC). This paper presents a tutorial of the software Espectro de Raios-X (ERX). This software performs reading and numerical and graphical analysis of text files containing diagnostic X-ray spectra for use in algorithms of radioactive sources in the ECMs of a Grupo de Dosimetria Numerica. The ERX allows the user to select one among several X-ray spectrums in the energy range Diagnostic radiology X-Ray most commonly used in radiology clinics. In the current version of the ERX there are two types of input files: the contained in mspectra.dat file and the resulting of MC simulations in Geant4. The software allows the construction of charts of the Probability Density Function (PDF) and Cumulative Distribution Function (CDF) of a selected spectrum as well as the table with the values of these functions and the spectrum. In addition, the ERX allows the user to make comparative analysis between the PDF graphics of the two catalogs of spectra available, besides being can perform dosimetric evaluations with the selected spectrum. A software of this kind is an important computational tool for researchers in numerical dosimetry because of the diversity of Diagnostic radiology X-Ray machines, which implies in a mass of input data highly diverse. And because of this, the ERX provides independence to the group related to the data origin that is contained in the catalogs created, not being necessary to resort to others. (author)

Monte Carlo simulations of plutonium gamma-ray spectra

International Nuclear Information System (INIS)

Koenig, Z.M.; Carlson, J.B.; Wang, Tzu-Fang; Ruhter, W.D.

1993-01-01

Monte Carlo calculations were investigated as a means of simulating the gamma-ray spectra of Pu. These simulated spectra will be used to develop and evaluate gamma-ray analysis techniques for various nondestructive measurements. Simulated spectra of calculational standards can be used for code intercomparisons, to understand systematic biases and to estimate minimum detection levels of existing and proposed nondestructive analysis instruments. The capability to simulate gamma-ray spectra from HPGe detectors could significantly reduce the costs of preparing large numbers of real reference materials. MCNP was used for the Monte Carlo transport of the photons. Results from the MCNP calculations were folded in with a detector response function for a realistic spectrum. Plutonium spectrum peaks were produced with Lorentzian shapes, for the x-rays, and Gaussian distributions. The MGA code determined the Pu isotopes and specific power of this calculated spectrum and compared it to a similar analysis on a measured spectrum

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

Science.gov (United States)

Lee, Jay Min

1990-08-01

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

Soft X-ray absorption spectra of aqueous salt solutions with highly charged cations in liquid microjets

Energy Technology Data Exchange (ETDEWEB)

Schwartz, Craig P.; Uejio, Janel S.; Duffin, Andrew M.; Drisdell, Walter S.; Smith, Jared D.; Saykally, Richard J.

2010-03-11

X-ray absorption spectra of 1M aqueous solutions of indium (III) chloride, yttrium (III) bromide, lanthanum (III) chloride, tin (IV) chloride and chromium (III) chloride have been measured at the oxygen K-edge. Relatively minor changes are observed in the spectra compared to that of pure water. SnCl{sub 4} and CrCl{sub 3} exhibit a new onset feature which is attributed to formation of hydroxide or other complex molecules in the solution. At higher energy, only relatively minor, but salt-specific changes in the spectra occur. The small magnitude of the observed spectral changes is ascribed to offsetting perturbations by the cations and anions.

Resonant X-ray emission spectroscopy in Dy compounds

International Nuclear Information System (INIS)

Tanaka, Satoshi; Okada, Kozo; Kotani, Akio.

1994-01-01

The excitation spectrum of the L 3 -M 5 X-ray emission of Dy compounds in the pre-edge region of Dy L 3 X-ray absorption near edge structure (L 3 -XANES) is theoretically investigated based upon the coherent second order optical formula with multiplet coupling effects. The spectral broadening of the excitation spectrum is determined by the M 5 core hole lifetime, being free from the L 3 core hole lifetime. The fine pre-edge structure of the L 3 edge due to the 2p→4f quadrupole transition can be seen in the excitation spectrum, while this structure is invisible in the conventional XANES, in agreement with the recent experimental results. We clarify the conditions for the excitation spectrum to be regarded as the absorption spectrum with a smaller width. The resonant X-ray emission spectra for various incident photon energies around the L 3 edge are also calculated. (author)

Resonant inelastic x-ray scattering on iso-C₂H₂Cl₂ around the chlorine K-edge: structural and dynamical aspects.

Science.gov (United States)

Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok; Kavčič, Matjaž; Céolin, Denis; Khoury, Antonio; Simon, Marc

2014-10-14

We report a theoretical and experimental study of the high resolution resonant K(α) X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K(α) emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

Effect of oxide charge trapping on x-ray photoelectron spectroscopy of HfO2/SiO2/Si structures

International Nuclear Information System (INIS)

Abe, Yasuhiro; Miyata, Noriyuki; Suzuki, Haruhiko; Kitamura, Koji; Igarashi, Satoru; Nohira, Hiroshi; Ikenaga, Eiji

2009-01-01

We examined the effects of interfacial SiO 2 layers and a surface metal layer on the photoelectron spectra of HfO 2 /SiO 2 /Si structures by hard X-ray photoemission spectroscopy with synchrotron radiation as well as conventional X-ray photoelectron spectroscopy (XPS). The Hf 4f and Hf 3d photoelectron peaks broadened and shifted toward a higher binding energy with increasing thickness of the interfacial SiO 2 layer, even though photoelectrons may have been emitted from the HfO 2 layer with the same chemical composition. Thinning the interfacial Si oxide layer to approximately one monolayer and depositing a metal layer on the HfO 2 surface suppressed these phenomena. The O 1s photoelectron spectra revealed marked differences between the metal- and nonmetal-deposited HfO 2 /SiO 2 /Si structures; HfO 2 and SiO 2 components in the O 1s photoelectron spectra for the metal-deposited structures were observed at reasonably separated binding energies, but those for the nonmetal-deposited structures were not separated clearly. From this behavior concerning the effects of interfacial SiO 2 and surface metal layers, we concluded that the Hf 4f, Hf 3d, and O 1s spectra measured from the HfO 2 /SiO 2 /Si structures did not reflect actual chemical bonding states. We consider that potential variations in the HfO 2 film owing to charge trapping strongly affect the measured photoelectron spectra. On the basis of angle-resolved XPS measurements, we propose that positive charges are trapped at the HfO 2 surface and negative charges are trapped inside the HfO 2 layer. (author)

NuSTAR Hard X-Ray Survey of the Galactic Center Region. II. X-Ray Point Sources

DEFF Research Database (Denmark)

Hong, JaeSub; Mori, Kaya; Hailey, Charles J.

2016-01-01

persistent luminous X-ray binaries (XBs) and the likely run-away pulsar called the Cannonball. New source-detection significance maps reveal a cluster of hard (>10 keV) X-ray sources near the Sgr. A diffuse complex with no clear soft X-ray counterparts. The severe extinction observed in the Chandra spectra...

X-rays as a probe of the Universe

Indian Academy of Sciences (India)

Table of contents. X-rays as a probe of the Universe · Probing the Universe ….. Flux = sT4 umax = 1011 T (in Kelvin) · History of x-ray astronomy · X-ray Production · X-ray spectra · Celestial sphere as seen by UHURU (1970) · Slide 8 · X-rays from accreting binary systems · Slide 10 · Neutron stars: Black Hole: · Primary X-ray ...

X-ray binaries, part 1

International Nuclear Information System (INIS)

Hammerschlag-Hensberge, G.C.M.J.

1977-01-01

Optical observations of X-ray binaries and their interpretation are described. A number of early-type stars which are identified as companions of X-ray sources are photometrically and spectroscopically observed. The spectra were obtained with the coude spectrograph attached to the 1.5 m telescope of the European Southern Observatory, La Silla, Chile. Registrations of the spectra were made with the Faul-Coradi microphotometer of the Observatory at Utrecht. To study radial velocity variations, the positions of the spectral lines were measured with the Grant comparator of the University of Groningen

Molecular environment of iodine in naturally iodinated humic substances: Insight from X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Schlegel, Michel L.; Mercier-Bion, Florence; Barre, Nicole; Reiller, Pascal; Moulin, Valerie

2006-01-01

The molecular environment of iodine in reference inorganic and organic compounds, and in dry humic and fulvic acids (HAs and FAs) extracted from subsurface and deep aquifers was probed by iodine L-3-edge X-ray absorption spectroscopy. The X-ray absorption near-edge structure (XANES) of iodine spectra from HAs and FAs resembled those of organic references and displayed structural features consistent with iodine forming covalent bonds with organic molecules. Simulation of XANES spectra by linear combination of reference spectra suggested the predominance of iodine forming covalent bonds to aromatic rings (aromatic-bound iodine). Comparison of extended X-ray absorption fine structure (EXAFS) spectra of reference and samples further showed that iodine was surrounded by carbon shells at distances comparable to those for references containing aromatic-bound iodine. Quantitative analysis of EXAFS spectra indicated that iodine was bound to about one carbon at a distance d(I-C) of 2.01(4)-2.04(9) angstrom, which was comparable to the distances observed for aromatic-bound iodine in references (1.99(1)-2.07(6) angstrom), and significantly shorter than that observed for aliphatic-bound iodine (2.15(2)-2.16(2) angstrom). These results are in agreement with previous conclusions from X-ray photoelectron spectroscopy and from electro-spray ionization mass spectrometry. These results collectively suggest that the aromatic-bound iodine is stable in the various aquifers of this study. (authors)

Electronic structure of Pt-Co cathode catalysts in membrane electrolyte assembly observed by X-ray absorption fine structure spectroscopy with different probing depth

International Nuclear Information System (INIS)

Kobayashi, M.; Hidai, S.; Niwa, H.; Harada, Y.; Oshima, M.; Ofuchi, H.; Nakamori, Y.; Aoki, T.

2010-01-01

Electronic structures of Pt-Co cathode and Pt-Ru anode catalysts in membrane electrolyte assemblies (MEAs) for polymer electrolyte fuel cell have been investigated using X-ray absorption near edge structure (XANES) spectroscopy, and the changes of electronic structures accompanied with degradation have been observed by comparison between spectra obtained by fluorescence-yield (FY) and conversion-electron-yield (CEY) methods, probing depths of which are several hundreds μm and ∼100 nm, respectively. The Co K XANES spectra of the as-fabricated MEA show that the Co atoms in the cathode are metallic and oxidized Co ions exist at the interface between the cathode and electrolyte. The spectra of the long-time operated MEA suggest that the oxidation of Co makes progress with degradation of the cathode catalysts. In contrast to the Co K XANES spectra, the line shape of the Ru K XANES spectra is unchanged even after the long-time operation.

X-ray streak crystal spectography

International Nuclear Information System (INIS)

Kauffman, R.L.; Brown, T.; Medecki, H.

1983-01-01

We have built an x-ray streaked crystal spectrograph for making time-resolved x-ray spectral measurements. This instrument can access Bragg angles from 11 0 to 38 0 and x-ray spectra from 200 eV to greater than 10 keV. We have demonstrated resolving powers, E/δE > 200 at 1 keV and time resolution less than 20 psec. A description of the instrument and an example of the data is given

X-ray spectroscopy and dosimetry with a portable CdTe device

International Nuclear Information System (INIS)

Abbene, Leonardo; La Manna, Angelo; Fauci, Francesco; Gerardi, Gaetano; Stumbo, Simone; Raso, Giuseppe

2007-01-01

X-ray spectra and dosimetry information are very important for quality assurance (QA) and quality control (QC) in medical diagnostic X-ray systems. An accurate knowledge of the diagnostic X-ray spectra would improve the patient dose optimization, without compromising image information. In this work, we performed direct diagnostic X-ray spectra measurements with a portable device, based on a CdTe solid-state detector. The portable device is able to directly measure X-ray spectra at high photon fluence rates, as typical of clinical radiography. We investigated on the spectral performances of the system in the mammographic energy range (up to ∼40 keV). Good system response to monoenergetic photons was measured (energy resolution of 5% FWHM at 22.1 keV). We measured the molybdenum X-ray spectra produced by a mammographic X-ray unit (GE Senographe DMR) at 28 kV and 30 kV under clinical conditions. The results showed the good reproducibility of the system and low pile-up distortions. Preliminary dosimetric measurements have been regarded as exposure and half value layer (HVL) values obtained from direct measurements and from measured X-ray spectral data, and a good agreement between exposure attenuation curves and the HVL values was obtained. The results indicated that the portable device is suitable for mammographic X-ray spectroscopy under clinical conditions

Anatomy of the AGN in NGC 5548. IX. Photoionized emission features in the soft X-ray spectra

Science.gov (United States)

Mao, Junjie; Kaastra, J. S.; Mehdipour, M.; Gu, Liyi; Costantini, E.; Kriss, G. A.; Bianchi, S.; Branduardi-Raymont, G.; Behar, E.; Di Gesu, L.; Ponti, G.; Petrucci, P.-O.; Ebrero, J.

2018-04-01

The X-ray narrow emission line region (NELR) of the archetypal Seyfert 1 galaxy NGC 5548 has been interpreted as a single-phase photoionized plasma that is absorbed by some of the warm absorber components. This scenario requires those overlaying warm absorber components to have larger distance (to the central engine) than the X-ray NELR, which is not fully consistent with the distance estimates found in the literature. Therefore, we reanalyze the high-resolution spectra obtained in 2013-2014 with the Reflection Grating Spectrometer (RGS) aboard XMM-Newton to provide an alternative interpretation of the X-ray narrow emission features. We find that the X-ray narrow emission features in NGC 5548 can be described by a two-phase photoionized plasma with different ionization parameters (logξ = 1.3 and 0.1) and kinematics (vout = -50 and -400 km s-1), and no further absorption by the warm absorber components. The X-ray and optical NELR might be the same multi-phase photoionized plasma. Both X-ray and optical NELR have comparable distances, asymmetric line profiles, and the underlying photoionized plasma is turbulent and compact in size. The X-ray NELR is not the counterpart of the UV/X-ray absorber outside the line of sight because their distances and kinematics are not consistent. In addition, X-ray broad emission features that we find in the spectrum can be accounted for by a third photoionized emission component. The RGS spectrum obtained in 2016 is analyzed as well, where the luminosity of most prominent emission lines (the O VII forbidden line and O VIII Lyα line) are the same (at a 1σ confidence level) as in 2013-2014.

Relative probabilities of the uranium isotopes for thorium x-ray emission and fluorescence of uranium x-rays

International Nuclear Information System (INIS)

Parker, J.L.

1991-01-01

Both thorium x-rays from decaying uranium isotopes and self-fluoresced uranium x-rays are prominent in high-resolution gamma-ray spectra of uranium-bearing materials. Useful application of the information carried by those x-rays has been curtailed because the probabilities of the uranium isotopes for thorium x-ray emission and for uranium x-ray fluorescence have not been known. By analyzing enrichment-meter geometry spectra from uranium oxide standards whose enrichments ranged from 0.7% to 91%, relative values, primarily, have been obtained for the probabilities of both processes. Thorium x-ray emission is very heavily dominated by 235 U. In all ordinarily occurring uranium isotopic distributions, thorium x-rays may be used as a valid 235 U signature. The probability for a thorium K α1 x-ray to be emitted in the decay of a 235 U atom is 0.048 ±0.002. In infinitely thick uranium oxide materials, the relative ratios of effectiveness for self-fluorescence, on a per unit mass basis, are approximately 234 U : 235 U : 236 U : 238 U = 1.13 : 1.00 : 0.52 : 0.028. on a per decay basis, the approximate ratios are 0.00039 : 1.00 : 0.017 : 0.18. These results imply that, contrary to what has often been stated, gamma rays are far more important than alpha particles in the self-fluorescence of uranium. Because of the importance of gamma-ray self-fluorescence, the uranium x-ray yield will be somewhat influenced by the size, shape, and composition of the materials. 4 refs., 1 fig

Valence-to-core-detected X-ray absorption spectroscopy

DEFF Research Database (Denmark)

Hall, Eleanor R.; Pollock, Christopher J.; Bendix, Jesper

2014-01-01

X-ray absorption spectroscopy (XAS) can provide detailed insight into the electronic and geometric structures of transition-metal active sites in metalloproteins and chemical catalysts. However, standard XAS spectra inherently represent an average contribution from the entire coordination...... environment with limited ligand selectivity. To address this limitation, we have investigated the enhancement of XAS features using valence-to-core (VtC)-detected XAS, whereby XAS spectra are measured by monitoring fluorescence from valence-to-core X-ray emission (VtC XES) events. VtC emission corresponds...... to transitions from filled ligand orbitals to the metal 1s core hole, with distinct energetic shifts for ligands of differing ionization potentials. VtC-detected XAS data were obtained from multiple valence emission features for a series of well-characterized Mn model compounds; taken together, these data...

A structural study of ceramic oxides by X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Akhtar, M.J.

1995-01-01

A detailed structural study of ceramic oxides is presented by employing X-ray Absorption Spectroscopy (XAS). In the present work X-ray Absorption Near Edge Structure (XANES) is used for the investigation of valence state of metal cations; whereas, Extended X-ray Absorption Fine Structure EXAFS) is employed for the determination for bond lengths, coordination numbers and nature of the elements present in the near neighbour shells surrounding the absorbing atom. These results show that local environment of dopant and host cations are different; and this variation in local structure depends on the nature and concentration of the dopant ions. (author)

Correlated single-crystal electronic absorption spectroscopy and X-ray crystallography at NSLS beamline X26-C

International Nuclear Information System (INIS)

Orville, A.M.; Buono, R.; Cowan, M.; Heroux, A.; Shea-McCarthy, G.; Schneider, D.K.; Skinner, J.M.; Skinner, M.J.; Stoner-Ma, D.; Sweet, R.M.

2011-01-01

The research philosophy and new capabilities installed at NSLS beamline X26-C to support electronic absorption and Raman spectroscopies coupled with X-ray diffraction are reviewed. This beamline is dedicated full time to multidisciplinary studies with goals that include revealing the relationship between the electronic and atomic structures in macromolecules. The beamline instrumentation has been fully integrated such that optical absorption spectra and X-ray diffraction images are interlaced. Therefore, optical changes induced by X-ray exposure can be correlated with X-ray diffraction data collection. The installation of Raman spectroscopy into the beamline is also briefly reviewed. Data are now routinely generated almost simultaneously from three complementary types of experiments from the same sample. The beamline is available now to the NSLS general user population.

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

African Journals Online (AJOL)

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

Time-resolved x-ray laser induced photoelectron spectroscopy of isochoric heated copper

International Nuclear Information System (INIS)

Nelson, A.J.; Dunn, J.; Hunter, J.; Widmann, K.

2005-01-01

Time-resolved x-ray photoelectron spectroscopy is used to probe the nonsteady-state evolution of the valence band electronic structure of laser heated ultrathin (50 nm) copper. A metastable phase is studied using a 527 nm wavelength 400 fs laser pulse containing 0.1-2.5 mJ laser energy focused in a large 500x700 μm 2 spot to create heated conditions of 0.07-1.8x10 12 W cm -2 intensity. Valence band photoemission spectra are presented showing the changing occupancy of the Cu 3d level with heating are presented. These picosecond x-ray laser induced time-resolved photoemission spectra of laser-heated ultrathin Cu foil show dynamic changes in the electronic structure. The ultrafast nature of this technique lends itself to true single-state measurements of shocked and heated materials

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-11-01

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

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

International Nuclear Information System (INIS)

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

2014-01-01

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

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Depth profiling of marker layers using x-ray waveguide structures

International Nuclear Information System (INIS)

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

2005-01-01

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

Depth profiling of marker layers using x-ray waveguide structures

Science.gov (United States)

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

2005-08-01

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

The supersoft X-ray source in V5116 Sagittarii. I. The high resolution spectra

Science.gov (United States)

Sala, G.; Ness, J. U.; Hernanz, M.; Greiner, J.

2017-05-01

Context. Classical nova explosions occur on the surface of an accreting white dwarf in a binary system. After ejection of a fraction of the envelope and when the expanding shell becomes optically thin to X-rays, a bright source of supersoft X-rays arises, powered by residual H burning on the surface of the white dwarf. While the general picture of the nova event is well established, the details and balance of accretion and ejection processes in classical novae are still full of unknowns. The long-term balance of accreted matter is of special interest for massive accreting white dwarfs, which may be promising supernova Ia progenitor candidates. Nova V5116 Sgr 2005b was observed as a bright and variable supersoft X-ray source by XMM-Newton in March 2007, 610 days after outburst. The light curve showed a periodicity consistent with the orbital period. During one third of the orbit the luminosity was a factor of seven brighter than during the other two thirds of the orbital period. Aims: In the present work we aim to disentangle the X-ray spectral components of V5116 Sgr and their variability. Methods: We present the high resolution spectra obtained with XMM-Newton RGS and Chandra LETGS/HRC-S in March and August 2007. Results: The grating spectrum during the periods of high-flux shows a typical hot white dwarf atmosphere dominated by absorption lines of N VI and N VII. During the low-flux periods, the spectrum is dominated by an atmosphere with the same temperature as during the high-flux period, but with several emission features superimposed. Some of the emission lines are well modeled with an optically thin plasma in collisional equilibrium, rich in C and N, which also explains some excess in the spectra of the high-flux period. No velocity shifts are observed in the absorption lines, with an upper limit set by the spectral resolution of 500 km s-1, consistent with the expectation of a non-expanding atmosphere so late in the evolution of the post-nova. Based on

EMISSION LINES BETWEEN 1 AND 2 keV IN COMETARY X-RAY SPECTRA

Energy Technology Data Exchange (ETDEWEB)

Ewing, Ian; Christian, Damian J. [Department of Physics and Astronomy, California State University, 18111 Nordhoff Street, Northridge, CA 91330 (United States); Bodewits, Dennis [Department of Astronomy, University of Maryland, College Park, MD 20742 (United States); Dennerl, Konrad [Max-Planck-Institut fuer extraterrestrische Physik, Postfach 1312, D-85741 Garching Germany (Germany); Lisse, Carey M. [Planetary Exploration Group, Space Department, Johns Hopkins University Applied Physics Laboratory, 11100 Johns Hopkins Rd, Laurel, MD 20723 (United States); Wolk, Scott J., E-mail: ian.ewing.794@my.csun.edu, E-mail: daman.christian@csun.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

2013-01-20

We present the detection of new cometary X-ray emission lines in the 1.0-2.0 keV range using a sample of comets observed with the Chandra X-Ray Observatory and ACIS spectrometer. We have selected five comets from the Chandra sample with good signal-to-noise spectra. The surveyed comets are C/1999 S4 (LINEAR), C/1999 T1 (McNaught-Hartley), 153P/2002 (Ikeya-Zhang), 2P/2003 (Encke), and C/2008 8P (Tuttle). We modeled the spectra with an extended version of our solar wind charge exchange (SWCX) emission model. Above 1 keV, we find Ikeya-Zhang to have strong emission lines at 1340 and 1850 eV which we identify as being created by SWCX lines of Mg XI and Si XIII, respectively, and weaker emission lines at 1470, 1600, and 1950 eV formed by SWCX of Mg XII, Mg XI, and Si XIV, respectively. The Mg XI and XII and Si XIII and XIV lines are detected at a significant level for the other comets in our sample (LS4, MH, Encke, 8P), and these lines promise additional diagnostics to be included in SWCX models. The silicon lines in the 1700-2000 eV range are detected for all comets, but with the rising background and decreasing cometary emission, we caution that these detections need further confirmation with higher resolution instruments.

Application of energy dispersive X-ray spectrometers with semiconductor detectors in radiometric analyses

International Nuclear Information System (INIS)

Jugelt, P.; Schieckel, M.

1983-01-01

Problems and possibilities of applying semiconductor detector spectrometers in radiometric analyses are described. A summary of the state of the art and tendencies of device engineering and spectra evaluation is given. Liquid-nitrogen cooled Li-drifted Si-detectors and high-purity Ge-detectors are compared. Semiconductor detectors working at room temperature are under development. In this connection CdTe and HgI 2 semiconductor detectors are compared. The use of small efficient computers in the spectrometer systems stimulates the development of algorithms for spectra analyses and for determining the concentration. Fields of application of energy dispersive X-ray spectrometers are X-ray diffraction and X-ray macroanalysis in investigating the structure of extensive surface regions

Symbiotic Stars in X-rays

Science.gov (United States)

Luna, G. J. M.; Sokoloski, J. L.; Mukai, K.; Nelson, T.

2014-01-01

Until recently, symbiotic binary systems in which a white dwarf accretes from a red giant were thought to be mainly a soft X-ray population. Here we describe the detection with the X-ray Telescope (XRT) on the Swift satellite of 9 white dwarf symbiotics that were not previously known to be X-ray sources and one that was previously detected as a supersoft X-ray source. The 9 new X-ray detections were the result of a survey of 41 symbiotic stars, and they increase the number of symbiotic stars known to be X-ray sources by approximately 30%. Swift/XRT detected all of the new X-ray sources at energies greater than 2 keV. Their X-ray spectra are consistent with thermal emission and fall naturally into three distinct groups. The first group contains those sources with a single, highly absorbed hard component, which we identify as probably coming from an accretion-disk boundary layer. The second group is composed of those sources with a single, soft X-ray spectral component, which likely arises in a region where low-velocity shocks produce X-ray emission, i.e. a colliding-wind region. The third group consists of those sources with both hard and soft X-ray spectral components. We also find that unlike in the optical, where rapid, stochastic brightness variations from the accretion disk typically are not seen, detectable UV flickering is a common property of symbiotic stars. Supporting our physical interpretation of the two X-ray spectral components, simultaneous Swift UV photometry shows that symbiotic stars with harder X-ray emission tend to have stronger UV flickering, which is usually associated with accretion through a disk. To place these new observations in the context of previous work on X-ray emission from symbiotic stars, we modified and extended the alpha/beta/gamma classification scheme for symbiotic-star X-ray spectra that was introduced by Muerset et al. based upon observations with the ROSAT satellite, to include a new sigma classification for sources with

Correction of diagnostic x-ray spectra measured with CdTe and CdZnTe detectors

Energy Technology Data Exchange (ETDEWEB)

Matsumoto, M [Osaka Univ., Suita (Japan). Medical School; Kanamori, H; Toragaito, T; Taniguchi, A

1996-07-01

We modified the formula of stripping procedure presented by E. Di. Castor et al. We added the Compton scattering and separated K{sub {alpha}} radiation of Cd and Te (23 and 27keV, respectively). Using the new stripping procedure diagnostic x-ray spectra (object 4mm-Al) of tube voltage 50kV to 100kV for CdTe and CdZnTe detectors are corrected with comparison of those spectra for the Ge detector. The corrected spectra for CdTe and CdZnTe detectors coincide with those for Ge detector at lower tube voltage than 70kV. But the corrected spectra at higher tube voltage than 70kV do not coincide with those for Ge detector. The reason is incomplete correction for full energy peak efficiencies of real CdTe and CdZnTe detectors. (J.P.N.)

Interpretation of magnetic circular dichroism of X-ray emission spectra

International Nuclear Information System (INIS)

Takayama, Yasuhiro; Yoshida, Tetsuo; Nakamura, Satoshi; Sasaki, Naoya; Ishii, Hiroyoshi; Miyahara, Tsuneaki

2006-01-01

We have measured the dependence of the magnetic circular dichroism (MCD) of the X-ray emission spectra (XES) on the temperature and incident angle for a Gd thin film. The energy of the incident photon for the XES was 138.25eV, which corresponded to the resonant excitation to the 8 D 9/2 intermediate state. The dependence of the observed MCD on the temperature and incident angle was quite different from that of the magnetic moment estimated with a SQUID magnetometer. By considering the reflection, saturation effect, self-absorption effect and magnetic anisotropy of the thin film, the agreement of the two behaviors was considerably improved. This result shows that the revisions of the MCD of the XES are extremely important for the quantitative estimation of the magnetic moment from the MCD of the XES. (author)

Vibrational, X-ray absorption, and Mössbauer spectra of sulfate minerals from the weathered massive sulfide deposit at Iron Mountain, California

Science.gov (United States)

Majzlan, Juraj; Alpers, Charles N.; Bender Koch, Christian; McCleskey, R. Blaine; Myneni, Satish B.C.; Neil, John M.

2014-01-01

The Iron Mountain Mine Superfund site in California is a prime example of an acid mine drainage (AMD) system with well developed assemblages of sulfate minerals typical for such settings. Here we present and discuss the vibrational (infrared), X-ray absorption, and Mössbauer spectra of a number of these phases, augmented by spectra of a few synthetic sulfates related to the AMD phases. The minerals and related phases studied in this work are (in order of increasing Fe2O3/FeO): szomolnokite, rozenite, siderotil, halotrichite, römerite, voltaite, copiapite, monoclinic Fe2(SO4)3, Fe2(SO4)3·5H2O, kornelite, coquimbite, Fe(SO4)(OH), jarosite and rhomboclase. Fourier transform infrared spectra in the region 750–4000 cm−1 are presented for all studied phases. Position of the FTIR bands is discussed in terms of the vibrations of sulfate ions, hydroxyl groups, and water molecules. Sulfur K-edge X-ray absorption near-edge structure (XANES) spectra were collected for selected samples. The feature of greatest interest is a series of weak pre-edge peaks whose position is determined by the number of bridging oxygen atoms between Fe3+ octahedra and sulfate tetrahedra. Mössbauer spectra of selected samples were obtained at room temperature and 80 K for ferric minerals jarosite and rhomboclase and mixed ferric–ferrous minerals römerite, voltaite, and copiapite. Values of Fe2+/[Fe2+ + Fe3+] determined by Mössbauer spectroscopy agree well with those determined by wet chemical analysis. The data presented here can be used as standards in spectroscopic work where spectra of well-characterized compounds are required to identify complex mixtures of minerals and related phases.

ROSAT Energy Spectra of Low-Mass X-Ray Binaries

Science.gov (United States)

Schulz, N. S.

1999-01-01

The 0.1-2.4 keV bandpass of the ROSAT Position Sensitive Proportional Counter (PSPC) offers an opportunity to study the very soft X-ray continuum of bright low-mass X-ray binaries (LMXBs). In 46 pointed observations, 23 LMXBs were observed with count rates between 0.4 and 165.4 counts s-1. The survey identified a total of 29 different luminosity levels, which are compared with observations and identified spectral states from other missions. The atoll source 4U 1705-44 was observed near Eddington luminosities in an unusually high intensity state. Spectral analysis provided a measure of the interstellar column density for all 49 observations. The sensitivity of spectral fits depends strongly on column density. Fits to highly absorbed spectra are merely insensitive toward any particular spectral model. Sources with column densities well below 1022 cm-2 are best fitted by power laws, while the blackbody model gives clearly worse fits to the data. Most single-component fits from sources with low column densities, however, are not acceptable at all. The inclusion of a blackbody component in eight sources can improve the fits significantly. The obtained emission radii of less than 5 km suggest emission from the neutron star surface. In 10 sources acceptable fits can only be achieved by including soft-line components. With a spectral resolution of the PSPC of 320-450 eV, between 0.6 and 1.2 keV unresolved broad-line features were detected around 0.65, 0.85, and 1.0 keV. The line fluxes range within 10-11 and 10-12 ergs cm-2 s-1, with equivalent widths between 24 and 210 eV. In LMC X-2, 2S 0918-549, and 4U 1254-690, line emission is indicated for the first time. The soft emission observed in 4U 0614+091 compares with recent ASCA results, with a new feature indicated at 1.31 keV. The deduced line fluxes in 4U 1820-30 and Cyg X-2 showed variability of a factor of 2 within timescales of 1-2 days. Average fluxes of line components in 4U 1820-30 varied by the same factor over a

Astrophysical extended X-ray absorption fine-structure analysis

International Nuclear Information System (INIS)

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

1997-01-01

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

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

International Nuclear Information System (INIS)

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

2011-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-01-15

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

Soft X-ray spectroscopy of transition metal compounds: a theoretical perspective

International Nuclear Information System (INIS)

Bokarev, S.I.; Hilal, R.; Aziz, S.G.; Kühn, O.

2017-01-01

To date, X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we report on the development of an efficient and versatile theoretical methodology for the treatment of soft X-ray spectra of transition metal compounds based on the multi-configurational self-consistent field electronic structure theory. A special focus is put on the L-edge photon-in/photon-out and photon-in/electron-out processes, i.e. X-ray absorption, resonant inelastic scattering, partial fluorescence yield, and photoelectron spectroscopy, all treated on the same theoretical footing. The investigated systems range from small prototypical coordination compounds and catalysts to aggregates of biomolecules.

Electronic structure analysis of UO2 by X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Ozkendir, O.M.

2009-01-01

Full text: Due to the essential role of Actinides in nuclear science and technology, electronic and structural investigations of actinide compounds attract major interest in science. Electronic structure of actinide compounds have important properties due to narrow 5f states which play key role in bonding with anions. The properties of Uranium has been a subject of enduring interest due to its being a major importance as a nuclear fuel and is the highest numbered element which can be found naturally on earth. UO 2 forms as a secondary uranyl group occurred during metamictization of uranium oxide compounds [1].Uranium oxide thin films have been investigated by X-ray Absorption Fine Structure spectroscopy (XAFS) [2]. The full multiple scattering approach has been applied to the calculation of U L3 edge spectra of UO 2 . The calculations are based on different choices of one electron potentials according to Uranium coordinations by using the real space multiple scattering method FEFF 8.2 code [3,4]. U L3-edge absorption spectrum in UO 2 is compared with U L3-edges in USiO 4 and UTe which are chosen due to their different electronic and chemical structures.We have found prominent changes in the XANES spectra of Uranium oxide thin films due to valency properties. Such observed changes are explained by considering the structural, electronic and spectroscopic properties. (author)

Phase-dependent absorption features in X-ray spectra of X-ray Dim Isolated Neutron Stars

Science.gov (United States)

Borghese, A.; Rea, N.; Coti Zelati, F.; Turolla, R.; Tiengo, A.; Zane, S.

2017-12-01

A detailed phase-resolved spectroscopy of archival XMM-Newton observations of X-ray Dim Isolated Neutron Stars (XDINSs) led to the discovery of narrow and strongly phase-dependent absorption features in two of these sources. The first was discovered in the X-ray spectrum of RX J0720.4-3125, followed by a new possible candidate in RX J1308.6+2127. Both spectral lines have similar properties: they are detected for only ˜ 20% of the rotational cycle and appear to be stable over the timespan covered by the observations. We performed Monte Carlo simulations to test the significance of these phase-variable features and in both cases the outcome has confirmed the detection with a confidence level > 4.6σ. Because of the narrow width and the strong dependence on the pulsar rotational phase, the most likely interpretation for these spectral features is in terms of resonant proton cyclotron absorption scattering in a confined high-B structure close to the stellar surface. Within the framework of this interpretation, our results provide evidence for deviations from a pure dipole magnetic field on small scales for highly magnetized neutron stars and support the proposed scenario of XDINSs being aged magnetars, with a strong non-dipolar crustal B-field component.

Application of direct peak analysis to energy dispersive x-ray fluorescence spectra

International Nuclear Information System (INIS)

Nielson, K.K.

1977-07-01

A modified Covell method for direct peak analysis has been applied to energy dispersive x-ray fluorescence spectra. The method is background independent and is well-suited to computerized data reduction. It provides acceptable precision, minimizes errors from instrumental gain shift, and permits peak overlap correction. Peak overlap errors exhibit both positive and negative nodes as a function of peak separation distance, and are corrected using concentration ratios determined from thin, single-element standards. Peak precisions and overlaps are evaluated as a function of window width to aid in width selection. Least-square polynomial smoothing prior to peak analysis significantly improves peak area precisions without significantly affecting their accuracies

Finite difference method calculations of X-ray absorption fine structure for copper

Energy Technology Data Exchange (ETDEWEB)

Bourke, J.D. [School of Physics, University of Melbourne, Parkville, Vic 3010 (Australia); Chantler, C.T. [School of Physics, University of Melbourne, Parkville, Vic 3010 (Australia)]. E-mail: chantler@physics.unimelb.edu.au; Witte, C. [School of Physics, University of Melbourne, Parkville, Vic 3010 (Australia)

2007-01-15

The finite difference method is extended to calculate X-ray absorption fine structure (XAFS) for solid state copper. These extensions include the incorporation of a Monte Carlo frozen phonon technique to simulate the effect of thermal vibrations under a correlated Debye-Waller model, and the inclusion of broadening effects from inelastic processes. Spectra are obtained over an energy range in excess of 300 eV above the K absorption edge-more than twice the greatest energy range previously reported for a solid state calculation using this method. We find this method is highly sensitive to values of the photoelectron inelastic mean free path, allowing us to probe the accuracy of current models of this parameter, particularly at low energies. We therefore find that experimental data for the photoelectron inelastic mean free path can be obtained by this method. Our results compare favourably with high precision measurements of the X-ray mass attenuation coefficient for copper, reaching agreement to within 3%, and improving previous results using the finite difference method by an order of magnitude.

Comparative Analysis and Variability of the Jovian X-Ray Spectra Detected by the Chandra and XMM-Newton Observatories

Energy Technology Data Exchange (ETDEWEB)

Hui, Yawei [ORNL; Schultz, David Robert [ORNL; Kharchenko, Vasili A [ORNL; Bhardwaj, Anil [Vikram Sarabhai Space Center, Trivandrum, India; Branduardi-Raymont, Graziella [University College, London; Stancil, Phillip C. [University of Georgia, Athens, GA; Cravens, Thomas E. E. [University of Kansas; Lisse, Carey M. [Johns Hopkins University; Dalgarno, A. [Harvard-Smithsonian Center for Astrophysics

2010-01-01

Expanding upon recent work, a more comprehensive spectral model based on charge exchange induced X-ray emission by ions precipitating into the Jovian atmosphere is used to provide new understanding of the polar auroras. In conjunction with the Xspec spectral fitting software, the model is applied to analyze observations from both Chandra and XMM-Newton by systematically varying the initial precipitating ion parameters to obtain the best fit model for the observed spectra. In addition to the oxygen and sulfur ions considered previously, carbon is included to discriminate between solar wind and Jovian magnetospheric ion origins, enabled by the use of extensive databases of both atomic collision cross sections and radiative transitions. On the basis of fits to all the Chandra observations, we find that carbon contributes negligibly to the observed polar X-ray emission suggesting that the highly accelerated precipitating ions are of magnetospheric origin. Most of the XMM-Newton fits also favor this conclusion with one exception that implies a possible carbon contribution. Comparison among all the spectra from these two observatories in light of the inferred initial energies and relative abundances of precipitating ions from the modeling show that they are significantly variable in time (observation date) and space (north and south polar X-ray auroras).

Solar Coronal Events with Extended Hard X-ray and Gamma-ray Emission

Science.gov (United States)

Hudson, H. S.

2017-12-01

A characteristic pattern of solar hard X-ray emission, first identified in SOL1969-03-31 by Frost & Dennis (1971) now has been linked to prolonged high-energy gamma-ray emission detected by the Fermi/LAT experiment, for example in SOL2014-09-01. The distinctive features of these events include flat hard X-ray spectra extending well above 100 keV, a characteristic pattern of time development, low-frequency gyrosynchrotron peaks, CME association, and gamma-rays identifiable with pion decay originating in GeV ions. The identification of these events with otherwise known solar structures nevertheless remains elusive, in spite of the wealth of imagery available from AIA. The quandary is that these events have a clear association with CMEs in the high corona, and yet the gamma-ray production implicates the photosphere itself. The vanishingly small loss cone in the nominal acceleration region makes this extremely difficult. I propose direct inward advection of a part of the SEP particle population, as created on closed field structures, as a possible resolution of this puzzle, and note that this requires retracting magnetic structures on long time scales following the flare itself.

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

Science.gov (United States)

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

2008-04-01

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

Relationship between ferroelectric properties and local structure of Pb{sub 1−x}Ba{sub x}Zr{sub 0.40}Ti{sub 0.60}O{sub 3} ceramic materials studied by X-ray absorption and Raman spectroscopies

Energy Technology Data Exchange (ETDEWEB)

Mesquita, Alexandre, E-mail: mesquita@rc.unesp.br [Instituto de Geociências e Ciências Exatas, UNESP – Univ Estadual Paulista, Departamento de Física, Av. 24-a, 1515, Rio Claro, SP 13506-900 (Brazil); Institut de Chimie et des Materiaux Paris Est, CNRS and Université Paris Est Créteil, 2 Rue Henri Dunant, 94320 Thiais (France); Instituto de Física de São Carlos, Universidade de São Paulo, Av. Trabalhador São-Carlense, 400, São Carlos, SP (Brazil); Michalowicz, Alain, E-mail: michalov@u-pec.fr [Institut de Chimie et des Materiaux Paris Est, CNRS and Université Paris Est Créteil, 2 Rue Henri Dunant, 94320 Thiais (France); Moscovici, Jacques, E-mail: moscovic@u-pec.fr [Institut de Chimie et des Materiaux Paris Est, CNRS and Université Paris Est Créteil, 2 Rue Henri Dunant, 94320 Thiais (France); Pizani, Paulo Sergio, E-mail: pizani@df.ufscar.br [Departamento de Física, Universidade Federal de São Carlos, Rodovia Washington Luís, s/n, São Carlos, SP, 13565-905 (Brazil); Mastelaro, Valmor Roberto, E-mail: valmor@ifsc.usp.br [Instituto de Física de São Carlos, Universidade de São Paulo, Av. Trabalhador São-Carlense, 400, São Carlos, SP (Brazil)

2016-08-15

This paper reports on the structural characterization of Pb{sub 1−x}Ba{sub x}Zr{sub 0.40}Ti{sub 0.60}O{sub 3} (PBZT) ferroelectric ceramic compositions prepared by the conventional solid state reaction method. X-ray absorption spectroscopy (XAS) and Raman spectroscopy were used in the probing of the local structure of PBZT samples that exhibit a normal or relaxor ferroelectric behavior. They showed a considerable local disorder around Zr and Pb atoms in the samples of tetragonal or cubic long-range order symmetry. The intensity of the E(TO{sub 3}) mode in the Raman spectra of PBZT relaxor samples remains constant at temperatures lower than T{sub m}, which has proven the stabilization of the correlation process between nanodomains. - Graphical abstract: X-ray absorption measurements showed considerable local disorder around Zr and Pb atoms in the samples of tetragonal or cubic long-range order symmetry. The intensity of the E(TO{sub 3}) mode in the Raman spectra of PBZT relaxor samples remains constant at temperatures lower than T{sub m}, which has proven the stabilization of the correlation process between nanodomains. Display Omitted - Highlights: • Structural characterization of Pb{sub 1−x}Ba{sub x}Zr{sub 0.40}Ti{sub 0.60}O{sub 3} (PBZT) ferroelectric ceramic. • X-ray absorption and Raman spectroscopies were used to probe the structure of PBZT. • Dissymmetry of Zr and Pb sites was observed in samples long-range cubic symmetry. • Local disorder in all PBZT samples through the observation of Raman active modes.

Determining misorientation of graphite grains from the angular dependence of X-ray emission spectra

International Nuclear Information System (INIS)

Belavin, V. V.; Okotrub, A. V.; Bulusheva, L. G.; Kotosonov, A. S.; Vyalykh, D. V.; Molodtsov, S. L.

2006-01-01

Angular-resolved X-ray absorption spectra were measured for pyrolytic graphite samples of various quality. A new approach to determining the misorientation of graphite grains in polycrystalline samples is proposed, which is based on calculations of the angular dependence of the relative intensity of a peak corresponding to the π* state for a normal distribution of grains. The experimental values are used to construct theoretical angular dependences using partial densities of the π* and σ* states determined from the nonempirical calculations for graphite

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...

X-ray beam qualities for dental radiology purposes

International Nuclear Information System (INIS)

Santos, Marcus Aurelio P. dos; Fragoso, Maria da Conceicao de F.; Lima, Ricardo de A.; Hazim, Clovis A.

2009-01-01

In order to establish characteristics or properties of equipment for diagnostic radiology, e.g. ion chambers and semiconductor detectors, calibration laboratories offer a set of well-defined radiation conditions, called X-ray qualities, which can be used for many Physics studies and medical purposes. The standardization of radiation qualities has been carried out in several fields of study, but little attention has been given to the area of dental radiology, mainly for medical and physical applications using single-phase units with half-wave rectification. For this reason, a single-phase dental unit with adjustable peak voltage and tube current, called 'variable potential X-ray equipment', was developed aiming to define X-ray beam qualities for test and calibrations purposes. X-ray spectra at 50, 60 and 70 kVp were determined by using a CdTe detector and compared with those obtained for ten commercial X-ray dental units. As a result of this study, a set of X-ray qualities for the variable potential X-ray equipment was determined. The X-ray qualities spectra were utilized as reference for determination of a new set of X-ray qualities characterized for a constant potential X-ray equipment. Thus, sets of X-ray qualities were standardized and implemented in two X-ray laboratories: one with the variable potential X-ray equipment and other with constant potential X-ray equipment. These reference X-ray beam qualities should be used for test and calibration purposes involving scientific studies and services. (author)

Structure of polysaccharide and structural analysis by x-ray

International Nuclear Information System (INIS)

Yuguchi, Yoshiaki

2010-01-01

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

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

DEFF Research Database (Denmark)

Yennawar, Hemant; Møller, Magda; Gillilan, Richard

2011-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-05-23

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

Diffraction anomalous fine structure using X-ray anomalous dispersion

International Nuclear Information System (INIS)

Soejima, Yuji; Kuwajima, Shuichiro

1998-01-01

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

Time-resolved suprathermal x-rays

International Nuclear Information System (INIS)

Lee, P.H.Y.; Rosen, M.D.

1978-01-01

Temporally resolved x-ray spectra in the range of 1 to 20 keV have been obtained from gold disk targets irradiated by 1.06 μm laser pulses from the Argus facility. The x-ray streak camera used for the measurement has been calibrated for streak speed and dynamic range by using an air-gap Fabry-Perot etalon, and the instrument response has been calibrated using a multi-range monoenergetic x-ray source. The experimental results indicate that we are able to observe the ''hot'' x-ray temperature evolve in time and that the experimentally observed values can be qualitatively predicted by LASNEX code computations when the inhibited transport model is used

Quantitative schemes in energy dispersive X-ray fluorescence implemented in AXIL

International Nuclear Information System (INIS)

Tchantchane, A.; Benamar, M.A.; Tobbeche, S.

1995-01-01

E.D.X.R.F (Energy Dispersive X-ray Fluorescence) has long been used for quantitative analysis of many types of samples including environment samples. the software package AXIL (Analysis of x-ray spectra by iterative least quares) is extensively used for the spectra analysis and the quantification of x-ray spectra. It includes several methods of quantitative schemes for evaluating element concentrations. We present the general theory behind each scheme implemented into the software package. The spectra of the performance of each of these quantitative schemes. We have also investigated their performance relative to the uncertainties in the experimental parameters and sample description

Structural enzymology using X-ray free electron lasers

Directory of Open Access Journals (Sweden)

Christopher Kupitz

2017-07-01

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

Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source

DEFF Research Database (Denmark)

Chen, Lin X; Shelby, Megan L; Lestrange, Patrick J

2016-01-01

This report will describe our recent studies of transition metal complex structural dynamics on the fs and ps time scales using an X-ray free electron laser source, Linac Coherent Light Source (LCLS). Ultrafast XANES spectra at the Ni K-edge of nickel(ii) tetramesitylporphyrin (NiTMP) were measured...... on the low-energy shoulder of the edge, which is aided by the computation of X-ray transitions for postulated excited electronic states. The observed and computed inner shell to valence orbital transition energies demonstrate and quantify the influence of the electronic configuration on specific metal...

Correcting X-ray spectra obtained from the AXAF VETA-I mirror calibration for pileup, continuum, background and deadtime

Science.gov (United States)

Chartas, G.; Flanagan, K.; Hughes, J. P.; Kellogg, E. M.; Nguyen, D.; Zombek, M.; Joy, M.; Kolodziejezak, J.

1993-01-01

The VETA-I mirror was calibrated with the use of a collimated soft X-ray source produced by electron bombardment of various anode materials. The FWHM, effective area and encircled energy were measured with the use of proportional counters that were scanned with a set of circular apertures. The pulsers from the proportional counters were sent through a multichannel analyzer that produced a pulse height spectrum. In order to characterize the properties of the mirror at different discrete photon energies one desires to extract from the pulse height distribution only those photons that originated from the characteristic line emission of the X-ray target source. We have developed a code that fits a modeled spectrum to the observed X-ray data, extracts the counts that originated from the line emission, and estimates the error in these counts. The function that is fitted to the X-ray spectra includes a Prescott function for the resolution of the detector a second Prescott function for a pileup peak and a X-ray continuum function. The continuum component is determined by calculating the absorption of the target Bremsstrahlung through various filters, correcting for the reflectivity of the mirror and convolving with the detector response.

Serial data acquisition for the X-ray plasma diagnostics with selected GEM detector structures

Science.gov (United States)

Czarski, T.; Chernyshova, M.; Pozniak, K. T.; Kasprowicz, G.; Zabolotny, W.; Kolasinski, P.; Krawczyk, R.; Wojenski, A.; Zienkiewicz, P.

2015-10-01

The measurement system based on GEM—Gas Electron Multiplier detector is developed for X-ray diagnostics of magnetic confinement tokamak plasmas. The paper is focused on the measurement subject and describes the fundamental data processing to obtain reliable characteristics (histograms) useful for physicists. The required data processing have two steps: 1—processing in the time domain, i.e. events selections for bunches of coinciding clusters, 2—processing in the planar space domain, i.e. cluster identification for the given detector structure. So, it is the software part of the project between the electronic hardware and physics applications. The whole project is original and it was developed by the paper authors. The previous version based on 1-D GEM detector was applied for the high-resolution X-ray crystal spectrometer KX1 in the JET tokamak. The current version considers 2-D detector structures for the new data acquisition system. The fast and accurate mode of data acquisition implemented in the hardware in real time can be applied for the dynamic plasma diagnostics. Several detector structures with single-pixel sensors and multi-pixel (directional) sensors are considered for two-dimensional X-ray imaging. Final data processing is presented by histograms for selected range of position, time interval and cluster charge values. Exemplary radiation source properties are measured by the basic cumulative characteristics: the cluster position distribution and cluster charge value distribution corresponding to the energy spectra. A shorter version of this contribution is due to be published in PoS at: 1st EPS conference on Plasma Diagnostics

Serial data acquisition for the X-ray plasma diagnostics with selected GEM detector structures

International Nuclear Information System (INIS)

Czarski, T.; Chernyshova, M.; Pozniak, K.T.; Kasprowicz, G.; Zabolotny, W.; Kolasinski, P.; Krawczyk, R.; Wojenski, A.; Zienkiewicz, P.

2015-01-01

The measurement system based on GEM—Gas Electron Multiplier detector is developed for X-ray diagnostics of magnetic confinement tokamak plasmas. The paper is focused on the measurement subject and describes the fundamental data processing to obtain reliable characteristics (histograms) useful for physicists. The required data processing have two steps: 1—processing in the time domain, i.e. events selections for bunches of coinciding clusters, 2—processing in the planar space domain, i.e. cluster identification for the given detector structure. So, it is the software part of the project between the electronic hardware and physics applications. The whole project is original and it was developed by the paper authors. The previous version based on 1-D GEM detector was applied for the high-resolution X-ray crystal spectrometer KX1 in the JET tokamak. The current version considers 2-D detector structures for the new data acquisition system. The fast and accurate mode of data acquisition implemented in the hardware in real time can be applied for the dynamic plasma diagnostics. Several detector structures with single-pixel sensors and multi-pixel (directional) sensors are considered for two-dimensional X-ray imaging. Final data processing is presented by histograms for selected range of position, time interval and cluster charge values. Exemplary radiation source properties are measured by the basic cumulative characteristics: the cluster position distribution and cluster charge value distribution corresponding to the energy spectra. A shorter version of this contribution is due to be published in PoS at: 1 st EPS conference on Plasma Diagnostics

Structure, spectra and phase transition in p-nitroanilinium perchlorate crystal

Energy Technology Data Exchange (ETDEWEB)

Marchewka, M.K.; Drozd, M.; Pietraszko, A

2003-07-25

The first X-ray diffraction and vibrational spectroscopic analysis of a novel complex between p-nitroaniline and perchloric acid is reported. The structure was solved in 295 K. Room temperature powder infrared and Raman measurements for the p-nitroanilinium perchlorate (1:1) crystals were carried out. The vibrational spectra in the region of internal vibrations of ions corroborates the X-ray data which show that p-nitroaniline molecule is monoprotonated. DSC measurements on powder sample indicate the phase transition point at about 213 and 208 K for heating and cooling, respectively. No detectable signal was observed during powder test for second harmonic generation.

Thin Film Structure of Tetraceno(2,3-B)thiophene Characterized By Grazing Incidence X-Ray Scattering And Near-Edge X-Ray Absorption Fine Structure Analysis

International Nuclear Information System (INIS)

Yuan, Q.; Mannsfeld, S.C.B.; Tang, M.L.; Toney, M.F.; Luening, J.; Bao, Z.A.

2008-01-01

Understanding the structure-property relationship for organic semiconductors is crucial in rational molecular design and organic thin film process control. Charge carrier transport in organic field-effect transistors predominantly occurs in a few semiconductor layers close to the interface in contact with the dielectric layer, and the transport properties depend sensitively on the precise molecular packing. Therefore, a better understanding of the impact of molecular packing and thin film morphology in the first few monolayers above the dielectric layer on charge transport is needed to improve the transistor performance. In this Article, we show that the detailed molecular packing in thin organic semiconductor films can be solved through a combination of grazing incidence X-ray diffraction (GIXD), near-edge X-ray absorption spectra fine structure (NEXAFS) spectroscopy, energy minimization packing calculations, and structure refinement of the diffraction data. We solve the thin film structure for 2 and 20 nm thick films of tetraceno(2,3-b)thiophene and detect only a single phase for these thicknesses. The GIXD yields accurate unit cell dimensions, while the precise molecular arrangement in the unit cell was found from the energy minimization and structure refinement; the NEXAFS yields a consistent molecular tilt. For the 20 nm film, the unit cell is triclinic with a = 5.96 A, b = 7.71 A, c = 15.16 A, alpha = 97.30 degrees, beta = 95.63 degrees, gamma = 90 degrees; there are two molecules per unit cell with herringbone packing (49-59 degree angle) and tilted about 7 degrees from the substrate normal. The thin film structure is significantly different from the bulk single-crystal structure, indicating the importance of characterizing thin film to correlate with thin film device performance. The results are compared to the corresponding data for the chemically similar and widely used pentacene. Possible effects of the observed thin film structure and morphology on

Determination of Al concentration in Al doped ZnO using Auger spectra excited by Mo X-rays

International Nuclear Information System (INIS)

Toth, J.; Koever, L.; Cserny, I.; Varga, D.

2006-01-01

Complete text of publication follows. A good conductor with excellent transparency is of crucial importance for the window layer of CIGS solar cells. Al doped ZnO is a good candidate for this purpose, its conductivity depends on the concentration and chemical state of the Al dopant atoms. It was demonstrated that the non-conventional XPS using Mo X-rays for excitation is a very sensitive tool for the detection of Al, P, Si [1, 2, 3]. The present paper compares the experimental ratios for Zn/Al photoinduced peak intensity ratios obtained using both Al and Mo X-ray excitations. The Mo excited Zn/Al intensity ratios can be determined with higher selectivity and sensitivity than the Zn/Al intensity ratios excited by Al X-rays. The experiments were performed with a hemispherical deflector electron spectrometer [4]. The chemical state of the Al was identified to be close to that in Al 2 O 3 . The atomic concentrations were determined using a calibration curve based on ZnO/Al samples with known composition of Al. The energy dependent efficiency of the electron spectrometer was determined comparing REELS spectra of Cu specimen to standard spectra measured by K. Goto (Nagoya Institute of Technology, Japan). For evaluation of the Al atomic concentrations from the measured photoelectron intensities the photoionisation cross-sections of Band et al [5] and the IMFP data of S. Tanuma et al [6] and C.J. Powell and A. Jablonski [7] were used. (author)

Bone structure investigation using X-ray and neutron radiography techniques

International Nuclear Information System (INIS)

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

2008-01-01

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

Bone structure investigation using X-ray and neutron radiography techniques

Energy Technology Data Exchange (ETDEWEB)

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

2008-01-15

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

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra.

Science.gov (United States)

Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

2016-02-15

The restricted active-space (RAS) approach can accurately simulate metal L-edge X-ray absorption spectra of first-row transition metal complexes without the use of any fitting parameters. These characteristics provide a unique capability to identify unknown chemical species and to analyze their electronic structure. To find the best balance between cost and accuracy, the sensitivity of the simulated spectra with respect to the method variables has been tested for two models, [FeCl6 ](3-) and [Fe(CN)6 ](3-) . For these systems, the reference calculations give deviations, when compared with experiment, of ≤1 eV in peak positions, ≤30% for the relative intensity of major peaks, and ≤50% for minor peaks. When compared with these deviations, the simulated spectra are sensitive to the number of final states, the inclusion of dynamical correlation, and the ionization potential electron affinity shift, in addition to the selection of the active space. The spectra are less sensitive to the quality of the basis set and even a double-ζ basis gives reasonable results. The inclusion of dynamical correlation through second-order perturbation theory can be done efficiently using the state-specific formalism without correlating the core orbitals. Although these observations are not directly transferable to other systems, they can, together with a cost analysis, aid in the design of RAS models and help to extend the use of this powerful approach to a wider range of transition metal systems. © 2015 Wiley Periodicals, Inc.

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

International Nuclear Information System (INIS)

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

2008-01-01

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

Spectra of γ-rays from capture of 2 eV to 9 x 104 eV neutrons by 181Ta

International Nuclear Information System (INIS)

Stelts, M.L.

Using new experimental techniques, the spectra of γ-rays from the capture of neutrons by 181 Ta were measured at the Livermore 100-MeV linac for neutrons from 2 eV to 9 x 10 4 eV with a (Ge(Li)-NaI) three-crystal spectrometer. Individual primary γ-ray lines were resolved to 1778-keV excitation in 182 Ta. Neutron resonances were resolved to 200-eV neutron energy. Data analysis techniques and codes were developed to extract positions and intensities of resolved transitions from the large data matrices accumulated in this experiment. Techniques were developed to unfold the unresolved γ-ray spectra using the simple response of the three-crystal spectrometer. The resolved transition data were used to place 110 states with spin and parity assignments in the 182 Ta level diagram below 1780-keV excitation. A set of 1240 E1 transition strengths were analyzed to extract 1.38 +- 0.11 degrees of freedom for the most likely chisquared fit to the distribution of widths. The E1 strength function was extracted for E/sub gamma/ = 4 to 6 MeV and compared with previous results. The γ-ray spectra for E/sub gamma/ = 1.5 to 6.1 MeV were unfolded for neutron energy groups between 20 and 9 x 10 4 eV. Below 5-MeV γ-ray energy no dependence of the spectral shape on neu []ron energy was observed. (30 figures, 4 tables) (auth)

Spectral and imaging characterization of tabletop X-ray lasers

Energy Technology Data Exchange (ETDEWEB)

Dunn, J.; Osterheld, A.L.; Moon, S.J.; Fournier, K.B.; Nilsen, J. [Lawrence Livermore National Lab., CA (United States); Faenov, A.Ya.; Pikuz, T.A.; Skobelev, I.Yu.; Magunov, A.I. [Lawrence Livermore National Lab., CA (United States); MISDC of VNIIFTRI, Mendeleevo (Russian Federation); Shlyaptsev, V.N. [Lawrence Livermore National Lab., CA (United States); California Univ., Davis, CA (United States). DAS

2001-07-01

We have performed L-shell spectroscopy and one-dimensional (1-D) imaging of a line focus plasma from a laser-heated Fe polished slab using the tabletop COMET laser system at the Lawrence Livermore National Laboratory. These plasmas are used to generate a Ne-like Fe transient gain X-ray laser that is recorded simultaneously. A spherically-curved crystal spectrometer gives high resolution X-ray spectra of the n=3-2 and n=4-2 resonance lines with 1-D spatial resolution along the line focus. Spectra are presented for different laser pulse conditions. In addition, a variety of X-ray imaging techniques are described. We discuss imaging results from a double-slit X-ray camera with a spherically-curved crystal spectrometer. We show a high resolution Fe K-{alpha} spectrum from the X-ray laser target that indicates the presence of hot electrons in the X-ray laser plasma. (orig.)

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

International Nuclear Information System (INIS)

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

2006-01-01

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

Singularities in x-ray spectra of metals

International Nuclear Information System (INIS)

Mahan, G.D.

1987-08-01

The x-ray spectroscopies discussed are absorption, emission, and photoemission. The singularities show up in each of them in a different manner. In absorption and emission they show up as power law singularities at the thresholds frequencies. This review will emphasize two themes. First a simple model is proposed to describe this phenomena, which is now called the MND model after MAHAN-NOZIERES-DeDOMINICIS. Exact analytical solutions are now available for this model for the three spectroscopies discussed above. These analytical models can be evaluated numerically in a simple way. The second theme of this review is that great care must be used when comparing the theory to experiment. A number of factors influence the edge shapes in x-ray spectroscopy. The edge singularities play an important role, and are observed in many matals. Quantitative fits of the theory to experiment require the consideration of other factors. 51 refs

Indirect measure of X-rays spectra using TLDs; Medicion indirecta de espectros de rayos X utilizando TLDs

Energy Technology Data Exchange (ETDEWEB)

Bonzi, E. V.; Mainardi, R. T. [Universidad Nacional de Cordoba, Facultad de Matematica, Astronomia y Fisica, Av. Haya de la Torre y Av. Medina Allende s/n, Ciudad Universitaria, X5016LEA Cordoba (Argentina)

2011-10-15

A methodology of indirect measure of X-rays spectra, emitted by conventional tubes, was developed recently and its feasibility verified in the first place by Monte Carlo simulations. For that case is intended to measure, by means of plastic scintillators, attenuation curves of dispersed beams previously. In this work were carried out measurements of attenuation curves with thermoluminescent dosimeters (TLD) to verify the kindness of the indirect measure method. The attenuation curve was also measured using an ionization chamber brand Capintec (model 192) with the purpose of making a comparison. The results of the attenuation curve measured with both dosimeters present a good resolution inside the statistical fluctuations and the spectral reconstruction using diverse parametric functions is carried out in a quick and simple way with excellent resolutions in the functional form. For this reconstruction method are of fundamental importance the following properties of the used dosimeter: in the first place the repetition of the measures, property that could check; in second place the precision of the measured data and lastly the dosimeter response, this is, the increase of the thermoluminescent signal before an increase of the photons flow of X-rays. This parameter is the gradient of the curve thermoluminescent signal versus the dose imparted to the dosimeter. The measures were realized with a generator of X-rays brand Kevex provided of a conventional tube with tungsten anti cathode that polarizes with high tension to a maximum value of 50 kV and current of 0.5 ma. (Author)

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

International Nuclear Information System (INIS)

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

2010-01-01

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

Structure of Co-Doped Alq3 thin films investigated by grazing incidence X-ray absorption fine structure and Fourier transform infrared spectroscopy.

Science.gov (United States)

Lin, Liang; Pang, Zhiyong; Fang, Shaojie; Wang, Fenggong; Song, Shumei; Huang, Yuying; Wei, Xiangjun; Yu, Haisheng; Han, Shenghao

2011-02-10

The structural properties of Co-doped tris(8-hydroxyquinoline)aluminum (Alq(3)) have been studied by grazing incidence X-ray absorption fine structure (GIXAFS) and Fourier transform infrared spectroscopy (FTIR). GIXAFS analysis suggests that there are multivalent Co-Alq(3) complexes and the doped Co atoms tend to locate at the attraction center with respect to N and O atoms and bond with them. The FTIR spectra indicate that the Co atoms interact with the meridional (mer) isomer of Alq(3) rather than forming inorganic compounds.

X-ray studies of BL Lacertae objects

International Nuclear Information System (INIS)

Madejski, G.M.

1986-01-01

This thesis presents spectral x-ray data for BL Lac objects observed by the IPC and MPC aboard the Einstein Observatory and interprets that data in a context of their overall radiation spectra using synchrotron and synchrotron self-Compton models. The objects considered are: OJ 287, PKS 0735 + 178, I Zw 186, PKS 0548-322, Mkn 180, BL Lacertae, PKS 2155-304, H 0414-009 and H 0323 + 022. X-ray spectra of BL Lac objects are well described by a power law model with a low energy cutoff due to absorption within the own Galaxy. The best fit values of the energy spectral index α in the IPC (0.2-4.0 keV) band range from 0.73 to 2.35, with a mean of 1.2 and rms spread of 0.51. No single, universal index can fit the spectra of all objects. For all objects except PKS 0735 + 178, the x-ray spectrum is an extrapolation of the infrared/optical UV spectrum; in PKS 0735 + 178, the x-ray spectrum lies significantly below such an extrapolation. The overall electromagnetic distribution in those objects is interpreted as arising due to the synchrotron process in at least two spatial regions, with sizes respectively ∼10 18 cm for the radio component and ∼10 16 cm for the optical component. In objects where the x-ray spectrum lies on the extrapolation of the infrared-optical-ultraviolet spectrum, the x-ray emission is interpreted also to be due to the synchrotron process

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

Science.gov (United States)

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

2015-04-14

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

X-ray absorption edges and E.X.A.F.S.: application to the study of electronic and atomic structures of titanium and vanadium carbides TiC(1-x) and VC(1-x)

International Nuclear Information System (INIS)

Moisy-Maurice, Virginie.

1980-09-01

This text presents a systematic study of the X-ray absorption fine structures evolution, at the K edge of titanium, with vacancy concentration in TiC(1-x). The absorption edges are situated in the 50 eV following the coefficient discontinuity: from the evaluation of their general aspect, it is deduced that the positive charge of titanium atoms decreases when vacancy concentration increases in TiC(1-x). This allowed us to determine the best band structure calculation model. The interpretation of EXAFS spectra (modulation of the absorption coefficient until 1500 eV above the edge) gives indications about the local atomic structure. Here, the contraction of the average titanium-carbon interatomic distances compared to the distances between crystallographic sites is of the order of the experimental resolution 0.02 A for Ti C(0.8). The study of the damping of the spectra in terms of Debye-Waller factors gave an evaluation of the relative static atomic mean square displacements between first neighbours. Last, it has been established that the disordering of vacancies in the order-disorder transition of V 8 C 7 is an atomic scale phenomenon [fr

Resonant inelastic x-ray scattering studies of elementary excitations

NARCIS (Netherlands)

Ament, Lucas Johannes Peter (Luuk)

2010-01-01

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

Soft X-Ray Observations of a Complete Sample of X-Ray--selected BL Lacertae Objects

Science.gov (United States)

Perlman, Eric S.; Stocke, John T.; Wang, Q. Daniel; Morris, Simon L.

1996-01-01

We present the results of ROSAT PSPC observations of the X-ray selected BL Lacertae objects (XBLs) in the complete Einstein Extended Medium Sensitivity Survey (EM MS) sample. None of the objects is resolved in their respective PSPC images, but all are easily detected. All BL Lac objects in this sample are well-fitted by single power laws. Their X-ray spectra exhibit a variety of spectral slopes, with best-fit energy power-law spectral indices between α = 0.5-2.3. The PSPC spectra of this sample are slightly steeper than those typical of flat ratio-spectrum quasars. Because almost all of the individual PSPC spectral indices are equal to or slightly steeper than the overall optical to X-ray spectral indices for these same objects, we infer that BL Lac soft X-ray continua are dominated by steep-spectrum synchrotron radiation from a broad X-ray jet, rather than flat-spectrum inverse Compton radiation linked to the narrower radio/millimeter jet. The softness of the X-ray spectra of these XBLs revives the possibility proposed by Guilbert, Fabian, & McCray (1983) that BL Lac objects are lineless because the circumnuclear gas cannot be heated sufficiently to permit two stable gas phases, the cooler of which would comprise the broad emission-line clouds. Because unified schemes predict that hard self-Compton radiation is beamed only into a small solid angle in BL Lac objects, the steep-spectrum synchrotron tail controls the temperature of the circumnuclear gas at r ≤ 1018 cm and prevents broad-line cloud formation. We use these new ROSAT data to recalculate the X-ray luminosity function and cosmological evolution of the complete EMSS sample by determining accurate K-corrections for the sample and estimating the effects of variability and the possibility of incompleteness in the sample. Our analysis confirms that XBLs are evolving "negatively," opposite in sense to quasars, with Ve/Va = 0.331±0.060. The statistically significant difference between the values for X-ray

Natural widths and Coster-Kronig transitions of L X-ray spectra in elements between Pd and Sb

International Nuclear Information System (INIS)

Sakakura, Shusuke; Oohashi, Hirofumi; Ito, Yoshiaki; Tochio, Tatsunori; Vlaicu, Aurel M.; Yoshikawa, Hideki; Ikenaga, Eiji; Kobayashi, Keisuke

2006-01-01

The Lα and Lβ X-ray emission spectra in the elements between Pd (Z=46) and Sb (Z=51) were measured using a high-resolution double-crystal vacuum spectrometer. The relative intensities of satellite structures, which originate in L 1 L 3 M 4,5 Coster-Kronig transitions, were estimated to that of each diagram line, and compared with calculated values. According to the work of Chen et al. [1977a. Theoretical L-shell Coster-Kronig energies 11≤Z≤103. At. Data Nucl. Data Tables 19, 97-151], Salgueiro et al. [1987. J. Phys. (Paris) 48 Colloq. C9, 609] and Vlaicu et al. [1998. Investigation of the 74W L emission spectra and satellites. Phys. Rev. A 58, 3544] L 1 L 3 M 4 Coster-Kronig transition is forbidden for 50≤Z≤77, and L 1 L 3 M 5 Coster-Kronig transition is forbidden for 50≤Z≤73. The results suggest that L 1 L 3 M 4,5 Coster-Kronig transitions may be allowed even for Sn (Z=50) and Sb (Z=51)

High-resolution x-ray spectroscopy of coherent bremsstrahlung fine structure

International Nuclear Information System (INIS)

Lund, M.W.

1989-01-01

The aim of this research was to provide experimental evidence for fine structure due to umklapp by distinct reciprocal lattice vectors in coherent bremsstrahlung spectra. The spontaneous emission of photons by relativistic electrons transversing thin crystals is made possible by recoil of the crystal, which absorbs momentum in multiples of ℎG where G is a reciprocal lattice vector. Previous work in the MeV-GeV beam energy range used detectors whose energy resolution was greater than 10%. By fitting a Johann wavelength dispersive spectrometer to a transmission electron microscope the author obtained coherent bremsstrahlung spectra of very high quality with energy resolution of 1%. Important to this result were also the fine angular collimation, small energy width of the electron beam in the microscope, and the accurate control of crystal orientation possible in a modern goniometer stage. The theory of the design of bent crystal x-ray spectrometers is extended to include effects of defocus and aberrations. The theory for diffraction from a stationary three dimensional grating due to a dipole radiator moving at relativistic speeds is derived as well as several other broadening mechanisms stemming from experimental variables. This dissertation provides the first experimental observations and corresponding theoretical background for the fine structure of coherent bremsstrahlung due to umklapp by different G-vectors in the same reciprocal lattice plane

Charge exchange recombination in X-ray spectra of He-like argon measured at the tokamak TEXTOR

Energy Technology Data Exchange (ETDEWEB)

Schlummer, Tobias

2014-06-16

Charge exchange recombination between ions and atomic hydrogen is an important atomic process in magnetically confined fusion plasmas. Besides radiative cooling of the plasma edge, charge exchange causes modifications of the ionization balance and the population densities of excited ion states. The central goal of this work is to investigate the influence of charge exchange on X-ray spectra measured at the tokamak TEXTOR. A new 2D X-ray spectrometer developed for future use at the stellarator W7-X was recently installed at TEXTOR. The spectrometer is optimized for measuring the K{sub α}-spectrum of He-like argon (1s2l - 1s{sup 2}) at wavelengths close to 4 Aa. K{sub α}-spectroscopy on He-like impurity ions is an established diagnostic for electron and ion temperature measurements in fusion plasmas. Still, up to now the observed intensity ratios of the K{sub α}-lines and their associated satellites are not fully understood. They show significant deviations from the predictions made by basic corona models. In the past charge exchange with the neutral particle background and radial impurity transport have been discussed as likely explanations. Yet a detailed description of the experimental spectra still has not been achieved. To reconstruct the 2D K{sub α}-spectra measured at TEXTOR the radial argon ion distribution is modeled using an impurity transport code. The model accounts for charge exchange and transport on basis of given radial profiles of the neutral particle density n{sub 0}(r) and the diffusion coefficient D {sub perpendicular} {sub to} (r). The theoretical spectrum is then constructed based on the processes relevant for line emission. Within an iterative procedure n{sub 0}(r) and D {sub perpendicular} {sub to} (r) are varied until consistency between the theoretical and the experimental spectra is achieved. It is shown that the 2D K{sub α}-spectra allow a clear distinction of charge exchange and transport effects, ensuring unique solutions for n

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

International Nuclear Information System (INIS)

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

2014-01-01

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

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

International Nuclear Information System (INIS)

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

2017-01-01

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

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.

Absorption of X-rays in the interstellar medium

International Nuclear Information System (INIS)

Ride, S.K.; Stanford Univ., Calif.; Walker, A.B.C. Jr.; Stanford Univ., Calif.

1977-01-01

In order to interpret soft X-ray spectra of cosmic X-ray sources, it is necessary to know the photoabsorption cross-section of the intervening interstellar material. Current models suggest that the interstellar medium contains two phases which make a substantial contribution to the X-ray opacity: cool, relatively dense clouds that exist in pressure equilibrium with hot, tenuous intercloud regions. We have computed the soft X-ray photoabsorption cross-section (per hydrogen atom) of each of these two phases. The calculation are based on a model of the interstellar medium which includes chemical evolution of the galaxy, the formation of molecules and grains, and the ionization structure of each of each phase. These cross-sections of clouds and of intercloud regions can be combined to yield the total soft X-ray photoabsorption cross-section of the interstellar medium. By choosing the appropriate linear combination of cloud and intercloud cross-sections, we can tailor the total cross-section to a particular line-of-sight. This approach, coupled with our interstellar model, enables us to better describe a wide range of interstellar features such as H II regions, dense (molecular) clouds, or the ionized clouds which may surround binary X-ray sources. (orig.) [de

F K-edge soft X-ray absorption spectroscopy

International Nuclear Information System (INIS)

Sugimura, Tetsuro; Kawai, Jun; Maeda, Kuniko; Fukushima, Akiko; Shin, S.; Motoyama, Muneyuki; Nakajima Tsuyoshi

2001-01-01

We measured F X-ray absorption spectra of various fluorine compounds using a synchrotron radiation at KEK-PF. The absorption spectra were measured using X-ray fluorescence yield (XFY) and total electron yield (TEY) methods. Change of the spectral shape has a relation to the metal-fluorine bond distance. By comparing with the experimental spectrum and calculated spectrum, F 2p state density is divined into up and down states. (author)

Effective Energy Determination Of Radiodiagnostic X-Rays

International Nuclear Information System (INIS)

Sumarni; Mart, Terry

2000-01-01

X-rays have been used for diagnostic radiology to produce image on film that give anatomy information. Effective energy should be known to get benefit exposure. Half value layer (HVL) as shown as monoenergetic x-rays has similar spectra of energy x-rays. It has been done measurement with x-ray machine Tanka at P3KRBIN-Batan for 40 kVp to 119 kVp of potential found of Aluminium HVL are 0.115 cm to 0.385 cm and energy effective between 23.24 keV to 37.5 keV

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

International Nuclear Information System (INIS)

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

2014-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-09-01

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

Measuring Quasar Spin via X-ray Continuum Fitting

Science.gov (United States)

Jenkins, Matthew; Pooley, David; Rappaport, Saul; Steiner, Jack

2018-01-01

We have identified several quasars whose X-ray spectra appear very soft. When fit with power-law models, the best-fit indices are greater than 3. This is very suggestive of thermal disk emission, indicating that the X-ray spectrum is dominated by the disk component. Galactic black hole binaries in such states have been successfully fit with disk-blackbody models to constrain the inner radius, which also constrains the spin of the black hole. We have fit those models to XMM-Newton spectra of several of our identified soft X-ray quasars to place constraints on the spins of the supermassive black holes.

X-ray microscopy and spectromicroscopy - tools for environmental studies

International Nuclear Information System (INIS)

Thieme, J.

2002-01-01

microscopy, especially structures from soils, sediments and groundwater aquifers. Several examples will be presented: Dispersions extracted from these systems have been imaged with an X-ray microscope to obtain first of all a visual impression of the appearance of the colloids. The effect of changing chemical conditions in the aqueous dispersion media has been studied, too. The change in the appearance of the colloidal structures has been imaged and evaluated using fractal geometry. Clay dispersions and microhabitats have been imaged tomographically. Tilt series of images have been obtained with an X-ray microscope; the specimen was then reconstructed from these images. The resulting reconstruction conveys a detailed three-dimensional impression of the specimen structure, as will be shown. Using spectromicroscopy, the distribution of organic substances on inorganic soil colloids has been studied. A major fraction of these are humic substances. Spectra have been taken from humic substances with and without iron as a coagulation agent. Different functional groups have been identified and changes due to the influence of iron have been mapped. Copyright (2002) Australian Society for Electron Microscopy Inc

Resonant inelastic x-ray scattering on iso-C2H2Cl2 around the chlorine K-edge: Structural and dynamical aspects

International Nuclear Information System (INIS)

Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Simon, Marc; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok

2014-01-01

We report a theoretical and experimental study of the high resolution resonant K α X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K α emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state

Resonant inelastic x-ray scattering on iso-C2H2Cl2 around the chlorine K-edge: Structural and dynamical aspects

Science.gov (United States)

Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok; Kavčič, Matjaž; Céolin, Denis; Khoury, Antonio; Simon, Marc

2014-10-01

We report a theoretical and experimental study of the high resolution resonant Kα X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the Kα emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

X-ray Emitting GHz-Peaked Spectrum Galaxies: Testing a Dynamical-Radiative Model with Broad-Band Spectra

International Nuclear Information System (INIS)

Ostorero, L.; Moderski, R.; Stawarz, L.; Diaferio, A.; Kowalska, I.; Cheung, C.C.; Kataoka, J.; Begelman, M.C.; Wagner, S.J.

2010-01-01

In a dynamical-radiative model we recently developed to describe the physics of compact, GHz-Peaked-Spectrum (GPS) sources, the relativistic jets propagate across the inner, kpc-sized region of the host galaxy, while the electron population of the expanding lobes evolves and emits synchrotron and inverse-Compton (IC) radiation. Interstellar-medium gas clouds engulfed by the expanding lobes, and photoionized by the active nucleus, are responsible for the radio spectral turnover through free-free absorption (FFA) of the synchrotron photons. The model provides a description of the evolution of the GPS spectral energy distribution (SED) with the source expansion, predicting significant and complex high-energy emission, from the X-ray to the γ-ray frequency domain. Here, we test this model with the broad-band SEDs of a sample of eleven X-ray emitting GPS galaxies with Compact-Symmetric-Object (CSO) morphology, and show that: (i) the shape of the radio continuum at frequencies lower than the spectral turnover is indeed well accounted for by the FFA mechanism; (ii) the observed X-ray spectra can be interpreted as non-thermal radiation produced via IC scattering of the local radiation fields off the lobe particles, providing a viable alternative to the thermal, accretion-disk dominated scenario. We also show that the relation between the hydrogen column densities derived from the X-ray (N H ) and radio (N HI ) data of the sources is suggestive of a positive correlation, which, if confirmed by future observations, would provide further support to our scenario of high-energy emitting lobes.

A structural study of bone changes in knee osteoarthritis by synchrotron-based X-ray fluorescence and X-ray absorption spectroscopy techniques

Science.gov (United States)

Sindhupakorn, Bura; Thienpratharn, Suwittaya; Kidkhunthod, Pinit

2017-10-01

Osteoarthritis (OA) is characterized by degeneration of articular cartilage and thickening of subchondral bone. The present study investigated the changing of biochemical components of cartilage and bone compared between normal and OA people. Using Synchrotron-based X-ray fluorescence (SR-XRF) and X-ray absorption spectroscopy (XAS) techniquesincluding X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) were employed for the bone changes in kneeosteoarthritisstudies. The bone samples were collected from various osteoarthritis patients with both male and female in the ages range between 20 and 74 years old. SR-XRF results excited at 4240 eV for Ca elements show a majority three main groups, based on their XRF intensities, 20-36 years, 40-60 years and over 70 years, respectively. By employing XAS techniques, XANES features can be used to clearly explain in term of electronic transitions occurring in bone samples which are affected from osteoarthritis symptoms. Moreover, a structural change around Ca ions in bone samples is obviously obtained by EXAFS results indicating an increase of Ca-amorphous phase when the ages increase.

A new X-ray pinhole camera for energy dispersive X-ray fluorescence imaging with high-energy and high-spatial resolution

Energy Technology Data Exchange (ETDEWEB)

Romano, F.P., E-mail: romanop@lns.infn.it [IBAM, CNR, Via Biblioteca 4, 95124 Catania (Italy); INFN-LNS, Via S. Sofia 62, 95123 Catania (Italy); Altana, C. [INFN-LNS, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia 64, 95123 Catania (Italy); Cosentino, L.; Celona, L.; Gammino, S.; Mascali, D. [INFN-LNS, Via S. Sofia 62, 95123 Catania (Italy); Pappalardo, L. [IBAM, CNR, Via Biblioteca 4, 95124 Catania (Italy); INFN-LNS, Via S. Sofia 62, 95123 Catania (Italy); Rizzo, F. [INFN-LNS, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Università di Catania, Via S. Sofia 64, 95123 Catania (Italy)

2013-08-01

A new X-ray pinhole camera for the Energy Dispersive X-ray Fluorescence (ED-XRF) imaging of materials with high-energy and high-spatial resolution, was designed and developed. It consists of a back-illuminated and deep depleted CCD detector (composed of 1024 × 1024 pixels with a lateral size of 13 μm) coupled to a 70 μm laser-drilled pinhole-collimator, positioned between the sample under analysis and the CCD. The X-ray pinhole camera works in a coaxial geometry allowing a wide range of magnification values. The characteristic X-ray fluorescence is induced on the samples by irradiation with an external X-ray tube working at a maximum power of 100 W (50 kV and 2 mA operating conditions). The spectroscopic capabilities of the X-ray pinhole camera were accurately investigated. Energy response and energy calibration of the CCD detector were determined by irradiating pure target-materials emitting characteristic X-rays in the energy working-domain of the system (between 3 keV and 30 keV). Measurements were performed by using a multi-frame acquisition in single-photon counting. The characteristic X-ray spectra were obtained by an automated processing of the acquired images. The energy resolution measured at the Fe–Kα line is 157 eV. The use of the X-ray pinhole camera for the 2D resolved elemental analysis was investigated by using reference-patterns of different materials and geometries. The possibility of the elemental mapping of samples up to an area of 3 × 3 cm{sup 2} was demonstrated. Finally, the spatial resolution of the pinhole camera was measured by analyzing the profile function of a sharp-edge. The spatial resolution determined at the magnification values of 3.2 × and 0.8 × (used as testing values) is about 90 μm and 190 μm respectively. - Highlights: • We developed an X-ray pinhole camera for the 2D X-ray fluorescence imaging. • X-ray spectra are obtained by a multi-frame acquisition in single photon mode. • The energy resolution in the X-ray

Dynamical X-ray scattering from the relaxed structures

International Nuclear Information System (INIS)

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

2009-01-01

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

Theory of inelastic scattering and absorption of X-rays

CERN Document Server

Veenendaal, Michel van

2015-01-01

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

Indirect measurements of X-ray spectra; Mediciones indirectas de espectros de rayos X

Energy Technology Data Exchange (ETDEWEB)

Mainardi, R.T. [Facultad de Matematica, Astronomia y Fisica, Universidad Nacional de Cordoba, X5000HUA Cordoba (Argentina)

2006-07-01

To the effects of measuring the spectral distribution of the radiation emitted by the x-ray tubes and electron accelerators, numerous procedures that are grouped in two big categories exist at the present time: direct and indirect methods. The first ones use high resolution detectors that should be positioned, together with the appropriate collimator, in the direction of the x ray beam. The user should be an expert in the use and correction of the obtained data by the different effects that affect the detector operation such as efficiency and resolution in terms of the energy of the detected radiation. The indirect procedures, although its are more simple to use, its also require a considerable space along the beam to position the ionization chamber and the necessary absorbents to construct by this way the denominated attenuation curve. We will analyze the operation principle of the indirect methods and a new proposal in which such important novelties are introduced as the beam dispersion to avoid to measure along the main beam and that of determination of the attenuation curve in simultaneous form. By this way, with a single shot of the tube, the attenuation curve is measured, being necessary at most a shot of additional calibration to know the relative response of the detectors used in the experimental array. The physical processes involved in the obtaining of an attenuation curve are very well well-known and this it finishes it can be theoretically calculated if the analytic form of the spectrum is supposed well-known. Finally, we will see a spectra reconstruction example with the Kramers parametric form and comparisons with numeric simulations carried out with broadly validated programs as well as the possibility of the use of solid state dosemeters in the obtention of the attenuation curve. (Author)

X-ray absorption fine structure (XAFS) studies of cobalt silicide thin films

International Nuclear Information System (INIS)

Naftel, S.J.; Coulthard, I.; Hu, Y.; Sham, T.K.; Zinke-Allmang, M.

1998-01-01

Cobalt silicide thin films, prepared on Si(100) wafers, have been studied by X-ray absorption near edge structures (XANES) at the Si K-, L 2,3 - and Co K-edges utilizing both total electron (TEY) and fluorescence yield (FLY) detection as well as extended X-ray absorption fine structure (EXAFS) at the Co K-edge. Samples made using DC sputter deposition on clean Si surfaces and MBE were studied along with a bulk CoSi 2 sample. XANES and EXAFS provide information about the electronic structure and morphology of the films. It was found that the films studied have essentially the same structure as bulk CoSi 2 . Both the spectroscopy and materials characterization aspects of XAFS (X-ray absorption fine structures) are discussed

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

DEFF Research Database (Denmark)

Haldrup, Kristoffer; Gawelda, Wojciech; Abela, Rafael

2016-01-01

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

An MCNP-based model of a medical linear accelerator x-ray photon beam.

Science.gov (United States)

Ajaj, F A; Ghassal, N M

2003-09-01

The major components in the x-ray photon beam path of the treatment head of the VARIAN Clinac 2300 EX medical linear accelerator were modeled and simulated using the Monte Carlo N-Particle radiation transport computer code (MCNP). Simulated components include x-ray target, primary conical collimator, x-ray beam flattening filter and secondary collimators. X-ray photon energy spectra and angular distributions were calculated using the model. The x-ray beam emerging from the secondary collimators were scored by considering the total x-ray spectra from the target as the source of x-rays at the target position. The depth dose distribution and dose profiles at different depths and field sizes have been calculated at a nominal operating potential of 6 MV and found to be within acceptable limits. It is concluded that accurate specification of the component dimensions, composition and nominal accelerating potential gives a good assessment of the x-ray energy spectra.

Characterizing the Solvated Structure of Photoexcited [Os(terpy2]2+ with X-ray Transient Absorption Spectroscopy and DFT Calculations

Directory of Open Access Journals (Sweden)

Xiaoyi Zhang

2016-02-01

Full Text Available Characterizing the geometric and electronic structures of individual photoexcited dye molecules in solution is an important step towards understanding the interfacial properties of photo-active electrodes. The broad family of “red sensitizers” based on osmium(II polypyridyl compounds often undergoes small photo-induced structural changes which are challenging to characterize. In this work, X-ray transient absorption spectroscopy with picosecond temporal resolution is employed to determine the geometric and electronic structures of the photoexcited triplet state of [Os(terpy2]2+ (terpy: 2,2′:6′,2″-terpyridine solvated in methanol. From the EXAFS analysis, the structural changes can be characterized by a slight overall expansion of the first coordination shell [OsN6]. DFT calculations supports the XTA results. They also provide additional information about the nature of the molecular orbitals that contribute to the optical spectrum (with TD-DFT and the near-edge region of the X-ray spectra.

High-energy X-ray observations of extragalactic objects

International Nuclear Information System (INIS)

Pietsch, W.; Reppin, C.; Truemper, J.; Voges, W.; Lewin, W.; Kendziorra, E.; Staubert, R.

1981-01-01

During a balloon flight from Alice Springs, Australia, six extragalactic sources which are known as potential X-ray sources have been observed in hard X-rays (E > 20 keV). We present X-ray spectra of 3C 273 and Cen-A as well as upper limits on 3C 120, MKN 509, NGC 5506, and MR 2251-178. (orig.)

Time-resolved x-ray line diagnostics of laser-produced plasmas

International Nuclear Information System (INIS)

Kauffman, R.L.; Matthews, D.L.; Kilkenny, J.D.; Lee, R.W.

1982-11-01

We have examined the underdense plasma conditions of laser irradiated disks using K x-rays from highly ionized ions. A 900 ps laser pulse of 0.532 μm light is used to irradiate various Z disks which have been doped with low concentrations of tracer materials. The tracers, whose Z's range from 13 to 22, are chosen so that their K x-ray spectrum is sensitive to typical underdense plasma temperatures and densities. Spectra are measured using a time-resolved crystal spectrograph recording the time history of the x-ray spectrum. A spatially-resolved, time-integrated crystal spectrograph also monitors the x-ray lines. Large differences in Al spectra are observed when the host plasms is changed from SiO 2 to PbO or In. Spectra will be presented along with preliminary analysis of the data

Time-resolved x-ray line diagnostics of laser-produced plasmas

International Nuclear Information System (INIS)

Kauffman, R.L.; Matthews, D.L.; Kilkenny, J.D.; Lee, R.W.

1982-01-01

We have examined the underdense plasma conditions of laser irradiated disks using K x-rays from highly ionized ions. A 900 ps laser pulse of 0.532 μm light is used to irradiate various Z disks which have been doped with low concentrations of tracer materials. The tracers whose Z's range from 13 to 22 are chosen so that their K x-ray spectrum is sensitive to typical underdense plasma temperatures and densities. Spectra are measured using a time-resolved crystal spectrograph recording the time history of the x-ray spectrum. A spatially-resolved, time-integrated crystal spectrograph also monitors the x-ray lines. Large differences in Al spectra are observed when the host plasma is changed from SiO 2 to PbO or In. Spectra will be presented along with preliminary analysis of the data

X-ray spectra of PG quasars. II - the X-ray-ultraviolet excess of PG 1211 + 143

International Nuclear Information System (INIS)

Bechtold, J.; Czerny, B.; Elvis, M.; Fabbiano, G.; Green, R.F.; Harvard-Smithsonian Center for Astrophysics, Cambridge, MA; Kitt Peak National Observatory, Tucson, AZ)

1987-01-01

Observations of the quasar PG 1211 + 143 are presented and its continuum is modelled in terms of an accretion disk and an underlying power law. The X-ray spectrum in the Einstein imaging proportional counter band is well described by a power law with the very steep spectral index 2.2 + or - 0.4. The overall continuum spectral energy distribution can be described as a power law with alpha roughly 1.2 from the infrared to about 1 keV, with the optical, ultraviolet, and soft X-rays forming a large excess above this power law. If the soft X-ray excess is attributed to emission from a physically thin, optically thick accretion disk, then the implied accretion rate is super-Eddington, from which it is concluded that the application of this simple model is not valid. The observed broad-line ratios in PG 1211 + 143 imply broad-line cloud densities that are somewhat higher than those usually derived for quasars. 82 references

X-Ray Spectral Diagnostics of Gamma-Ray Burst Environments.

Science.gov (United States)

Paerels; Kuulkers; Heise; Liedahl

2000-05-20

Recently, detection of discrete features in the X-ray afterglow spectra of GRB 970508 and GRB 970828 was reported. The most natural interpretation of these features is that they are redshifted Fe K emission complexes. The identification of the line emission mechanism has drastic implications for the inferred mass of radiating material and hence the nature of the burst site. X-ray spectroscopy provides a direct observational constraint on these properties of gamma-ray bursters. We briefly discuss how these constraints arise in the context of an application to the spectrum of GRB 970508.

X-ray Reflected Spectra from Accretion Disk Models. III. A Complete Grid of Ionized Reflection Calculations

Science.gov (United States)

Garcia, J.; Dauser, T.; Reynolds, C. S.; Kallman, T. R.; McClintock, J. E.; Wilms, J.; Ekmann, W.

2013-01-01

We present a new and complete library of synthetic spectra for modeling the component of emission that is reflected from an illuminated accretion disk. The spectra were computed using an updated version of our code xillver that incorporates new routines and a richer atomic data base. We offer in the form of a table model an extensive grid of reflection models that cover a wide range of parameters. Each individual model is characterized by the photon index Gamma of the illuminating radiation, the ionization parameter zeta at the surface of the disk (i.e., the ratio of the X-ray flux to the gas density), and the iron abundance A(sub Fe) relative to the solar value. The ranges of the parameters covered are: 1.2 <= Gamma <= 3.4, 1 <= zeta <= 104, and 0.5 <= A(sub Fe) <= 10. These ranges capture the physical conditions typically inferred from observations of active galactic nuclei, and also stellar-mass black holes in the hard state. This library is intended for use when the thermal disk flux is faint compared to the incident power-law flux. The models are expected to provide an accurate description of the Fe K emission line, which is the crucial spectral feature used to measure black hole spin. A total of 720 reflection spectra are provided in a single FITS file suitable for the analysis of X-ray observations via the atable model in xspec. Detailed comparisons with previous reflection models illustrate the improvements incorporated in this version of xillver.

A low power x-ray tube for use in energy dispersive x-ray fluorescence analysis

International Nuclear Information System (INIS)

Kataria, S.K.; Govil, Rekha; Lal, M.

1980-01-01

A low power X-ray tube with thin molybdenum transmission target for use in energy dispersive X-ray fluorescence (ENDXRF) element analysis has been indigenously built, along with its power supply. The X-ray tube has been in operation since August 1979, and it has been operated upto maximum target voltage of 35 KV and tube current upto 200 μA which is more than sufficient for trace element analysis. This X-ray tube has been used alongwith the indigenously built Si(Li) detector X-ray spectrometer with an energy resolution of 200 eV at 5.9 Kev MnKsub(α) X-ray peak for ENDXRF analysis. A simple procedure of calibration has been developed for thin samples based on the cellulose diluted, thin multielement standard pellets. Analytical sensitivities of the order of a few p.p.m. have been obtained with the experimental setup for elements with 20 < = Z < = 38 and 60 < = Z < = 90. A number of X-ray spectra for samples of environmental, biological, agricultural, industrial and metallurgical interest are presented to demonstrate the salient features of the experimental sep up. (auth.)

Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation.

Science.gov (United States)

Seibert, Jakob; Bannwarth, Christoph; Grimme, Stefan

2017-08-30

A fully quantum mechanical (QM) treatment to calculate electronic absorption (UV-vis) and circular dichroism (CD) spectra of typical biomolecules with thousands of atoms is presented. With our highly efficient sTDA-xTB method, spectra averaged along structures from molecular dynamics (MD) simulations can be computed in a reasonable time frame on standard desktop computers. This way, nonequilibrium structure and conformational, as well as purely quantum mechanical effects like charge-transfer or exciton-coupling, are included. Different from other contemporary approaches, the entire system is treated quantum mechanically and neither fragmentation nor system-specific adjustment is necessary. Among the systems considered are a large DNA fragment, oligopeptides, and even entire proteins in an implicit solvent. We propose the method in tandem with experimental spectroscopy or X-ray studies for the elucidation of complex (bio)molecular structures including metallo-proteins like myoglobin.

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

International Nuclear Information System (INIS)

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

2004-01-01

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

Identification of Hard X-ray Sources in Galactic Globular Clusters: Simbol-X Simulations

Science.gov (United States)

Servillat, M.

2009-05-01

Globular clusters harbour an excess of X-ray sources compared to the number of X-ray sources in the Galactic plane. It has been proposed that many of these X-ray sources are cataclysmic variables that have an intermediate magnetic field, i.e. intermediate polars, which remains to be confirmed and understood. We present here several methods to identify intermediate polars in globular clusters from multiwavelength analysis. First, we report on XMM-Newton, Chandra and HST observations of the very dense Galactic globular cluster NGC 2808. By comparing UV and X-ray properties of the cataclysmic variable candidates, the fraction of intermediate polars in this cluster can be estimated. We also present the optical spectra of two cataclysmic variables in the globular cluster M 22. The HeII (4868 Å) emission line in these spectra could be related to the presence of a magnetic field in these objects. Simulations of Simbol-X observations indicate that the angular resolution is sufficient to study X-ray sources in the core of close, less dense globular clusters, such as M 22. The sensitivity of Simbol-X in an extended energy band up to 80 keV will allow us to discriminate between hard X-ray sources (such as magnetic cataclysmic variables) and soft X-ray sources (such as chromospherically active binaries).

Analysis of the electronic structure of human hemoglobin from soft X-ray emission

International Nuclear Information System (INIS)

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

2005-01-01

We present X-ray emission spectra (XES) of human hemoglobin excited near the iron L 2,3 threshold and the nitrogen and carbon K-edges. The experiment is compared with our calculations of the corresponding spectra and gives good agreement. We find that the Fe L 3 emission is affected by the nearest nitrogen atoms located in the heme plane around the central iron atom. The distribution of the partial electronic densities of states of hemoglobin is determined

DXRaySMCS: a user-friendly interface developed for prediction of diagnostic radiology X-ray spectra produced by Monte Carlo (MCNP-4C) simulation.

Science.gov (United States)

Bahreyni Toossi, M T; Moradi, H; Zare, H

2008-01-01

In this work, the general purpose Monte Carlo N-particle radiation transport computer code (MCNP-4C) was used for the simulation of X-ray spectra in diagnostic radiology. The electron's path in the target was followed until its energy was reduced to 10 keV. A user-friendly interface named 'diagnostic X-ray spectra by Monte Carlo simulation (DXRaySMCS)' was developed to facilitate the application of MCNP-4C code for diagnostic radiology spectrum prediction. The program provides a user-friendly interface for: (i) modifying the MCNP input file, (ii) launching the MCNP program to simulate electron and photon transport and (iii) processing the MCNP output file to yield a summary of the results (relative photon number per energy bin). In this article, the development and characteristics of DXRaySMCS are outlined. As part of the validation process, output spectra for 46 diagnostic radiology system settings produced by DXRaySMCS were compared with the corresponding IPEM78. Generally, there is a good agreement between the two sets of spectra. No statistically significant differences have been observed between IPEM78 reported spectra and the simulated spectra generated in this study.

Monte Carlo Simulation of Complete X-Ray Spectra for Use in Scanning Electron Microscopy Analysis

International Nuclear Information System (INIS)

Roet, David; Van Espen, Piet

2003-01-01

Full Text: The interactions of keV electrons and photons with matter can be simulated accurately with the aid of the Monte Carlo (MC) technique. In scanning electron microscopy x-ray analysis (SEM-EDX) such simulations can be used to perform quantitative analysis using a Reverse Monte Carlo method even if the samples have irregular geometry. Alternatively the MC technique can generate spectra of standards for use in quantization with partial least squares regression. The feasibility of these alternatives to the more classical ZAF or phi-rho-Z quantification methods has been proven already. In order to be applicable for these purposes the MC-code needs to generate accurately only the characteristic K and L x-ray lines, but also the Bremsstrahlung continuum, i.e. the complete x-ray spectrum need to be simulated. Currently two types of MC simulation codes are available. Programs like Electron Flight Simulator and CASINO simulate characteristic x-rays due to electron interaction in a fast and efficient way but lack provision for the simulation of the continuum. On the other hand, programs like EGS4, MCNP4 and PENELOPE, originally developed for high energy (MeV- GeV) applications, are more complete but difficult to use and still slow, even on todays fastest computers. We therefore started the development of a dedicated MC simulation code for use in quantitative SEM-EDX work. The selection of the most appropriate cross section for the different interactions will be discussed and the results obtained will be compared with those obtained with existing MC programs. Examples of the application of MC simulations for quantitative analysis of samples with various composition will be given

Non-universal spectra of ultra-high energy cosmic ray primaries and secondaries in a structured universe

International Nuclear Information System (INIS)

Sigl, Guenter

2007-01-01

Analytical calculations of extra-galactic cosmic ray spectra above ∼ 10 17 eV are often performed assuming continuous source distributions, giving rise to spectra that depend little on the propagation mode, be it rectilinear or diffusive. We perform trajectory simulations for proton primaries in the probably more realistic case of discrete sources with a density of ∼ 10 -5 Mpc -3 . We find two considerable non-universal effects that depend on source distributions and magnetic fields: First, the primary extra-galactic cosmic ray flux can become strongly suppressed below a few 10 18 eV due to partial confinement in magnetic fields surrounding sources. Second, the secondary photon to primary cosmic ray flux ratio between ≅ 3 x 10 18 eV and ≅ 10 20 eV decreases with decreasing source density and increasing magnetization. As a consequence, in acceleration scenarios for the origin of highest energy cosmic rays the fraction of secondary photons may be difficult to detect even for experiments such as Pierre Auger. The cosmogenic neutrino flux does not significantly depend on source density and magnetization. (author)

Analysis of the X-ray emission spectra of copper, germanium and rubidium plasmas produced at the Phelix laser facility

Science.gov (United States)

Comet, M.; Pain, J.-C.; Gilleron, F.; Piron, R.; Denis-Petit, D.; Méot, V.; Gosselin, G.; Morel, P.; Hannachi, F.; Gobet, F.; Tarisien, M.; Versteegen, M.

2017-03-01

We present the analysis of X-ray emission spectra of copper, germanium and rubidium plasmas measured at the Phelix laser facility. The laser intensity was around 6×1014 W.cm-2. The analysis is based on the hypothesis of an homogeneous plasma in local thermodynamic equilibrium using an effective temperature. This temperature is deduced from hydrodynamic simulations and collisional-radiative computations. Spectra are then calculated using the LTE opacity codes OPAMCDF and SCO-RCG and compared to experimental data.

Hard X ray lines from neutron stars

Energy Technology Data Exchange (ETDEWEB)

Polcaro, V.F.; Bazzano, A.; La Padula, C.; Ubertini, P.

1982-01-01

Experimental evidence is presented and evaluated concerning the features of the hard X-ray spectra detected in a number of cosmic X-ray sources which contain a neutron star. The strong emission line at cyclotron resonance detected in the spectrum of Her XI at an energy of 58 keV is evaluated and the implications of this finding are discussed. Also examined is the presence of spectral features in the energy range 20-80 keV found in the spectra of gamma-ray bursts, which have been interpreted as cyclotron resonance from interstellar-gas-accreting neutron stars. The less understood finding of a variable emission line at approximately 70 keV in the spectrum of the Crab Pulsar is considered. It is determined that several features varying with time are present in the spectra of cosmic X-ray sources associated with neutron stars. If these features are due to cyclotron resonance, it is suggested that they provide a direct measurement of neutron star magnetic fields on the order of 10 to the 11th-10 to the 13th Gauss. However, the physical condition of the emitting region and its geometry are still quite obscure.

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

Science.gov (United States)

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

2016-04-01

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

X-ray grating observations of recurrent nova T Pyxidis during the 2011 outburst

Energy Technology Data Exchange (ETDEWEB)

Tofflemire, Benjamin M.; Orio, Marina [Astronomy Department, University of Wisconsin-Madison, 475 N. Charter St., WI 53711 (United States); Page, Kim L.; Osborne, Julian P. [Department of Physics and Astronomy, University of Leicester, Leicester LE1 7RH (United Kingdom); Ciroi, Stefano; Cracco, Valentina; Di Mille, Francesco [Department of Physics and Astronomy, Padova University, Vicolo dell' Osservatorio 3, I-35122 Padova (Italy); Maxwell, Michael [Jeremiah Horrocks Institute, University of Central Lancashire, Preston PR1 2HE (United Kingdom)

2013-12-10

The recurrent nova T Pyx was observed with the X-ray gratings of Chandra and XMM-Newton, 210 and 235 days, respectively, after the discovery of the 2011 April 14 outburst. The X-ray spectra show prominent emission lines of C, N, and O, with broadening corresponding to an FWHM of ∼2000-3000 km s{sup –1}, and line ratios consistent with high-density plasma in collisional ionization equilibrium. On day 210 we also measured soft X-ray continuum emission that appears to be consistent with a white dwarf (WD) atmosphere at a temperature ∼420,000 K, partially obscured by anisotropic, optically thick ejecta. The X-ray continuum emission is modulated with the photometric and spectroscopic period observed in quiescence. The continuum at day 235 indicated a WD atmosphere at a consistent effective temperature of 25 days earlier, but with a lower flux. The effective temperature indicates a mass of ∼1 M {sub ☉}. The conclusion of partial WD obscuration is supported by the complex geometry of non-spherically symmetric ejecta confirmed in recent optical spectra obtained with the Southern African Large Telescope in November and December of 2012. These spectra exhibited prominent [O III] nebular lines with velocity structures typical of bipolar ejecta.

X-Ray Scattering Applications Using Pulsed X-Ray Sources

Energy Technology Data Exchange (ETDEWEB)

Larson, B.C.

1999-05-23

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

X-ray absorption spectra and emission spectra of plasmas

International Nuclear Information System (INIS)

Peng Yonglun; Yang Li; Wang Minsheng; Li Jiaming

2002-01-01

The author reports a theoretical method to calculate the resolved absorption spectra and emission spectra (optically thin) of hot dense plasmas. Due to its fully relativistic treatment incorporated with the quantum defect theory, it calculates the absorption spectra and emission spectra for single element or multi-element plasmas with little computational efforts. The calculated absorption spectra of LTE gold plasmas agree well with the experimental ones. It also calculates the optical thin emission spectra of LTE gold plasmas, which is helpful to diagnose the plasmas of relevant ICF plasmas. It can also provide the relevant parameters such as population density of various ionic stages, precise radiative properties for ICF studies

X-ray emission in heavy-ion collisions. Progress report, April 1, 1979-March 31, 1980

International Nuclear Information System (INIS)

Watson, R.L.

1980-04-01

Recent research in the cyclotron institute and department of chemistry at Texas A and M University on the x-ray emission in heavy-ion collisions is described. Areas covered include: spectra of Ka x-rays from 64 MeV sulfur ions traveling in solids; foil-excited Ka x-ray transitions in few-electron sulfur ions; high-resolution study of the target thickness dependence of x-ray emission from 65 MeV sulfur ions; dynamic screening of highly stripped sulfur ions in solids; Mg Ka x-ray satellites excited by ion bombardment, multiplet structure and dependence on projectile and chemical environment; angular distributions of beam and target Ka x-rays; chemical effects on K x-ray satellites of fluorine compounds; and a non-linear least-squares peak-fitting program employing Voight functions

Enabling liquid solvent structure analysis using hard x-ray absorption spectroscopy with a transferrable microfluidic reactor

Energy Technology Data Exchange (ETDEWEB)

Zheng, Jian; Zhang, Wei; Wang, Feng; Yu, Xiao-Ying

2018-04-11

In this paper, a vacuum compatible microfluidic device, System for Analysis at the Liquid Vacuum Interface (SALVI), is integrated to hard x-ray absorption spectroscopy (XAS) to obtain the local structure of K3[Fe(CN)6] in aqueous solutions with three concentrations of 0.5 M, 0.05 M, and 0.005 M. The solutions were sealed in a microchannel of 500 μm wide and 300 µm deep in a portable microfluidic device. The Fe K-edge x-ray absorption spectra show that the complex in water is Fe(III). The complex is present with octahedral geometry coordinated with 6 C atoms in the first shell with a distance of ~1.92 Å and 6 N atoms in the second shell with a distance of ~3.10 Å. Varying the concentration has no observable influence on the structure of K3[Fe(CN)6]. Our results demonstrate the feasibility of using microfluidic based liquid cells in large synchrotron facilities and it is a viable approach to enable multifaceted measurements of liquids in the future.

Enabling liquid solvent structure analysis using hard x-ray absorption spectroscopy with a transferrable microfluidic reactor

Science.gov (United States)

Zheng, Jian; Zhang, Wei; Wang, Feng; Yu, Xiao-Ying

2018-05-01

In this paper, a vacuum compatible microfluidic device, system for analysis at the liquid vacuum interface, is integrated to hard x-ray absorption spectroscopy to obtain the local structure of K3[Fe(CN)6] in aqueous solutions with three concentrations of 0.5 M, 0.05 M, and 0.005 M. The solutions were sealed in a microchannel 500 µm wide and 300 µm deep in a portable microfluidic device. The Fe K-edge x-ray absorption spectra indicate a presence of Fe(III) in the complex in water, with an octahedral geometry coordinated with 6 C atoms in the first shell with a distance of ~1.92 Å and 6 N atoms in the second shell with a distance of ~3.10 Å. Varying the concentration has no observable influence on the structure of K3[Fe(CN)6]. Our results demonstrate the feasibility of using microfluidic based liquid cells in large synchrotron facilities. Using portable microfludic reactors provides a viable approach to enable multifaceted measurements of liquids in the future.

X-ray diffraction study of the structure of detonation nanodiamonds

International Nuclear Information System (INIS)

Ozerin, A. N.; Kurkin, T. S.; Ozerina, L. A.; Dolmatov, V. Yu.

2008-01-01

The spatial structure of aggregates formed by detonation nanodiamonds is investigated using the wide-angle and small-angle X-ray scattering techniques. The effective sizes of crystallites and the crystallite size distribution function are determined. The shape of scattering aggregates is restored from the small-angle X-ray scattering data. An analysis of the results obtained allowed the conclusion that the nanodiamond aggregates have an extended spatial structure composed of nine to ten clusters, each involving four to five crystallites with a crystal lattice of the diamond type

Electronic and atomic structures of Ti1-xAlxN thin films related to their damage behavior

International Nuclear Information System (INIS)

Tuilier, M.-H.; Pac, M.-J.; Girleanu, M.; Covarel, G.; Arnold, G.; Louis, P.; Rousselot, C.; Flank, A.-M.

2008-01-01

Ti and Al K-edge x-ray absorption spectroscopy is used to investigate the electronic structure of Ti 1-x Al x N thin films deposited by reactive magnetron sputtering. The experimental near edge spectra of TiN and AlN are interpreted in the light of unoccupied density of state band structure calculations. The comparison of the structural parameters derived from x-ray absorption fine structure and x-ray diffraction reveals segregation between Al-rich and Ti-rich domains within the Ti 1-x Al x N films. Whereas x-ray diffraction probes only the crystallized domains, the structural information derived from extended x-ray absorption fine structure analysis turns on both crystalline and grain boundaries. The results are discussed by considering the damage behavior of the films depending on the composition