Visible light scatter measurements of the Advanced X-ray Astronomical Facility /AXAF/ mirror samples

NASA Technical Reports Server (NTRS)

Griner, D. B.

1981-01-01

NASA is studying the properties of mirror surfaces for X-ray telescopes, the data of which will be used to develop the telescope system for the Advanced X-ray Astronomical Facility. Visible light scatter measurements, using a computer controlled scanner, are made of various mirror samples to determine surface roughness. Total diffuse scatter is calculated using numerical integration techniques and used to estimate the rms surface roughness. The data measurements are then compared with X-ray scatter measurements of the same samples. A summary of the data generated is presented, along with graphs showing changes in scatter on samples before and after cleaning. Results show that very smooth surfaces can be polished on the common substrate materials (from 2 to 10 Angstroms), and nickel appears to give the lowest visible light scatter.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering.

PubMed

Wall, Michael E

2018-03-01

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structure to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wall, Michael E.

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

Internal protein motions in molecular-dynamics simulations of Bragg and diffuse X-ray scattering

DOE PAGES

Wall, Michael E.

2018-01-25

Molecular-dynamics (MD) simulations of Bragg and diffuse X-ray scattering provide a means of obtaining experimentally validated models of protein conformational ensembles. This paper shows that compared with a single periodic unit-cell model, the accuracy of simulating diffuse scattering is increased when the crystal is modeled as a periodic supercell consisting of a 2 × 2 × 2 layout of eight unit cells. The MD simulations capture the general dependence of correlations on the separation of atoms. There is substantial agreement between the simulated Bragg reflections and the crystal structure; there are local deviations, however, indicating both the limitation of using a single structuremore » to model disordered regions of the protein and local deviations of the average structure away from the crystal structure. Although it was anticipated that a simulation of longer duration might be required to achieve maximal agreement of the diffuse scattering calculation with the data using the supercell model, only a microsecond is required, the same as for the unit cell. Rigid protein motions only account for a minority fraction of the variation in atom positions from the simulation. The results indicate that protein crystal dynamics may be dominated by internal motions rather than packing interactions, and that MD simulations can be combined with Bragg and diffuse X-ray scattering to model the protein conformational ensemble.« less

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

NASA Astrophysics Data System (ADS)

Kowarik, Stefan

2017-02-01

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

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

PubMed

Kowarik, Stefan

2017-02-01

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

Studying Dust Scattering Halos with Galactic X-ray Binaries

NASA Astrophysics Data System (ADS)

Beeler, Doreen; Corrales, Lia; Heinz, Sebastian

2018-01-01

Dust is an important part of the interstellar medium (ISM) and contributes to the formation of stars and planets. Since the advent of modern X-ray telescopes, Galactic X-ray point sources have permitted a closer look at all phases of the ISM. Interstellar metals from oxygen to iron — in both gas and dust form — are responsible for absorption and scattering of X-ray light. Dust scatters the light in a forward direction and creates a diffuse halo image surrounding many bright Galactic X-ray binaries. We use all the bright X-ray point sources available in the Chandra HETG archive to study dust scattering halos from the local ISM. We have described a data analysis pipeline using a combination of the data reduction software CIAO and Python. We compare our results from Chandra HETG and ACIS-I observations of a well studied dust scattering halo around GX 13+1, in order to characterize any systematic errors associated with the HETG data set. We describe how our data products will be used to measure ISM scaling relations for X-ray extinction, dust abundance, and dust-to-metal ratios.

Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in ( Na , Bi ) Ti O 3 - x BaTi O 3 single crystals near the morphotropic phase boundary

DOE PAGES

Luo, Chengtao; Bansal, Dipanshu; Li, Jiefang; ...

2017-11-10

Neutron and x-ray scattering measurements were performed on (Na 1/2Bi 1/2)TiO 3-x at % BaTiO 3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scatteringmore » investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.« less

Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in ( Na , Bi ) Ti O 3 - x BaTi O 3 single crystals near the morphotropic phase boundary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Chengtao; Bansal, Dipanshu; Li, Jiefang

Neutron and x-ray scattering measurements were performed on (Na 1/2Bi 1/2)TiO 3-x at % BaTiO 3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scatteringmore » investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.« less

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering.

PubMed

Wall, Michael E; Van Benschoten, Andrew H; Sauter, Nicholas K; Adams, Paul D; Fraser, James S; Terwilliger, Thomas C

2014-12-16

X-ray diffraction from protein crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering is limited to what is available in the mean electron density. The diffuse scattering arises from correlations in the electron density variations and therefore contains information about collective motions in proteins. Previous studies using molecular-dynamics (MD) simulations to model diffuse scattering have been hindered by insufficient sampling of the conformational ensemble. To overcome this issue, we have performed a 1.1-μs MD simulation of crystalline staphylococcal nuclease, providing 100-fold more sampling than previous studies. This simulation enables reproducible calculations of the diffuse intensity and predicts functionally important motions, including transitions among at least eight metastable states with different active-site geometries. The total diffuse intensity calculated using the MD model is highly correlated with the experimental data. In particular, there is excellent agreement for the isotropic component of the diffuse intensity, and substantial but weaker agreement for the anisotropic component. Decomposition of the MD model into protein and solvent components indicates that protein-solvent interactions contribute substantially to the overall diffuse intensity. We conclude that diffuse scattering can be used to validate predictions from MD simulations and can provide information to improve MD models of protein motions.

Interface structure in nanoscale multilayers near continuous-to-discontinuous regime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pradhan, P. C.; Majhi, A.; Nayak, M., E-mail: mnayak@rrcat.gov.in

2016-07-28

Interfacial atomic diffusion, reaction, and formation of microstructure in nanoscale level are investigated in W/B{sub 4}C multilayer (ML) system as functions of thickness in ultrathin limit. Hard x-ray reflectivity (XRR) and x-ray diffuse scattering in conjunction with x-ray absorption near edge spectroscopy (XANES) in soft x-ray and hard x-ray regimes and depth profiling x-ray photoelectron spectroscopy (XPS) have been used to precisely evaluate detailed interfacial structure by systematically varying the individual layer thickness from continuous-to-discontinuous regime. It is observed that the interfacial morphology undergoes an unexpected significant modification as the layer thickness varies from continuous-to-discontinuous regime. The interfacial atomic diffusionmore » increases, the physical density of W layer decreases and that of B{sub 4}C layer increases, and further more interestingly the in-plane correlation length decreases substantially as the layer thickness varies from continuous-to-discontinuous regime. This is corroborated using combined XRR and x-ray diffused scattering analysis. XANES and XPS results show formation of more and more tungsten compounds at the interfaces as the layer thickness decreases below the percolation threshold due to increase in the contact area between the elements. The formation of compound enhances to minimize certain degree of disorder at the interfaces in the discontinuous region that enables to maintain the periodic structure in ML. The degree of interfacial atomic diffusion, interlayer interaction, and microstructure is correlated as a function of layer thickness during early stage of film growth.« less

Operational properties of fluctuation X-ray scattering data

DOE PAGES

Malmerberg, Erik; Kerfeld, Cheryl A.; Zwart, Petrus H.

2015-03-20

X-ray scattering images collected on timescales shorter than rotation diffusion times using a (partially) coherent beam result in a significant increase in information content in the scattered data. These measurements, named fluctuation X-ray scattering (FXS), are typically performed on an X-ray free-electron laser (XFEL) and can provide fundamental insights into the structure of biological molecules, engineered nanoparticles or energy-related mesoscopic materials beyond what can be obtained with standard X-ray scattering techniques. In order to understand, use and validate experimental FXS data, the availability of basic data characteristics and operational properties is essential, but has been absent up to this point.more » In this communication, an intuitive view of the nature of FXS data and their properties is provided, the effect of FXS data on the derived structural models is highlighted, and generalizations of the Guinier and Porod laws that can ultimately be used to plan experiments and assess the quality of experimental data are presented.« less

Spectrally resolving and scattering-compensated x-ray luminescence/fluorescence computed tomography

PubMed Central

Cong, Wenxiang; Shen, Haiou; Wang, Ge

2011-01-01

The nanophosphors, or other similar materials, emit near-infrared (NIR) light upon x-ray excitation. They were designed as optical probes for in vivo visualization and analysis of molecular and cellular targets, pathways, and responses. Based on the previous work on x-ray fluorescence computed tomography (XFCT) and x-ray luminescence computed tomography (XLCT), here we propose a spectrally-resolving and scattering-compensated x-ray luminescence/fluorescence computed tomography (SXLCT or SXFCT) approach to quantify a spatial distribution of nanophosphors (other similar materials or chemical elements) within a biological object. In this paper, the x-ray scattering is taken into account in the reconstruction algorithm. The NIR scattering is described in the diffusion approximation model. Then, x-ray excitations are applied with different spectra, and NIR signals are measured in a spectrally resolving fashion. Finally, a linear relationship is established between the nanophosphor distribution and measured NIR data using the finite element method and inverted using the compressive sensing technique. The numerical simulation results demonstrate the feasibility and merits of the proposed approach. PMID:21721815

Complete p-type activation in vertical-gradient freeze GaAs co-implanted with gallium and carbon

NASA Astrophysics Data System (ADS)

Horng, S. T.; Goorsky, M. S.

1996-03-01

High-resolution triple-axis x-ray diffractometry and Hall-effect measurements were used to characterize damage evolution and electrical activation in gallium arsenide co-implanted with gallium and carbon ions. Complete p-type activation of GaAs co-implanted with 5×1014 Ga cm-2 and 5×1014 C cm-2 was achieved after rapid thermal annealing at 1100 °C for 10 s. X-ray diffuse scattering was found to increase after rapid thermal annealing at 600-900 °C due to the aggregation of implantation-induced point defects. In this annealing range, there was ˜10%-72% activation. After annealing at higher annealing temperatures, the diffuse scattered intensity decreased drastically; samples that had been annealed at 1000 °C (80% activated) and 1100 °C (˜100% activated) exhibited reciprocal space maps that were indicative of high crystallinity. The hole mobility was about 60 cm2/V s for all samples annealed at 800 °C and above, indicating that the crystal perfection influences dopant activation more strongly than it influences mobility. Since the high-temperature annealing simultaneously increases dopant activation and reduces x-ray diffuse scattering, we conclude that point defect complexes which form at lower annealing temperatures are responsible for both the diffuse scatter and the reduced activation.

X-Ray Studies of Diffusion Dynamics in Nano-Confined Geometries

NASA Astrophysics Data System (ADS)

Boucheron, Leandra

Since their discovery in the late 1800s, x-rays have taken the stage as one of the most powerful research techniques for materials science. Their element-specific absorption has allowed for everyday applications in security and medical imaging, while their short wavelength has a tremendous ability to resolve materials on a molecular or even atomic level. In this dissertation, I will discuss basic properties of x-rays as well as how they are produced and detected. I will also present x-ray scattering and analysis techniques before moving onto a discussion of my research on diffusion in soft-matter systems. I provide a full alignment guide for a lab-based dynamic light scattering (DLS) goniometer system, which I used for some preliminary studies of systems. I proceed to discuss diffusion on the nanoscale in quasi-1D (nanopores) and quasi-2D (liquid surface) systems. The latter of these systems was the main focus of my dissertation research. I utilized x-ray photon correlation spectroscopy (XPCS) to study the diffusion and interparticle dynamics of iron oxide nanoparticles at the air-water interface. Autocorrelation analysis revealed that these particles show signatures of a jammed system under lateral compression. I present these results as well as a description of their interpretation and importance in the main text.

Mechanical Properties versus Morphology of Ordered Polymers. Volume III. Part I

DTIC Science & Technology

1982-08-01

measured by wide angle x-ray scattering and differential scanning calorimetry, is unrelated to the diffuse scattered intensity [62]. Cellulose acetate which...increasing void fraction, in air swollen cellulose . Comparison of the volume fraction of voids calculated from the SAXS integrated intensity with...1964). 63. P.H. Hermans, D. Heikens, and A. Weidinger, "A Quantitative Investigation on the X-Ray Small Angle Scattering of Cellulose Fibers. Part II

High Energy Studies of Astrophysical Dust

NASA Astrophysics Data System (ADS)

Corrales, Lia Racquel

Astrophysical dust---any condensed matter ranging from tens of atoms to micron sized grains---accounts for about one third of the heavy elements produced in stars and disseminated into space. These tiny pollutants are responsible for producing the mottled appearance in the spray of light we call the "Milky Way." However these seemingly inert particles play a strong role in the physics of the interstellar medium, aiding star and planet formation, and perhaps helping to guide galaxy evolution. Most dust grains are transparent to X-ray light, leaving a signature of atomic absorption, but also scattering the light over small angles. Bright X-ray objects serendipitously situated behind large columns of dust and gas provide a unique opportunity to study the dust along the line of sight. I focus primarily on X-ray scattering through dust, which produces a diffuse halo image around a central point source. Such objects have been observed around X-ray bright Galactic binaries and extragalactic objects that happen to shine through the plane of the Milky Way. I use the Chandra X-ray Observatory, a space-based laboratory operated by NASA, which has imaging resolution ideal for studying X-ray scattering halos. I examine several bright X-ray objects with dust-free sight lines to test their viability as templates and develop a parametric model for the Chandra HETG point spread function (PSF). The PSF describes the instrument's imaging response to a point source, an understanding of which is necessary for properly measuring the surface brightness of X-ray scattering halos. I use an HETG observation of Cygnus X-3, one of the brightest objects available in the Chandra archive, to derive a dust grain size distribution. There exist degenerate solutions for the dust scattering halo, but with the aid of Bayesian analytics I am able to apply prior knowledge about the Cyg X-3 sight line to measure the relative abundance of dust in intervening Milky Way spiral arms. I also demonstrate how information from a single scattering halo can be used in conjunction with X-ray spectroscopy to directly measure the dust-to-gas mass ratio, laying the groundwork for future scattering halo surveys. Distant quasars also produce X-rays that pierce the intergalactic medium. These sources invite the unique opportunity to search for extragalactic dust, whether distributed diffusely throughout intergalactic space, surrounding other galaxies, or occupying reservoirs of cool intergalactic gas. I review X-ray scattering in a cosmological context, examining the range and sensitivity of Chandra to detect the low surface brightness levels of intergalactic scattering. Of particular interest is large "grey" dust, which would cause systematic errors in precision cosmology experiments at a level comparable to the size of the error bars sought. This requires using the more exact Mie scattering treatment, which reduces the scattering cross-section for soft X-rays by a factor of about ten, compared to the Rayleigh-Gans approximation used for interstellar X-ray scattering studies. This allows me to relax the limit on intergalactic dust imposed by previous X-ray imaging of a z=4.3 quasar, QSO 1508+5714, which overestimated the scattering intensity. After implementing the Mie solution with the cosmological integral for scattering halo intensity, I found that intergalactic dust will scatter 1-3% of soft X-ray light. Unfortunately the wings of the Chandra PSF are brighter than the surface brightness expected for these intergalactic scattering halos. The X-ray signatures of intergalactic dust may only be visible if a distant quasar suddenly dimmed by a factor of 1000 or more, leaving behind an X-ray scattering echo, or "ghost" halo.

Penetration of HIV-1 Tat47-57 into PC/PE Bilayers Assessed by MD Simulation and X-ray Scattering.

PubMed

Neale, Chris; Huang, Kun; García, Angel E; Tristram-Nagle, Stephanie

2015-09-22

The interactions of the basic, cell-penetrating region (Y47GRKKRRQRRR57) of the HIV-1 Tat protein with dioleoylphosphatidylcholine (DOPC) bilayers were previously assessed by comparing experimental X-ray diffuse scattering with atomistic molecular dynamics simulations. Here, we extend this investigation by evaluating the influence of phosphatidylethanolamine (PE) lipids. Using experimental bilayer form factors derivedfrom X-ray diffuse scattering data as a guide, our simulations indicate that Tat peptides localize close to the carbonyl-glycerol group in the headgroup region of bilayers composed of either DOPC or DOPC:DOPE (1:1) lipid. Our results also suggest that Tat peptides may more frequently insert into the hydrophobic core of bilayers composed of PC:PE (1:1) lipids than into bilayers composed entirely of PC lipids. PE lipids may facilitate peptide translocation across a lipid bilayer by stabilizing intermediate states in which hydrated peptides span the bilayer.

Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy

DOE PAGES

Olsen, Raina J.; Jin, Ke; Lu, Chenyang; ...

2015-11-23

The nature of defect clusters in Ni and Nimore » $$_{50}$$Co$$_{50}$$ (NiCo) irradiated at room temperature with 2–16 MeV Ni ions is studied using asymptotic diffuse X-ray scattering and transmission electron microscopy (TEM). Analysis of the scattering data provides separate size distributions for vacancy and interstitial type defect clusters, showing that both types of defect clusters have a smaller size and higher density in NiCo than in Ni. Diffuse scattering results show good quantitative agreement with TEM results for cluster sizes greater than 4 nm diameter, but find that the majority of vacancy clusters are under 2 nm in NiCo, which, if not detected, would lead to the conclusion that defect density was actually lower in the alloy. Interstitial dislocation loops and stacking fault tetrahedra are identified by TEM. Lastly comparison of diffuse scattering lineshapes to those calculated for dislocation loops and SFTs indicates that most of the vacancy clusters are SFTs.« less

X-ray diffuse scattering study of the kinetics of stacking fault growth and annihilation in boron-implanted silicon

NASA Astrophysics Data System (ADS)

Luebbert, D.; Arthur, J.; Sztucki, M.; Metzger, T. H.; Griffin, P. B.; Patel, J. R.

2002-10-01

Stacking faults in boron-implanted silicon give rise to streaks or rods of scattered x-ray intensity normal to the stacking fault plane. We have used the diffuse scattering rods to follow the growth of faults as a function of time when boron-implanted silicon is annealed in the range of 925 to 1025 degC. From the growth kinetics we obtain an activation energy for interstitial migration in silicon: EI=1.98plus-or-minus0.06 eV. Fault intensity and size versus time results indicate that faults do not shrink and disappear, but rather are annihilated by a dislocation reaction mechanism.

Synchrotron X-ray diffuse scattering from a stable polymorphic material: terephthalic acid, C 8 H 6 O 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goossens, D. J.; Chan, E. J.

Terephthalic acid (TPA, C 8H 6O 4) is an industrially important chemical, one that shows polymorphism and disorder. Three polymorphs are known, two triclinic [(I) and (II)] and one monoclinic (III). Of the two triclinic polymorphs, (II) has been shown to be more stable in ambient conditions. This paper presents models of the local order of polymorphs (I) and (II), and compares the single-crystal diffuse scattering (SCDS) computed from the models with that observed from real crystals. TPA shows relatively weak and less-structured diffuse scattering than some other polymorphic materials, but it does appear that the SCDS is less wellmore » modelled by a purely harmonic model in polymorph (I) than in polymorph (II), according to the idea that the diffuse scattering is sensitive to anharmonicity that presages a structural phase transition. The work here verifies that displacive correlations are strong along the molecular chains and weak laterally, and that it is not necessary to allow the —COOH groups to librate to successfully model the diffuse scattering – keeping in mind that the data are from X-ray diffraction and not directly sensitive to H atoms.« less

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

DOE PAGES

Wall, Michael E.; Van Benschoten, Andrew H.; Sauter, Nicholas K.; ...

2014-12-01

X-ray diffraction from protein crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering is limited to what is available in the mean electron density. The diffuse scattering arises from correlations in the electron density variations and therefore contains information about collective motions in proteins. Previous studies using molecular-dynamics (MD) simulations to model diffuse scattering have been hindered by insufficient sampling of the conformational ensemble. To overcome this issue, we have performed a 1.1-μs MD simulation of crystalline staphylococcal nuclease, providing 100-fold more sampling than previous studies. This simulation enables reproducible calculationsmore » of the diffuse intensity and predicts functionally important motions, including transitions among at least eight metastable states with different active-site geometries. The total diffuse intensity calculated using the MD model is highly correlated with the experimental data. In particular, there is excellent agreement for the isotropic component of the diffuse intensity, and substantial but weaker agreement for the anisotropic component. The decomposition of the MD model into protein and solvent components indicates that protein–solvent interactions contribute substantially to the overall diffuse intensity. In conclusion, diffuse scattering can be used to validate predictions from MD simulations and can provide information to improve MD models of protein motions.« less

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

PubMed Central

Wall, Michael E.; Van Benschoten, Andrew H.; Sauter, Nicholas K.; Adams, Paul D.; Fraser, James S.; Terwilliger, Thomas C.

2014-01-01

X-ray diffraction from protein crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering is limited to what is available in the mean electron density. The diffuse scattering arises from correlations in the electron density variations and therefore contains information about collective motions in proteins. Previous studies using molecular-dynamics (MD) simulations to model diffuse scattering have been hindered by insufficient sampling of the conformational ensemble. To overcome this issue, we have performed a 1.1-μs MD simulation of crystalline staphylococcal nuclease, providing 100-fold more sampling than previous studies. This simulation enables reproducible calculations of the diffuse intensity and predicts functionally important motions, including transitions among at least eight metastable states with different active-site geometries. The total diffuse intensity calculated using the MD model is highly correlated with the experimental data. In particular, there is excellent agreement for the isotropic component of the diffuse intensity, and substantial but weaker agreement for the anisotropic component. Decomposition of the MD model into protein and solvent components indicates that protein–solvent interactions contribute substantially to the overall diffuse intensity. We conclude that diffuse scattering can be used to validate predictions from MD simulations and can provide information to improve MD models of protein motions. PMID:25453071

In Situ Three-Dimensional Reciprocal-Space Mapping of Diffuse Scattering Intensity Distribution and Data Analysis for Precursor Phenomenon in Shape-Memory Alloy

NASA Astrophysics Data System (ADS)

Cheng, Tian-Le; Ma, Fengde D.; Zhou, Jie E.; Jennings, Guy; Ren, Yang; Jin, Yongmei M.; Wang, Yu U.

2012-01-01

Diffuse scattering contains rich information on various structural disorders, thus providing a useful means to study the nanoscale structural deviations from the average crystal structures determined by Bragg peak analysis. Extraction of maximal information from diffuse scattering requires concerted efforts in high-quality three-dimensional (3D) data measurement, quantitative data analysis and visualization, theoretical interpretation, and computer simulations. Such an endeavor is undertaken to study the correlated dynamic atomic position fluctuations caused by thermal vibrations (phonons) in precursor state of shape-memory alloys. High-quality 3D diffuse scattering intensity data around representative Bragg peaks are collected by using in situ high-energy synchrotron x-ray diffraction and two-dimensional digital x-ray detector (image plate). Computational algorithms and codes are developed to construct the 3D reciprocal-space map of diffuse scattering intensity distribution from the measured data, which are further visualized and quantitatively analyzed to reveal in situ physical behaviors. Diffuse scattering intensity distribution is explicitly formulated in terms of atomic position fluctuations to interpret the experimental observations and identify the most relevant physical mechanisms, which help set up reduced structural models with minimal parameters to be efficiently determined by computer simulations. Such combined procedures are demonstrated by a study of phonon softening phenomenon in precursor state and premartensitic transformation of Ni-Mn-Ga shape-memory alloy.

Fine Structure of Diffuse Scattering Rings in Al-Li-Cu Quasicrystal: A Comparative X-ray and Electron Diffraction Study

NASA Astrophysics Data System (ADS)

Donnadieu, P.; Dénoyer, F.

1996-11-01

A comparative X-ray and electron diffraction study has been performed on Al-Li-Cu icosahedral quasicrystal in order to investigate the diffuse scattering rings revealed by a previous work. Electron diffraction confirms the existence of rings but shows that the rings have a fine structure. The diffuse aspect on the X-ray diffraction patterns is then due to an averaging effect. Recent simulations based on the model of canonical cells related to the icosahedral packing give diffractions patterns in agreement with this fine structure effect. Nous comparons les diagrammes de diffraction des rayon-X et des électrons obtenus sur les mêmes échantillons du quasicristal icosaèdrique Al-Li-Cu. Notre but est d'étudier les anneaux de diffusion diffuse mis en évidence par un travail précédent. Les diagrammes de diffraction électronique confirment la présence des anneaux mais ils montrent aussi que ces anneaux possèdent une structure fine. L'aspect diffus des anneaux révélés par la diffraction des rayons X est dû à un effet de moyenne. Des simulations récentes basées sur la décomposition en cellules canoniques de l'empilement icosaédrique produisent des diagrammes de diffraction en accord avec ces effects de structure fine.

Soft x-ray speckle from rough surfaces

NASA Astrophysics Data System (ADS)

Porter, Matthew Stanton

Dynamic light scattering has been of great use in determining diffusion times for polymer solutions. At the same time, polymer thin films are becoming of increasing importance, especially in the semiconductor industry where they are used as photoresists and interlevel dielectrics. As the dimensions of these devices decrease we will reach a point where lasers will no longer be able to probe the length scales of interest. Current laser wavelengths limit the size of observable diffusion lengths to 180-700 nm. This dissertation will discuss attempts at pushing dynamic fight scattering experiments into the soft x-ray region so that we can examine fluctuations in polymer thin films on the molecular length scale. The dissertation explores the possibility of carrying out a dynamic light scattering experiment in the soft x-ray regime. A detailed account of how to meet the basic requirements for a coherent scattering experiment in the soft x-ray regime win be given. In addition, a complete description of the chamber design will be discussed. We used our custom designed scattering chamber to collect reproducible coherent soft x-ray scattering data from etched silicon wafers and from polystyrene coated silicon wafers. The data from the silicon wafers followed the statistics for a well-developed speckle pattern while the data from the polystyrene films exhibited Poisson statistics. We used the data from both the etched wafers and the polystyrene coated wafers to place a lower limit of ~20 Å on the RMS surface roughness of samples which will produce well defined speckle patterns for the current detector setup. Future experiments which use the criteria set forth in this dissertation have the opportunity to be even more successful than this dissertation project.

Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C60ṡC8H8

NASA Astrophysics Data System (ADS)

Bousige, Colin; Rols, Stéphane; Cambedouzou, Julien; Verberck, Bart; Pekker, Sándor; Kováts, Éva; Durkó, Gábor; Jalsovsky, István; Pellegrini, Éric; Launois, Pascale

2010-11-01

The dynamics of fullerene-cubane (C60ṡC8H8) cocrystal is studied combining experimental [x-ray diffuse scattering, quasielastic and inelastic neutron scattering (INS)] and simulation (molecular dynamics) investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the “rotor-stator” description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism.

Impact of Interfacial Roughness on the Sorption Properties of Nanocast Polymers

DOE PAGES

Sridhar, Manasa; Gunugunuri, Krishna R.; Hu, Naiping; ...

2016-03-16

Nanocasting is an emerging method to prepare organic polymers with regular, nanometer pores using inorganic templates. This report assesses the impact of imperfect template replication on the sorption properties of such polymer castings. Existing X-ray diffraction data show that substantial diffuse scattering exists in the small-angle region even though TEM images show near perfect lattices of uniform pores. To assess the origin of the diffuse scattering, the morphology of the phenol - formaldehyde foams (PFF) was investigated by small-angle X-ray scattering (SAXS). The observed diffuse scattering is attributed to interfacial roughness due to fractal structures. Such roughness has a profoundmore » impact on the sorption properties. Conventional pore- filling models, for example, overestimate protein sorption capacity. A mathematical framework is presented to calculate sorption properties based on observed morphological parameters. The formalism uses the surface fractal dimension determined by SAXS in conjunction with nitrogen adsorption isotherms to predict lysozyme sorption. The results are consistent with measured lysozyme loading.« less

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

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

Agglomeration dynamics of germanium islands on a silicon oxide substrate: A grazing incidence small-angle x-ray scattering study

NASA Astrophysics Data System (ADS)

Cheynis, F.; Leroy, F.; Passanante, T.; Müller, P.

2013-04-01

Grazing-incidence small-angle X-ray scattering (GISAXS) and grazing-incidence X-ray diffraction techniques are used to characterise the thermally induced solid-state dewetting of Ge(001) thin films leading to the formation of 3D Ge islands. A quantitative analysis based on the Kolmogorov-Johnson-Mehl-Avrami model is derived. The main physical parameters controlling the dewetting (activation energy and kinetic pre-factors) are determined. Assuming that the dewetting is driven by surface/interface minimisation and limited by surface diffusion, the Ge surface self-diffusion reads as Ds ,0c0 e-Ea/(kBT) ˜3×1018 e-2.6±0.3eV/(kBT) nm2/s. GISAXS technique enables to reconstruct the mean Ge-island shape, including facets.

Explaining the Effect of a Grid by Using an Optical Analog to an X-ray Radiographic Imaging System

ERIC Educational Resources Information Center

Honnicke, M. G.; Gavinho, L.; Cusatis, C.

2008-01-01

Compton scattering and diffuse scattering degenerate the contrast in radiographic images. To avoid such scattering effects, a grid, between the patient and the film is currently used to improve the image quality. Teaching this topic to medical physics students requires demonstration experiments. In this paper, an optical analog to an x-ray…

Single Crystal Diffuse Neutron Scattering

DOE PAGES

Welberry, Richard; Whitfield, Ross

2018-01-11

Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. Here, we compare three different instruments that have been used bymore » us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.« less

Single Crystal Diffuse Neutron Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Welberry, Richard; Whitfield, Ross

Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. Here, we compare three different instruments that have been used bymore » us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.« less

A novel multi-detection technique for three-dimensional reciprocal-space mapping in grazing-incidence X-ray diffraction.

PubMed

Schmidbauer, M; Schäfer, P; Besedin, S; Grigoriev, D; Köhler, R; Hanke, M

2008-11-01

A new scattering technique in grazing-incidence X-ray diffraction geometry is described which enables three-dimensional mapping of reciprocal space by a single rocking scan of the sample. This is achieved by using a two-dimensional detector. The new set-up is discussed in terms of angular resolution and dynamic range of scattered intensity. As an example the diffuse scattering from a strained multilayer of self-assembled (In,Ga)As quantum dots grown on GaAs substrate is presented.

Phonon Mapping in Flowing Equilibrium

NASA Astrophysics Data System (ADS)

Ruff, J. P. C.

2015-03-01

When a material conducts heat, a modification of the phonon population occurs. The equilibrium Bose-Einstein distribution is perturbed towards flowing-equilibrium, for which the distribution function is not analytically known. Here I argue that the altered phonon population can be efficiently mapped over broad regions of reciprocal space, via diffuse x-ray scattering or time-of-flight neutron scattering, while a thermal gradient is applied across a single crystal sample. When compared to traditional transport measurements, this technique offers a superior, information-rich new perspective on lattice thermal conductivity, wherein the band and momentum dependences of the phonon thermal current are directly resolved. The proposed method is benchmarked using x-ray thermal diffuse scattering measurements of single crystal diamond under transport conditions. CHESS is supported by the NSF & NIH/NIGMS via NSF Award DMR-1332208.

Spectral softening in the X-RAY afterglow of GRB 130925A as predicted by the dust scattering model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Yi-Nan; Shao, Lang, E-mail: lshao@hebtu.edu.cn

2014-07-01

Gamma-ray bursts (GRBs) usually occur in a dense star-forming region with a massive circumburst medium. The small-angle scattering of intense prompt X-ray emission off the surrounding dust grains will have observable consequences and sometimes can dominate the X-ray afterglow. In most of the previous studies, only the Rayleigh-Gans (RG) approximation is employed for describing the scattering process, which works accurately for the typical size of grains (with radius of a ≤ 0.1 μm) in the diffuse interstellar medium. When the size of the grains may significantly increase, as in a more dense region where GRBs would occur, the RG approximationmore » may not be valid enough for modeling detailed observational data. In order to study the temporal and spectral properties of the scattered X-ray emission more accurately with potentially larger dust grains, we provide a practical approach using the series expansions of anomalous diffraction (AD) approximation based on the complicated Mie theory. We apply our calculations to understand the puzzling X-ray afterglow of recently observed GRB 130925A that showed a significant spectral softening. We find that the X-ray scattering scenarios with either AD or RG approximation adopted could well reproduce both the temporal and spectral profile simultaneously. Given the plateau present in the early X-ray light curve, a typical distribution of smaller grains as in the interstellar medium would be suggested for GRB 130925A.« less

Spectral Softening in the X-Ray Afterglow of GRB 130925A as Predicted by the Dust Scattering Model

NASA Astrophysics Data System (ADS)

Zhao, Yi-Nan; Shao, Lang

2014-07-01

Gamma-ray bursts (GRBs) usually occur in a dense star-forming region with a massive circumburst medium. The small-angle scattering of intense prompt X-ray emission off the surrounding dust grains will have observable consequences and sometimes can dominate the X-ray afterglow. In most of the previous studies, only the Rayleigh-Gans (RG) approximation is employed for describing the scattering process, which works accurately for the typical size of grains (with radius of a <= 0.1 μm) in the diffuse interstellar medium. When the size of the grains may significantly increase, as in a more dense region where GRBs would occur, the RG approximation may not be valid enough for modeling detailed observational data. In order to study the temporal and spectral properties of the scattered X-ray emission more accurately with potentially larger dust grains, we provide a practical approach using the series expansions of anomalous diffraction (AD) approximation based on the complicated Mie theory. We apply our calculations to understand the puzzling X-ray afterglow of recently observed GRB 130925A that showed a significant spectral softening. We find that the X-ray scattering scenarios with either AD or RG approximation adopted could well reproduce both the temporal and spectral profile simultaneously. Given the plateau present in the early X-ray light curve, a typical distribution of smaller grains as in the interstellar medium would be suggested for GRB 130925A.

Diffuse X-ray scattering from benzil, C(14)H(10)O(2): analysis via automatic refinement of a Monte Carlo model.

PubMed

Welberry, T R; Goossens, D J; Edwards, A J; David, W I

2001-01-01

A recently developed method for fitting a Monte Carlo computer-simulation model to observed single-crystal diffuse X-ray scattering has been used to study the diffuse scattering in benzil, diphenylethanedione, C(6)H(5)-CO-CO-C(6)H(5). A model involving 13 parameters consisting of 11 intermolecular force constants, a single intramolecular torsional force constant and a local Debye-Waller factor was refined to give an agreement factor, R = [summation operator omega(Delta I)(2)/summation operator omega I(obs)(2)](1/2), of 14.5% for 101,324 data points. The model was purely thermal in nature. The analysis has shown that the diffuse lines, which feature so prominently in the observed diffraction patterns, are due to strong longitudinal displacement correlations. These are transmitted from molecule to molecule via a network of contacts involving hydrogen bonding of an O atom on one molecule and the para H atom of the phenyl ring of a neighbouring molecule. The analysis also allowed the determination of a torsional force constant for rotations about the single bonds in the molecule. This is the first diffuse scattering study in which measurement of such internal molecular torsion forces has been attempted.

Discovery of Diffuse Hard X-ray Emission associated with Jupiter

NASA Astrophysics Data System (ADS)

Ezoe, Y.; Miyoshi, Y.; Ishikawa, K.; Ohashi, T.; Terada, N.; Uchiyama, Y.; Negoro, H.

2009-12-01

Our discovery of diffuse hard (1-5 keV) X-ray emission around Jupiter is reported. Recent Chandra and XMM-Newton observations revealed several types of X-rays in the vicinity of Jupiter such as auroral and disk emission from Jupiter and faint diffuse X-rays from the Io Plasma Torus (see Bhardwaj et al. 2007 for review). To investigate possible diffuse hard X-ray emission around Jupiter with the highest sensitivity, we conducted data analysis of Suzaku XIS observations of Jupiter on Feb 2006. After removing satellite and planetary orbital motions, we detected a significant diffuse X-ray emission extending to ~6 x 3 arcmin with the 1-5 keV X-ray luminosity of ~3e15 erg/s. The emitting region very well coincided with the Jupiter's radiation belts. The 1-5 keV X-ray spectrum was represented by a simple power law model with a photon index of 1.4. Such a flat continuum strongly suggests non-thermal origin. Although such an emission can be originated from multiple background point sources, its possibility is quite low. We hence examined three mechanisms, assuming that the emission is truly diffuse: bremsstrahlung by keV electrons, synchrotron emission by TeV electrons, and inverse Compton scattering of solar photons by MeV electrons. The former two can be rejected because of the X-ray spectral shape and implausible existence of TeV electrons around Jupiter, respectively. The last possibility was found to be possible because tens MeV electrons, which have been confirmed in inner radiation belts (Bolton et al. 2002), can kick solar photons to the keV energy range and provide a simple power-law continuum. We estimated an average electron density from the X-ray luminosity assuming the oblate spheroid shaped emitting region with 8 x 8 x 4 Jovian radii. The necessary density was 0.02 1/cm3 for 50 MeV electrons. Hence, our results may suggest a new particle acceleration phenomenon around Jupiter.

X-ray analysis of temperature induced defect structures in boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Kegel, I.; Tilke, A.; Rouvière, J. L.; Lübbert, D.; Arthur, J.; Patel, J. R.

2002-10-01

We demonstrate the application of surface sensitive diffuse x-ray scattering under the condition of grazing incidence and exit angles to investigate growth and dissolution of near-surface defects after boron implantation in silicon(001) and annealing. Silicon wafers were implanted with a boron dose of 6×1015 ions/cm2 at 32 keV and went through different annealing treatments. From the diffuse intensity close to the (220) surface Bragg peak we reveal the nature and kinetic behavior of the implantation induced defects. Analyzing the q dependence of the diffuse scattering, we are able to distinguish between point defect clusters and extrinsic stacking faults on {111} planes. Characteristic for stacking faults are diffuse x-ray intensity streaks along <111> directions, which allow for the determination of their growth and dissolution kinetics. For the annealing conditions of our crystals, we conclude that the kinetics of growth can be described by an Ostwald ripening model in which smaller faults shrink at the expense of the larger stacking faults. The growth is found to be limited by the self-diffusion of silicon interstitials. After longer rapid thermal annealing the stacking faults disappear almost completely without shrinking, most likely by transformation into perfect loops via a dislocation reaction. This model is confirmed by complementary cross-sectional transmission electron microscopy.

Einstein observations of the X-ray structure of Centaurus A - Evidence for the radio-lobe energy source

NASA Technical Reports Server (NTRS)

Schreier, E. J.; Feigelson, E.; Delvaille, J.; Giacconi, R.; Grindlay, J.; Schwartz, D. A.; Fabian, A. C.

1979-01-01

The X-ray source at the center of the radio galaxy Centaurus A has been resolved into the following components with the imaging detectors on board the Einstein X-ray Observatory: (1) a point source coincident with the infrared nucleus; (2) diffuse X-ray emission coinciding with the inner radio lobes; (3) a 4-arcmin extended region of emission about the nucleus; and (4) an X-ray jet between the nucleus and the NE inner radio lobe. The 2 x 10 to the 39th ergs/s detected from the radio lobes probably arises from inverse Compton scattering of the microwave background. The average magnetic field in the SW lobe is determined to be not less than 4 microgauss. The extended region may be due to emission by a cloud of hot gas, cosmic-ray scattering, or stellar sources. The jet provides strong evidence for the continuous resupply of energy to the lobes from the nucleus.

Diffusion mechanism in the sodium-ion battery material sodium cobaltate.

PubMed

Willis, T J; Porter, D G; Voneshen, D J; Uthayakumar, S; Demmel, F; Gutmann, M J; Roger, M; Refson, K; Goff, J P

2018-02-16

High performance batteries based on the movement of Li ions in Li x CoO 2 have made possible a revolution in mobile electronic technology, from laptops to mobile phones. However, the scarcity of Li and the demand for energy storage for renewables has led to intense interest in Na-ion batteries, including structurally-related Na x CoO 2 . Here we have determined the diffusion mechanism for Na 0.8 CoO 2 using diffuse x-ray scattering, quasi-elastic neutron scattering and ab-initio molecular dynamics simulations, and we find that the sodium ordering provides diffusion pathways and governs the diffusion rate. Above T ~ 290 K the so-called partially disordered stripe superstructure provides channels for quasi-1D diffusion, and melting of the sodium ordering leads to 2D superionic diffusion above T ~ 370 K. We obtain quantitative agreement between our microscopic study of the hopping mechanism and bulk self-diffusion measurements. Our approach can be applied widely to other Na- or Li-ion battery materials.

Synchrotron x-ray thermal diffuse scattering probes for phonons in Si/SiGe/Si trilayer nanomembranes

DOE PAGES

McElhinny, Kyle M.; Gopalakrishnan, Gokul; Savage, Donald E.; ...

2016-05-17

Nanostructures offer the opportunity to control the vibrational properties of via the scattering of phonons due to boundaries and mass disorder as well as through changes in the phonon dispersion due to spatial confinement. Advances in understanding these effects have the potential to lead to thermoelectrics with an improved figure of merit by lowering the thermal conductivity and to provide insight into electron-phonon scattering rates in nanoelectronics. However, characterizing the phonon population in nanomaterials has been challenging because of their small volume and because optical techniques probe only a small fraction of reciprocal space. Recent developments in x-ray scattering nowmore » allow the phonon population to be evaluated across all of reciprocal space in samples with volumes as small as several cubic micrometers. We apply this approach, synchrotron x-ray thermal diffuse scattering (TDS), to probe the population of phonons within a Si/SiGe/Si trilayer nanomembrane. The distributions of scattered intensity from Si/SiGe/Si trilayer nanomembranes and Si nanomembranes with uniform composition are qualitatively similar, with features arising from the elastic anisotropy of the diamond structure. The TDS signal for the Si/SiGe/Si nanomembrane, however, has higher intensity than the Si membrane of the same total thickness by approximately 3.75%. Possible origins of the enhancement in scattering from SiGe in comparison with Si include the larger atomic scattering factor of Ge atoms within the SiGe layer or reduced phonon frequencies due to alloying.« less

Characterization of SiGe thin films using a laboratory X-ray instrument

PubMed Central

Ulyanenkova, Tatjana; Myronov, Maksym; Benediktovitch, Andrei; Mikhalychev, Alexander; Halpin, John; Ulyanenkov, Alex

2013-01-01

The technique of reciprocal space mapping using X-rays is a recognized tool for the nondestructive characterization of epitaxial films. X-ray scattering from epitaxial Si0.4Ge0.6 films on Si(100) substrates using a laboratory X-ray source was investigated. It is shown that a laboratory source with a rotating anode makes it possible to investigate the material parameters of the super-thin 2–6 nm layers. For another set of partially relaxed layers, 50–200 nm thick, it is shown that from a high-resolution reciprocal space map, conditioned from diffuse scattering on dislocations, it is possible to determine quantitatively from the shape of a diffraction peak (possessing no thickness fringes) additional parameters such as misfit dislocation density and layer thickness as well as concentration and relaxation. PMID:24046495

Characterization of SiGe thin films using a laboratory X-ray instrument.

PubMed

Ulyanenkova, Tatjana; Myronov, Maksym; Benediktovitch, Andrei; Mikhalychev, Alexander; Halpin, John; Ulyanenkov, Alex

2013-08-01

The technique of reciprocal space mapping using X-rays is a recognized tool for the nondestructive characterization of epitaxial films. X-ray scattering from epitaxial Si 0.4 Ge 0.6 films on Si(100) substrates using a laboratory X-ray source was investigated. It is shown that a laboratory source with a rotating anode makes it possible to investigate the material parameters of the super-thin 2-6 nm layers. For another set of partially relaxed layers, 50-200 nm thick, it is shown that from a high-resolution reciprocal space map, conditioned from diffuse scattering on dislocations, it is possible to determine quantitatively from the shape of a diffraction peak (possessing no thickness fringes) additional parameters such as misfit dislocation density and layer thickness as well as concentration and relaxation.

X-Ray Investigation of the Diffuse Emission around Plausible γ-Ray Emitting Pulsar Wind Nebulae in Kookaburra Region

NASA Astrophysics Data System (ADS)

Kishishita, Tetsuichi; Bamba, Aya; Uchiyama, Yasunobu; Tanaka, Yasuyuki; Takahashi, Tadayuki

2012-05-01

We report on the results from Suzaku X-ray observations of the radio complex region called Kookaburra, which includes two adjacent TeV γ-ray sources HESS J1418-609 and HESS J1420-607. The Suzaku observation revealed X-ray diffuse emission around a middle-aged pulsar PSR J1420-6048 and a plausible pulsar wind nebula (PWN) Rabbit with elongated sizes of σX = 1farcm66 and σX = 1farcm49, respectively. The peaks of the diffuse X-ray emission are located within the γ-ray excess maps obtained by H.E.S.S. and the offsets from the γ-ray peaks are 2farcm8 for PSR J1420-6048 and 4farcm5 for Rabbit. The X-ray spectra of the two sources were well reproduced by absorbed power-law models with Γ = 1.7-2.3. The spectral shapes tend to become softer according to the distance from the X-ray peaks. Assuming the one-zone electron emission model as the first-order approximation, the ambient magnetic field strengths of HESS J1420-607 and HESS J1418-609 can be estimated as 3 μG and 2.5 μG, respectively. The X-ray spectral and spatial properties strongly support that both TeV sources are PWNe, in which electrons and positrons accelerated at termination shocks of the pulsar winds are losing their energies via the synchrotron radiation and inverse Compton scattering as they are transported outward.

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

DOE PAGES

Mei, A. B.; Hellman, O.; Schlepuetz, C. M.; ...

2015-11-03

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

Nanospheres with a smectic hydrophobic core and an amorphous PEG hydrophilic shell: structural changes and implications for drug delivery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murthy, N. Sanjeeva; Zhang, Zheng; Borsadia, Siddharth

The structural changes in nanospheres with a crystalline core and an amorphous diffuse shell were investigated by small-angle neutron scattering (SANS), small-, medium-, and wide-angle X-ray scattering (SAXS, MAXS and WAXS), and differential scanning calorimetry (DSC).

Topographic measurement of buried thin-film interfaces using a grazing resonant soft x-ray scattering technique

NASA Astrophysics Data System (ADS)

Gann, Eliot; Watson, Anne; Tumbleston, John R.; Cochran, Justin; Yan, Hongping; Wang, Cheng; Seok, Jaewook; Chabinyc, Michael; Ade, Harald

2014-12-01

The internal structures of thin films, particularly interfaces between different materials, are critical to system properties and performance across many disciplines, but characterization of buried interface topography is often unfeasible. In this work, we demonstrate that grazing resonant soft x-ray scattering (GRSoXS), a technique measuring diffusely scattered soft x rays from grazing incidence, can reveal the statistical topography of buried thin-film interfaces. By controlling and predicting the x-ray electric field intensity throughout the depth of the film and simultaneously the scattering contrast between materials, we are able to unambiguously identify the microstructure at different interfaces of a model polymer bilayer system. We additionally demonstrate the use of GRSoXS to selectively measure the topography of the surface and buried polymer-polymer interface in an organic thin-film transistor, revealing different microstructure and markedly differing evolution upon annealing. In such systems, where only indirect control of interface topography is possible, accurate measurement of the structure of interfaces for feedback is critically important. While we demonstrate the method here using organic materials, we also show that the technique is readily extendable to any thin-film system with elemental or chemical contrasts exploitable at absorption edges.

Dewetting of thin polymer films: an X-ray scattering study

NASA Astrophysics Data System (ADS)

Müller-Buschbaum, P.; Stamm, M.

1998-06-01

The surface morphology of different dewetting states of thin polymer films (polystyrene) on top of silicon substrates was investigated. With diffuse X-ray scattering in the region of total external reflection a high in-plane resolution was achieved. We observe a new nano-dewetting structure which coexists with the well known mesoscopic dewetting structures of holes, cellular pattern and drops. This nano-dewetting structure consists of small dimples with a diameter in the nanometer range. It results from the dewetting of a remaining ultra-thin polymer layer and can be explained with theoretical predictions of spinodal decomposition. The experimental results of the scattering study are confirmed with scanning-force microscopy measurements.

Comptonization of X-rays by low-temperature electrons. [photon wavelength redistribution in cosmic sources

NASA Technical Reports Server (NTRS)

Illarionov, A.; Kallman, T.; Mccray, R.; Ross, R.

1979-01-01

A method is described for calculating the spectrum that results from the Compton scattering of a monochromatic source of X-rays by low-temperature electrons, both for initial-value relaxation problems and for steady-state spatial diffusion problems. The method gives an exact solution of the inital-value problem for evolution of the spectrum in an infinite homogeneous medium if Klein-Nishina corrections to the Thomson cross section are neglected. This, together with approximate solutions for problems in which Klein-Nishina corrections are significant and/or spatial diffusion occurs, shows spectral structure near the original photon wavelength that may be used to infer physical conditions in cosmic X-ray sources. Explicit results, shown for examples of time relaxation in an infinite medium and spatial diffusion through a uniform sphere, are compared with results obtained by Monte Carlo calculations and by solving the appropriate Fokker-Planck equation.

Liquid Dynamics in high melting materials studied by inelastic X-ray scattering

NASA Astrophysics Data System (ADS)

Sinn, Harald; Alatas, Ahmet; Said, Ayman; Alp, Esen E.; Price, David L.; Saboungi, Marie Louis; Scheunemann, Richard

2004-03-01

The transport properties of high melting materials are of interest for a variety of applications, including geo-sciences, nuclear waste confinement and aerospace technology. While traditional methods of measuring transport properties are often extremely difficult due to the high reactivity of the melts, the combination of containerless levitation and inelastic X-ray scattering offers new insights in the microscopic dynamics of these liquids. Data on the dynamic structure factor of liquid aluminum oxide and liquid boron between 2000-2800 degree Celsius are discussed and related to several macroscopic quantities like sound velocity, viscosity and diffusion.

Dynamic Displacement Disorder of Cubic BaTiO3

NASA Astrophysics Data System (ADS)

Paściak, M.; Welberry, T. R.; Kulda, J.; Leoni, S.; Hlinka, J.

2018-04-01

The three-dimensional distribution of the x-ray diffuse scattering intensity of BaTiO3 has been recorded in a synchrotron experiment and simultaneously computed using molecular dynamics simulations of a shell model. Together, these have allowed the details of the disorder in paraelectric BaTiO3 to be clarified. The narrow sheets of diffuse scattering, related to the famous anisotropic longitudinal correlations of Ti ions, are shown to be caused by the overdamped anharmonic soft phonon branch. This finding demonstrates that the occurrence of narrow sheets of diffuse scattering agrees with a displacive picture of the cubic phase of this textbook ferroelectric material. The presented methodology allows one to go beyond the harmonic approximation in the analysis of phonons and phonon-related scattering.

Indium diffusion through high-k dielectrics in high-k/InP stacks

NASA Astrophysics Data System (ADS)

Dong, H.; Cabrera, W.; Galatage, R. V.; Santosh KC, Brennan, B.; Qin, X.; McDonnell, S.; Zhernokletov, D.; Hinkle, C. L.; Cho, K.; Chabal, Y. J.; Wallace, R. M.

2013-08-01

Evidence of indium diffusion through high-k dielectric (Al2O3 and HfO2) films grown on InP (100) by atomic layer deposition is observed by angle resolved X-ray photoelectron spectroscopy and low energy ion scattering spectroscopy. The analysis establishes that In-out diffusion occurs and results in the formation of a POx rich interface.

Resonant magnetic scattering of polarized soft x rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sacchi, M.; Hague, C.F.; Gullikson, E.M.

1997-04-01

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

Diffuse scattering measurements of static atomic displacements in crystalline binary solid solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ice, G.E.; Sparks, C.J.; Jiang, X.

1997-09-01

Diffuse x-ray scattering from crystalline solid solutions is sensitive to both local chemical order and local bond distances. In short-range ordered alloys, fluctuations of chemistry and bond distances break the long-range symmetry of the crystal within a local region and contribute to the total energy of the alloy. Recent use of tunable synchrotron radiation to change the x-ray scattering contrast between elements has greatly advanced the measurement of bond distances between the three kinds of atom pairs found in crystalline binary alloys. The estimated standard deviation on these recovered static displacements approaches {+-}0.001 {angstrom} (0.0001 nm) which is an ordermore » of magnitude more precise than obtained with EXAFS. In addition, both the radial and tangential displacements can be recovered to five near neighbors and beyond. These static displacement measurements provide new information which challenges the most advanced theoretical models of binary crystalline alloys. 29 refs., 8 figs., 2 tabs.« less

Diffuse scattering in relaxor ferroelectrics: true three-dimensional mapping, experimental artefacts and modelling.

PubMed

Bosak, A; Chernyshov, D; Vakhrushev, Sergey; Krisch, M

2012-01-01

The available body of experimental data in terms of the relaxor-specific component of diffuse scattering is critically analysed and a collection of related models is reviewed; the sources of experimental artefacts and consequent failures of modelling efforts are enumerated. Furthermore, it is shown that the widely used concept of polar nanoregions as individual static entities is incompatible with the experimental diffuse scattering results. Based on the synchrotron diffuse scattering three-dimensional data set taken for the prototypical ferroelectric relaxor lead magnesium niobate-lead titanate (PMN-PT), a new parameterization of diffuse scattering in relaxors is presented and a simple phenomenological picture is proposed to explain the unusual properties of the relaxor behaviour. The model assumes a specific slowly changing displacement pattern, which is indirectly controlled by the low-energy acoustic phonons of the system. The model provides a qualitative but rather detailed explanation of temperature, pressure and electric-field dependence of diffuse neutron and X-ray scattering, as well as of the existence of a hierarchy in the relaxation times of these materials.

2011 U.S. National School on Neutron and X-ray Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lang, Jonathan; te Vethuis, Suzanne; Ekkebus, Allen E

The 13th annual U.S. National School on Neutron and X-ray Scattering was held June 11 to 25, 2011, at both Oak Ridge and Argonne National Laboratories. This school brought together 65 early career graduate students from 56 different universities in the US and provided them with a broad introduction to the techniques available at the major large-scale neutron and synchrotron x-ray facilities. This school is focused primarily on techniques relevant to the physical sciences, but also touches on cross-disciplinary bio-related scattering measurements. During the school, students received lectures by over 30 researchers from academia, industry, and national laboratories and participatedmore » in a number of short demonstration experiments at Argonne's Advanced Photon Source (APS) and Oak Ridge's Spallation neutron Source (SNS) and High Flux Isotope Reactor (HFIR) facilities to get hands-on experience in using neutron and synchrotron sources. The first week of this year's school was held at Oak Ridge National Lab, where Lab director Thom Mason welcomed the students and provided a shitorical perspective of the neutron and x-ray facilities both at Oak Ridge and Argonne. The first few days of the school were dedicated to lectures laying out the basics of scattering theory and the differences and complementarity between the neutron and x-ray probes given by Sunil Sinha. Jack Carpenter provided an introduction into how neutrons are generated and detected. After this basic introduction, the students received lectures each morning on specific techniques and conducted demonstration experiments each afternoon on one of 15 different instruments at either the SNS or HFIR. Some of the topics covered during this week of the school included inelastic neutron scattering by Bruce Gaulin, x-ray and neutron reflectivity by Chuck Majkrazak, small-angle scattering by Volker Urban, powder diffraction by Ashfia Huq and diffuse scattering by Gene Ice.« less

The Penrose photoproduction scenario for NGC 4151: A black hole gamma-ray emission mechanism for active galactic nuclei and Seyfert galaxies. [Compton scattering and pair production

NASA Technical Reports Server (NTRS)

Leiter, D.

1979-01-01

A consistent theoretical interpretation is given for the suggestion that a steepening of the spectrum between X-ray and gamma ray energies may be a general, gamma-ray characteristic of Seyfert galaxies, if the diffuse gamma ray spectrum is considered to be a superposition of unresolved contributions, from one or more classes of extragalactic objects. In the case of NGC 4151, the dominant process is shown to be Penrose Compton scattering in the ergosphere of a Kerr black hole, assumed to exist in the Seyfert's active galactic nucleus.

Deep Chandra Observations of ESO 428-G014. II. Spectral Properties and Morphology of the Large-scale Extended X-Ray Emission

NASA Astrophysics Data System (ADS)

Fabbiano, G.; Paggi, A.; Karovska, M.; Elvis, M.; Maksym, W. P.; Risaliti, G.; Wang, Junfeng

2018-03-01

We present a deep Chandra spectral and spatial study of the kpc-scale diffuse X-ray emission of the Compton-thick (CT) active galactic nucleus (AGN) ESO 428-G014. The entire spectrum is best fit with composite photoionization + thermal models. The diffuse emission is more extended at lower energies (<3 keV). The smaller extent of the hard continuum and Fe Kα profiles implies that the optically thicker clouds responsible for this scattering may be relatively more prevalent closer to the nucleus. These clouds must not prevent soft ionizing X-rays from the AGN escaping to larger radii, in order to have photoionized ISM at larger radii. This suggests that at smaller radii, there may be a larger population of molecular clouds to scatter the hard X-rays, as in the Milky Way. The diffuse emission is also significantly extended in the cross-cone direction, where the AGN emission would be mostly obscured by the torus in the standard AGN model. Our results suggest that the transmission of the obscuring region in the cross-cone direction is ∼10% of that in the cone direction. In the 0.3–1.5 keV band, the ratio of cross-cone to cone photons increases to ∼84%, suggesting an additional soft diffuse emission component disjoint from the AGN. This could be due to hot ISM trapped in the potential of the galaxy. The luminosity of this component, ∼5 × 1038 erg s‑1, is roughly consistent with the thermal component suggested by the spectral fits in the 170–900 pc annulus.

Geant4 simulations of soft proton scattering in X-ray optics. A tentative validation using laboratory measurements

NASA Astrophysics Data System (ADS)

Fioretti, Valentina; Mineo, Teresa; Bulgarelli, Andrea; Dondero, Paolo; Ivanchenko, Vladimir; Lei, Fan; Lotti, Simone; Macculi, Claudio; Mantero, Alfonso

2017-12-01

Low energy protons (< 300 keV) can enter the field of view of X-ray telescopes, scatter on their mirror surfaces at small incident angles, and deposit energy on the detector. This phenomenon can cause intense background flares at the focal plane decreasing the mission observing time (e.g. the XMM-Newton mission) or in the most extreme cases, damaging the X-ray detector. A correct modelization of the physics process responsible for the grazing angle scattering processes is mandatory to evaluate the impact of such events on the performance (e.g. observation time, sensitivity) of future X-ray telescopes as the ESA ATHENA mission. The Remizovich model describes particles reflected by solids at glancing angles in terms of the Boltzmann transport equation using the diffuse approximation and the model of continuous slowing down in energy. For the first time this solution, in the approximation of no energy losses, is implemented, verified, and qualitatively validated on top of the Geant4 release 10.2, with the possibility to add a constant energy loss to each interaction. This implementation is verified by comparing the simulated proton distribution to both the theoretical probability distribution and with independent ray-tracing simulations. Both the new scattering physics and the Coulomb scattering already built in the official Geant4 distribution are used to reproduce the latest experimental results on grazing angle proton scattering. At 250 keV multiple scattering delivers large proton angles and it is not consistent with the observation. Among the tested models, the single scattering seems to better reproduce the scattering efficiency at the three energies but energy loss obtained at small scattering angles is significantly lower than the experimental values. In general, the energy losses obtained in the experiment are higher than what obtained by the simulation. The experimental data are not completely representative of the soft proton scattering experienced by current X-ray telescopes because of the lack of measurements at low energies (< 200 keV) and small reflection angles, so we are not able to address any of the tested models as the one that can certainly reproduce the scattering behavior of low energy protons expected for the ATHENA mission. We can, however, discard multiple scattering as the model able to reproduce soft proton funnelling, and affirm that Coulomb single scattering can represent, until further measurements at lower energies are available, the best approximation of the proton scattered angular distribution at the exit of X-ray optics.

Development of speckle-free channel-cut crystal optics using plasma chemical vaporization machining for coherent x-ray applications.

PubMed

Hirano, Takashi; Osaka, Taito; Sano, Yasuhisa; Inubushi, Yuichi; Matsuyama, Satoshi; Tono, Kensuke; Ishikawa, Tetsuya; Yabashi, Makina; Yamauchi, Kazuto

2016-06-01

We have developed a method of fabricating speckle-free channel-cut crystal optics with plasma chemical vaporization machining, an etching method using atmospheric-pressure plasma, for coherent X-ray applications. We investigated the etching characteristics to silicon crystals and achieved a small surface roughness of less than 1 nm rms at a removal depth of >10 μm, which satisfies the requirements for eliminating subsurface damage while suppressing diffuse scattering from rough surfaces. We applied this method for fabricating channel-cut Si(220) crystals for a hard X-ray split-and-delay optical system and confirmed that the crystals provided speckle-free reflection profiles under coherent X-ray illumination.

Diffusive dynamics during the high-to-low density transition in amorphous ice

DOE PAGES

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkuhler, Felix; ...

2017-06-26

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distributionmore » function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. In conclusion, the diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid–liquid transition in the ultraviscous regime.« less

Diffusive dynamics during the high-to-low density transition in amorphous ice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkuhler, Felix

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distributionmore » function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. In conclusion, the diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid–liquid transition in the ultraviscous regime.« less

Diffusive dynamics during the high-to-low density transition in amorphous ice

NASA Astrophysics Data System (ADS)

Perakis, Fivos; Amann-Winkel, Katrin; Lehmkühler, Felix; Sprung, Michael; Mariedahl, Daniel; Sellberg, Jonas A.; Pathak, Harshad; Späh, Alexander; Cavalca, Filippo; Schlesinger, Daniel; Ricci, Alessandro; Jain, Avni; Massani, Bernhard; Aubree, Flora; Benmore, Chris J.; Loerting, Thomas; Grübel, Gerhard; Pettersson, Lars G. M.; Nilsson, Anders

2017-08-01

Water exists in high- and low-density amorphous ice forms (HDA and LDA), which could correspond to the glassy states of high- (HDL) and low-density liquid (LDL) in the metastable part of the phase diagram. However, the nature of both the glass transition and the high-to-low-density transition are debated and new experimental evidence is needed. Here we combine wide-angle X-ray scattering (WAXS) with X-ray photon-correlation spectroscopy (XPCS) in the small-angle X-ray scattering (SAXS) geometry to probe both the structural and dynamical properties during the high-to-low-density transition in amorphous ice at 1 bar. By analyzing the structure factor and the radial distribution function, the coexistence of two structurally distinct domains is observed at T = 125 K. XPCS probes the dynamics in momentum space, which in the SAXS geometry reflects structural relaxation on the nanometer length scale. The dynamics of HDA are characterized by a slow component with a large time constant, arising from viscoelastic relaxation and stress release from nanometer-sized heterogeneities. Above 110 K a faster, strongly temperature-dependent component appears, with momentum transfer dependence pointing toward nanoscale diffusion. This dynamical component slows down after transition into the low-density form at 130 K, but remains diffusive. The diffusive character of both the high- and low-density forms is discussed among different interpretations and the results are most consistent with the hypothesis of a liquid-liquid transition in the ultraviscous regime.

Chemical and morphological characterization of III-V strained layered heterostructures

NASA Astrophysics Data System (ADS)

Gray, Allen Lindsay

This dissertation describes investigations into the chemical and morphological characterization of III-V strained layered heterostructures by high-resolution x-ray diffraction. The purpose of this work is two-fold. The first was to use high-resolution x-ray diffraction coupled with transmission electron microscopy to characterize structurally a quaternary AlGaAsSb/InGaAsSb multiple quantum well heterostructure laser device. A method for uniquely determining the chemical composition of the strain quaternary quantum well, information previously thought to be unattainable using high resolution x-ray diffraction is thoroughly described. The misconception that high-resolution x-ray diffraction can separately find the well and barrier thickness of a multi-quantum well from the pendellosung fringe spacing is corrected, and thus the need for transmission electron microscopy is motivated. Computer simulations show that the key in finding the well composition is the intensity of the -3rd order satellite peaks in the diffraction pattern. The second part of this work addresses the evolution of strain relief in metastable multi-period InGaAs/GaAs multi-layered structures by high-resolution x-ray reciprocal space maps. Results are accompanied by transmission electron and differential contrast microscopy. The evolution of strain relief is tracked from a coherent "pseudomorphic" growth to a dislocated state as a function of period number by examining the x-ray diffuse scatter emanating from the average composition (zeroth-order) of the multi-layer. Relaxation is determined from the relative positions of the substrate with respect to the zeroth-order peak. For the low period number, the diffuse scatter from the multi-layer structure region arises from periodic, coherent crystallites. For the intermediate period number, the displacement fields around the multi-layer structure region transition to random coherent crystallites. At the higher period number, displacement fields of overlapping dislocations from relaxation of the random crystallites cause the initial stages of relaxation of the multi-layer structure. At the highest period number studied, relaxation of the multi-layer structure becomes bi-modal characterized by overlapping dislocations caused by mosaic block relaxation and periodically spaced misfit dislocations formed by 60°-type dislocations. The relaxation of the multi-layer structure has an exponential dependence on the diffuse scatter length-scale, which is shown to be a sensitive measure of the onset of relaxation.

From average to local structure: a Rietveld and an atomic pair distribution function (PDF) study of selenium clusters in zeolite-NdY.

PubMed

Abeykoon, A M Milinda; Donner, Wolfgang; Brunelli, Michela; Castro-Colin, Miguel; Jacobson, Allan J; Moss, Simon C

2009-09-23

The structure of Se particles in the approximately 13 A diameter alpha-cages of zeolite NdY has been determined by Rietveld refinement and pair distribution function (PDF) analysis of X-ray data. With the diffuse scattering subtracted an average structure comprised of an undistorted framework containing nanoclusters of 20 Se atoms is observed. The intracluster correlations and the cluster-framework correlations which give rise to diffuse scattering were modeled by using PDF analysis.

Microstructure evolution, thermal stability and fractal behavior of water vapor flow assisted in situ growth poly(vinylcarbazole)-titania quantum dots nanocomposites

NASA Astrophysics Data System (ADS)

Mombrú, Dominique; Romero, Mariano; Faccio, Ricardo; Mombrú, Alvaro W.

2017-12-01

Here, we report a novel strategy for the preparation of TiO2 quantum dots fillers prepared from alkoxide precursor via in situ water vapor flow diffusion into poly(N-vinylcarbazole) host. A detailed characterization by means of infrared and Raman spectroscopy, X-ray powder diffraction, small angle X-ray scattering and differential scanning calorimetry is reported. The growth mechanism of both crystallites and particles was mostly governed by the classical coarsening reaction limited growth and the polymer host showed no detectable chemical modifications at the interface or active participation in the growing process. The main relevance of our strategy respect to the typical sol-gel growth in solution is the possibility of the interruption of the reaction by simple stopping the water vapor flow diffusion into the polymer host thus achieving good control in the nanoparticles size. The thermal stability and fractal behavior of our nanocomposites were also studied by differential scanning calorimetry and in situ small angle X-ray scattering versus temperature. Strong correlations between modifications in the fractal behavior and glass transition or fusion processes were observed for these nanocomposites.

Metallic behavior and periodical valence ordering in a MMX chain compound, Pt(2)(EtCS(2))(4)I.

PubMed

Mitsumi, M; Murase, T; Kishida, H; Yoshinari, T; Ozawa, Y; Toriumi, K; Sonoyama, T; Kitagawa, H; Mitani, T

2001-11-14

A new one-dimensional (1-D) halogen-bridged mixed-valence diplatinum(II,III) compound, Pt(2)(EtCS(2))(4)I (3), has been successfully synthesized from [Pt(2)(EtCS(2))(4)] (1) and [Pt(2)(EtCS(2))(4)I(2)] (2). These three compounds have been examined using UV-visible-near-IR, IR, polarized Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and X-ray crystal structure analyses (except for 1). Compound 3 was further characterized through electrical transport measurements, determination of the temperature dependence of lattice parameters, X-ray diffuse scattering, and SQUID magnetometry. 3 crystallizes in the monoclinic space group C2/c and exhibits a crystal structure consisting of neutral 1-D chains with a repeating -Pt-Pt-I- unit lying on the crystallographic 2-fold axis parallel to the b axis. The Pt-Pt distance at 293 K is 2.684 (1) A in the dinuclear unit, while the Pt-I distances are essentially equal (2.982 (1) and 2.978 (1) A). 3 shows relatively high electrical conductivity (5-30 S cm(-1)) at room temperature and undergoes a metal-semiconductor transition at T(M-S) = 205 K. The XPS spectrum in the metallic state reveals a Pt(2+) and Pt(3+) mixed-valence state on the time scale of XPS spectroscopy ( approximately 10(-17) s). In accordance with the metal-semiconductor transition, anomalies are observed in the temperature dependence of the crystal structure, lattice parameters, X-ray diffuse scattering, and polarized Raman spectra near T(M-S). In variable-temperature crystal structure analyses, a sudden and drastic increase in the Pt-I distance near the transition temperature is observed. Furthermore, a steep increase in U(22) of iodine atoms in the 1-D chain direction has been observed. The lattice parameters exhibit significant temperature dependence with drastic change in slope at about 205-240 K. This was especially evident in the unit cell parameter b (1-D chain direction) as it was found to lengthen rapidly with increasing temperature. X-ray diffraction photographs taken utilizing the fixed-film and fixed-crystal method for the metallic state revealed the presence of diffuse scattering with line shapes parallel to the a* axis indexed as (-, n + 0.5, l) (n; integer). Diffuse scattering with k = n + 0.5 is considered to originate from the 2-fold periodical ordering corresponding to -Pt(2+)-Pt(2+)-I-Pt(3+)-Pt(3+)-I- or -Pt(2+)-Pt(3+)-I-Pt(3+)-Pt(2+)-I- in an extremely short time scale. Diffuse lines corresponding to 2-D ordering progressively decrease in intensity below 252 K and are converted to the diffuse planes corresponding to 1-D ordering near T(M-S). Furthermore, diffuse planes condensed into superlattice reflections below T(M-S). Polarized Raman spectra show temperature dependence through a drastic low-energy shift of the Pt-I stretching mode and also through broadening of bands above T(M-S).

Modeling bioluminescent photon transport in tissue based on Radiosity-diffusion model

NASA Astrophysics Data System (ADS)

Sun, Li; Wang, Pu; Tian, Jie; Zhang, Bo; Han, Dong; Yang, Xin

2010-03-01

Bioluminescence tomography (BLT) is one of the most important non-invasive optical molecular imaging modalities. The model for the bioluminescent photon propagation plays a significant role in the bioluminescence tomography study. Due to the high computational efficiency, diffusion approximation (DA) is generally applied in the bioluminescence tomography. But the diffusion equation is valid only in highly scattering and weakly absorbing regions and fails in non-scattering or low-scattering tissues, such as a cyst in the breast, the cerebrospinal fluid (CSF) layer of the brain and synovial fluid layer in the joints. A hybrid Radiosity-diffusion model is proposed for dealing with the non-scattering regions within diffusing domains in this paper. This hybrid method incorporates a priori information of the geometry of non-scattering regions, which can be acquired by magnetic resonance imaging (MRI) or x-ray computed tomography (CT). Then the model is implemented using a finite element method (FEM) to ensure the high computational efficiency. Finally, we demonstrate that the method is comparable with Mont Carlo (MC) method which is regarded as a 'gold standard' for photon transportation simulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagata, Kohki, E-mail: nagata.koki@iri-tokyo.jp; School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571; Ogura, Atsushi

The effects of the fabrication process conditions on the microstructure of silicon dioxide thin films of <10 nm thickness are presented. The microstructure was investigated using grazing-incidence wide and small-angle X-ray scattering methods with synchrotron radiation. The combination of a high brilliance light source and grazing incident configuration enabled the observation of very weak diffuse X-ray scattering from SiO{sub 2} thin films. The results revealed different microstructures, which were dependent on oxidizing species or temperature. The micro-level properties differed from bulk properties reported in the previous literature. It was indicated that these differences originate from inner stress. The detailed structure inmore » an amorphous thin film was not revealed owing to detection difficulties.« less

UO(2) Oxidative Corrosion by Nonclassical Diffusion.

PubMed

Stubbs, Joanne E; Chaka, Anne M; Ilton, Eugene S; Biwer, Craig A; Engelhard, Mark H; Bargar, John R; Eng, Peter J

2015-06-19

Using x-ray scattering, spectroscopy, and density-functional theory, we determine the structure of the oxidation front when a UO(2) (111) surface is exposed to oxygen at ambient conditions. In contrast to classical diffusion and previously reported bulk UO(2+x) structures, we find oxygen interstitials order into a nanoscale superlattice with three-layer periodicity and uranium in three oxidation states: IV, V, and VI. This oscillatory diffusion profile is driven by the nature of the electron transfer process, and has implications for understanding the initial stages of oxidative corrosion in materials at the atomistic level.

Serial femtosecond X-ray diffraction of enveloped virus microcrystals

DOE PAGES

Lawrence, Robert M.; Conrad, Chelsie E.; Zatsepin, Nadia A.; ...

2015-08-20

Serial femtosecond crystallography (SFX) using X-ray free-electron lasers has produced high-resolution, room temperature, time-resolved protein structures. We report preliminary SFX of Sindbis virus, an enveloped icosahedral RNA virus with ~700 Å diameter. Microcrystals delivered in viscous agarose medium diffracted to ~40 Å resolution. Small-angle diffuse X-ray scattering overlaid Bragg peaks and analysis suggests this results from molecular transforms of individual particles. Viral proteins undergo structural changes during entry and infection, which could, in principle, be studied with SFX. This is a pertinent step toward determining room temperature structures from virus microcrystals that may enable time-resolved studies of enveloped viruses.

Portable mini-chamber for temperature dependent studies using small angle and wide angle x-ray scattering

NASA Astrophysics Data System (ADS)

Dev, Arun Singh; Kumar, Dileep; Potdar, Satish; Pandit, Pallavi; Roth, Stephan V.; Gupta, Ajay

2018-04-01

The present work describes the design and performance of a vacuum compatible portable mini chamber for temperature dependent GISAXS and GIWAXS studies of thin films and multilayer structures. The water cooled body of the chamber allows sample annealing up to 900 K using ultra high vacuum compatible (UHV) pyrolytic boron nitride heater, thus making it possible to study the temperature dependent evolution of structure and morphology of two-dimensional nanostructured materials. Due to its light weight and small size, the chamber is portable and can be accommodated at synchrotron facilities worldwide. A systematic illustration of the versatility of the chamber has been demonstrated at beamline P03, PETRA-III, DESY, Hamburg, Germany. Temperature dependent grazing incidence small angle x-ray scattering (GISAXS) and grazing incidence wide angle x-ray scattering (GIWAXS) measurements were performed on oblique angle deposited Co/Ag multilayer structure, which jointly revealed that the surface diffusion in Co columns in Co/Ag multilayer enhances by increasing temperature from RT to ˜573 K. This results in a morphology change from columnar tilted structure to densely packed morphological isotropic multilayer.

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

NASA Technical Reports Server (NTRS)

Smith, Randall K.

2007-01-01

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

SAPHIRE: A New Flat-Panel Digital Mammography Detector With Avalanche Photoconductor and High-Resolution Field Emitter Readout

DTIC Science & Technology

2006-06-01

work by Marshak et al.,9 who was studying neutron diffusion, and by Hamaker ,10 who had calculated the light emitted from a layer of x-ray fluorescent...diffusion and slowing down of neutrons,” Nucleonics 4, 10–22 1949. 10H. C. Hamaker , “Radiation and heat conduction in light scattering mate- rials

Quantitative Characterization of the Nanoscale Local Lattice Strain Induced by Sr Dopants in La1.92Sr0.08CuO4

NASA Astrophysics Data System (ADS)

Lin, J. Q.; Liu, X.; Blackburn, E.; Wakimoto, S.; Ding, H.; Islam, Z.; Sinha, S. K.

2018-05-01

The nanometer scale lattice deformation brought about by the dopants in the high temperature superconducting cuprate La2 -xSrx CuO4 (x =0.08 ) was investigated by measuring the associated x-ray diffuse scattering around multiple Bragg peaks. A characteristic diffuse scattering pattern was observed, which can be well described by continuum elastic theory. With the fitted dipole force parameters, the acoustic-type lattice deformation pattern was reconstructed and found to be of similar size to lattice thermal vibration at 7 K. Our results address the long-term concern of dopant introduced local lattice inhomogeneity, and show that the associated nanometer scale lattice deformation is marginal and cannot, alone, be responsible for the patched variation in the spectral gaps observed with scanning tunneling microscopy in the cuprates.

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

NASA Astrophysics Data System (ADS)

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

A new frontier in the field of structural science is the emergence of the fast and ultra-fast X-ray science. Recent developments in time-resolved X-ray diffraction promise direct access to the dynamics of electronic, atomic and molecular motions in condensed matter triggered by a pulsed laser irradiation, i.e. to record "molecular movies" during the transformation of matter initiated by light pulse. These laser pump and X-ray probe techniques now provide an outstanding opportunity for the direct observation of a photoinduced structural phase transition as it takes place. The use of X-ray short-pulse of about 100ps around third-generation synchrotron sources allows structural investigations of fast photoinduced processes. Other new X-ray sources, such as laser-produced plasma ones, generate ultra-short pulses down to 100 fs. This opens the way to femtosecond X-ray crystallography, but with rather low X-ray intensities and more limited experimental possibilities at present. However this new ultra-fast science rapidly progresses around these sources and new large-scale projects exist. It is the aim of this contribution to overview the state of art and the perspectives of fast and ultra-fast X-ray scattering techniques to study photoinduced phase transitions (here, the word ultra-fast is used for sub-picosecond time resolution). In particular we would like to largely present the contribution of crystallographic methods in comparison with optical methods, such as pump-probe reflectivity measurements, the reader being not necessary familiar with X-ray scattering. Thus we want to present which type of physical information can be obtained from the positions of the Bragg peaks, their intensity and their shape, as well as from the diffuse scattering beyond Bragg peaks. An important physical feature is to take into consideration the difference in nature between a photoinduced phase transition and conventional homogeneous photoinduced chemical or biochemical processes where molecules transform in an independent way each other. Actually the photoinduced phase transition with the establishment of the new electronic and structural oscopic order is preceded by precursor co-operative phenomena due to the formation of nano-scale correlated objects. These are the counterpart of pre-transitional fluctuations at thermal equilibrium which take place above the transition temperature (short range order preceding long range one). Moreover ultra-fast X-ray scattering will play a central role within the fascinating field of manipulating coherence, for instance to directly observe coherent atomic motions induced by a light pulse, such as optical phonons. In the first part of this contribution we present what experimental features are accessible by X-ray scattering to describe the physical picture for a photoinduced structural phase transition. The second part shows how a time-resolved X-ray scattering experiment can be performed with regards to the different pulsed X-ray sources. The first time-resolved X-ray diffraction experiments on photoinduced phase transitions are described and discussed in the third part. Finally some challenges for future are briefly indicated in the conclusion.

Atomistic characterization of the active-site solvation dynamics of a model photocatalyst

DOE PAGES

van Driel, Tim B.; Kjær, Kasper S.; Hartsock, Robert W.; ...

2016-11-28

The interactions between the reactive excited state of molecular photocatalysts and surrounding solvent dictate reaction mechanisms and pathways, but are not readily accessible to conventional optical spectroscopic techniques. Here we report an investigation of the structural and solvation dynamics following excitation of a model photocatalytic molecular system [Ir 2(dimen) 4] 2+, where dimen is para-diisocyanomenthane. The time-dependent structural changes in this model photocatalyst, as well as the changes in the solvation shell structure, have been measured with ultrafast diffuse X-ray scattering and simulated with Born-Oppenheimer Molecular Dynamics. Both methods provide direct access to the solute–solvent pair distribution function, enabling themore » solvation dynamics around the catalytically active iridium sites to be robustly characterized. Our results provide evidence for the coordination of the iridium atoms by the acetonitrile solvent and demonstrate the viability of using diffuse X-ray scattering at free-electron laser sources for studying the dynamics of photocatalysis.« less

X-ray scattering by edge-dislocations in the S_A phase of mesomorphic side chain polyacrylates

NASA Astrophysics Data System (ADS)

Davidson, P.; Pansu, B.; Levelut, A. M.; Strzelecki, L.

1991-01-01

The X-ray diffraction patterns of mesomorphic side chain polymers in the S_A phase present diffuse streaks in shape of “butterfly wings”. We show that this diffuse scattering may be due to the presence of edge dislocations. On the basis of a previous description of edge dislocations within the framework of the elastic continuum theory of the S_A phase given by De Gennes, we have calculated the Fourier transform of the deformation field. Optical diffraction experiments on sketches of defects have also been made to reproduce the X-ray scattering patterns. Both methods show that this diffuse scattering may indeed be due to the presence of edge dislocations. Their density may be roughly estimated to some 10^8/cm^2. The size of their cores should be only a few Ångströms. From the decay of their elastic deformation field, a typical length λ = (K/B)^{1/2}≈ 1,5 Å can be obtained which shows that the elastic constant B of compression of the layers should be about two orders of magnitude larger in the “polymeric” S_A phase than in the “conventional” one. Les clichés de diffraction des rayons X par des polymères mésomorphes en peigne, en phase S_A, présentent des trainées diffuses en forme d'“ ailes de papillon ”. Nous montrons que cette diffusion diffuse peut s'expliquer par la présence de dislocations-coin. En partant de la description des dislocations-coin donnée par De Gennes dans le cadre de la théorie du continuum élastique de la phase S_A, nous avons calculé la transformée de Fourier du champ de déformation. Des expériences de diffraction optique sur des modèles de défauts ont aussi été effectuées afin de reproduire les clichés de diffraction des rayons X. Les deux méthodes montrent que cette diffusion diffuse peut en effet bien s'expliquer par la présence de dislocations-coin. Leur densité a été grossièrement estimée à quelques 10^8/cm^2. La taille de leurs coeurs ne devrait pas dépasser quelques Ångströms. D'après l'allure du champ de déformation élastique, on peut tirer une longueur typique λ = (K/B)^{1/2}≈ 1,5 Å, ce qui montre que la constante élastique B de compression des couches devrait être environ 100 fois plus élevée en phase S_A “ polymérique ” qu'en phase S_A “ usuelle ”.

The dust scattering halo of Cygnus X-3

NASA Astrophysics Data System (ADS)

Corrales, L. R.; Paerels, F.

2015-10-01

Dust grains scatter X-ray light through small angles, producing a diffuse halo image around bright X-ray point sources situated behind a large amount of interstellar material. We present analytic solutions to the integral for the dust scattering intensity, which allow for a Bayesian analysis of the scattering halo around Cygnus X-3. Fitting the optically thin 4-6 keV halo surface brightness profile yields the dust grain size and spatial distribution. We assume a power-law distribution of grain sizes (n ∝ a-p) and fit for p, the grain radius cut-off amax, and dust mass column. We find that a p ≈ 3.5 dust grain size distribution with amax ≈ 0.2 μm fits the halo profile relatively well, whether the dust is distributed uniformly along the line of sight or in clumps. We find that a model consisting of two dust screens, representative of foreground spiral arms, requires the foreground Perseus arm to contain 80 per cent of the total dust mass. The remaining 20 per cent of the dust, which may be associated with the outer spiral arm of the Milky Way, is located within 1 kpc of Cyg X-3. Regardless of which model was used, we found τ_sca ˜ 2 E_keV^{-2}. We examine the energy resolved haloes of Cyg X-3 from 1 to 6 keV and find that there is a sharp drop in scattering halo intensity when E < 2-3 keV, which cannot be explained with multiple scattering effects. We hypothesize that this may be caused by large dust grains or material with unique dielectric properties, causing the scattering cross-section to depart from the Rayleigh-Gans approximation that is used most often in X-ray scattering studies. The foreground Cyg OB2 association, which contains several evolved stars with large extinction values, is a likely culprit for grains of unique size or composition.

Study of microdefects and their distribution in dislocation-free Si-doped HB GaAs by X-ray diffuse scattering on triple-crystal diffractometer

NASA Astrophysics Data System (ADS)

Charniy, L. A.; Morozov, A. N.; Bublik, V. T.; Scherbachev, K. D.; Stepantsova, I. V.; Kaganer, V. M.

1992-03-01

Microdefects in dislocation-free Si-doped (n = (1-3) × 10 18cm-3) HB GaAs crystals were studied by X-ray diffuse scattering measured with the help of a triple-crystal diffractometer. The intensity of the diffuse scattering as well as the isointensity contours around different reciprocal lattice points were analysed. A comparison of the measured isointensity contours with the theoretically calculated ones showed that the microdefects detected are interstitial dislocation loops with the Burgers vectors b = {1}/{2}<110 #3862;; lying in the planes #38;{110} and {111}. The mean radius of the dislocation loops R0 was determined using the wave vector q0 alpha; R-10 corresponding to the transmition point where the Huang diffuse scattering I( q) alpha q-2 ( q < q0) changed to the asymptotic scattering I( q) alpha q-4 ( q #62 q0). The analysis of a D-shaped cross-sectional (111) wafer cut from the end part of the HB ingot showed that R0 changed smoothly along the [ overline211] symmetry axis of the wafer. The highly inhomogeneous "new-moon"-like distribution of the non-dislocational etch-pits was also obtained. The maximal loop radius obtained at the edges of the wafer, R 0 = 1 μm, corresponds to the wafer area enriched with etch-pits and the minimal one, R 0 = 0.3 μm, corresponds to the bound of the new-moon-like area denuded from etch-pits. Microdefects of a new type were detected in the denuded area. These microdefects consist of nuclei, 0.1 μm in radius, and an extended atmosphere of interstitials. The minimal microdefect radius in the centre of the wafer corresponds to the maximum local value of the lattice parameter a = 5.655380 Å, and the minimum local value a = 5.65372 Å was obtained at the wafer edges enriched with microdefect-related etch-pits. Absolute X-ray diffuse intensity measurements were used for microdefect concentration determination. Normalization of I( q) was based on the comparison of the Huang intensity with the thermal diffuse scattering intensity which is predominant for the wave vector q å R-10. The microdefect concentration determined in this way appeared to be 4 × 10 9 cm -3 at the edges of the wafer and 4 × 10 11 cm -3 at the centre of the new-moon-like etch-pit denuded zone. The number of interstitial atoms forming dislocation loops is shown to be the same across the area of the wafer and equal to 10 16 cm -3.

Alamethicin in lipid bilayers: combined use of X-ray scattering and MD simulations.

PubMed

Pan, Jianjun; Tieleman, D Peter; Nagle, John F; Kucerka, Norbert; Tristram-Nagle, Stephanie

2009-06-01

We study fully hydrated bilayers of two di-monounsaturated phospholipids diC18:1PC (DOPC) and diC22:1PC with varying amounts of alamethicin (Alm). We combine the use of X-ray diffuse scattering and molecular dynamics simulations to determine the orientation of alamethicin in model lipids. Comparison of the experimental and simulated form factors shows that Alm helices are inserted transmembrane at high humidity and high concentrations, in agreement with earlier results. The X-ray scattering data and the MD simulations agree that membrane thickness changes very little up to 1/10 Alm/DOPC. In contrast, the X-ray data indicate that the thicker diC22:1PC membrane thins with added Alm, a total decrease in thickness of 4 A at 1/10 Alm/diC22:1PC. The different effect of Alm on the thickness changes of the two bilayers is consistent with Alm having a hydrophobic thickness close to the hydrophobic thickness of 27 A for DOPC; Alm is then mismatched with the 7 A thicker diC22:1PC bilayer. The X-ray data indicate that Alm decreases the bending modulus (K(C)) by a factor of approximately 2 in DOPC and a factor of approximately 10 in diC22:1PC membranes (P/L approximately 1/10). The van der Waals and fluctuational interactions between bilayers are also evaluated through determination of the anisotropic B compressibility modulus.

X-ray Emission Line Spectroscopy of Nearby Galaxies

NASA Astrophysics Data System (ADS)

Wang, Daniel

What are the origins of the diffuse soft X-ray emission from non-AGN galaxies? Preliminary analysis of XMM-Newton RGS spectra shows that a substantial fraction of the emission cannot arise from optically-thin thermal plasma, as commonly assumed, and may originate in charge exchange at the interface with neutral gas. We request the support for a comprehensive observing, data analysis, and modeling program to spectroscopically determine the origins of the emission. First, we will use our scheduled XMM-Newton AO-10 368 ks observations of the nearest compact elliptical galaxy M32 to obtain the first spectroscopic calibration of the cumulative soft X-ray emission from the old stellar population and will develop a spectral model for the charge exchange, as well as analysis tools to measure the spatial and kinematic properties of the X-ray line- emitting plasma. Second, we will characterize the truly diffuse emission from the hot plasma and/or its interplay with the neutral gas in a sample of galactic spheroids and active star forming/starburst regions in nearby galaxies observed by XMM-Newton. In particular, we will map out the spatial distributions of key emission lines and measure (or tightly constrain) the kinematics of hot plasma outflows for a few X-ray-emitting regions with high-quality RGS data. For galaxies with insufficient counting statistics in individual emission lines, we will conduct a spectral stacking analysis to constrain the average properties of the X-ray-emitting plasma. We will use the results of these X-ray spectroscopic analyses, together with complementary X-ray CCD imaging/spectral data and observations in other wavelength bands, to test the models of the emission. In addition to the charge exchange, alternative scenarios such as resonance scattering and relic AGN photo-ionization will also be examined for suitable regions. These studies are important to the understanding of the relationship between the diffuse soft X-ray emission and various high-energy feedback processes of the galaxies.

Radiation damage limits to XPCS studies of protein dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vodnala, Preeti, E-mail: preeti.vodnala@gmail.com; Karunaratne, Nuwan; Lurio, Laurence

2016-07-27

The limitations to x-ray photon correlation spectroscopy (XPCS) imposed by radiation damage have been evaluated for suspensions of alpha crystallin. We find that the threshold for radiation damage to the measured protein diffusion rate is significantly lower than the threshold for damage to the protein structure. We provide damage thresholds beyond which the measured diffusion coeffcients have been modified using both XPCS and dynamic light scattering (DLS).

The SPARC_LAB Thomson source

NASA Astrophysics Data System (ADS)

Vaccarezza, C.; Alesini, D.; Anania, M. P.; Bacci, A.; Biagioni, A.; Bisesto, F.; Bellaveglia, M.; Cardarelli, P.; Cardelli, F.; Cianchi, A.; Chiadroni, E.; Croia, M.; Curcio, A.; Delogu, P.; Giovenale, D. Di; Domenico, G. Di; Pirro, G. Di; Drebot, I.; Ferrario, M.; Filippi, F.; Gallo, A.; Galletti, M.; Gambaccini, M.; Giribono, A.; Golosio, B.; Li, W.; Mostacci, A.; Oliva, P.; Palmer, D.; Petrillo, V.; Petrarca, M.; Pioli, S.; Piersanti, L.; Pompili, R.; Romeo, S.; Rossi, A. R.; Scifo, J.; Serafini, L.; Suliman, G.; Villa, F.

2016-09-01

The SPARC_LAB Thomson source is a compact X-ray source based on the Thomson backscattering process presently under its second phase of commissioning at the LNF. The electron beam energy ranges between 30 and 150 MeV, the electrons collide head-on with the Ti:Sapphire FLAME laser pulse the energy of which ranges between 1 and 5 J with pulse lengths in the 25 fs-10 ps range, this provides an X-ray energy tunability in the range of 20-500 keV, with the further capability to generate strongly non-linear phenomena and to drive diffusion processes due to multiple and plural scattering effects. The experimental results of the obtained X-ray radiation are presented.

Resonant soft X-ray scattering for polymer materials

DOE PAGES

Liu, Feng; Brady, Michael A.; Wang, Cheng

2016-04-16

Resonant Soft X-ray Scattering (RSoXS) was developed within the last few years, and the first dedicated resonant soft X-ray scattering beamline for soft materials was constructed at the Advanced Light Source, LBNL. RSoXS combines soft X-ray spectroscopy with X-ray scattering and thus offers statistical information for 3D chemical morphology over a large length scale range from nanometers to micrometers. Using RSoXS to characterize multi-length scale soft materials with heterogeneous chemical structures, we have demonstrated that soft X-ray scattering is a unique complementary technique to conventional hard X-ray and neutron scattering. Its unique chemical sensitivity, large accessible size scale, molecular bondmore » orientation sensitivity with polarized X-rays, and high coherence have shown great potential for chemically specific structural characterization for many classes of materials.« less

Stimulated Electronic X-Ray Raman Scattering

NASA Astrophysics Data System (ADS)

Weninger, Clemens; Purvis, Michael; Ryan, Duncan; London, Richard A.; Bozek, John D.; Bostedt, Christoph; Graf, Alexander; Brown, Gregory; Rocca, Jorge J.; Rohringer, Nina

2013-12-01

We demonstrate strong stimulated inelastic x-ray scattering by resonantly exciting a dense gas target of neon with femtosecond, high-intensity x-ray pulses from an x-ray free-electron laser (XFEL). A small number of lower energy XFEL seed photons drive an avalanche of stimulated resonant inelastic x-ray scattering processes that amplify the Raman scattering signal by several orders of magnitude until it reaches saturation. Despite the large overall spectral width, the internal spiky structure of the XFEL spectrum determines the energy resolution of the scattering process in a statistical sense. This is demonstrated by observing a stochastic line shift of the inelastically scattered x-ray radiation. In conjunction with statistical methods, XFELs can be used for stimulated resonant inelastic x-ray scattering, with spectral resolution smaller than the natural width of the core-excited, intermediate state.

Interfaces in Si/Ge atomic layer superlattices on (001)Si: Effect of growth temperature and wafer misorientation

NASA Astrophysics Data System (ADS)

Baribeau, J.-M.; Lockwood, D. J.; Syme, R. W. G.

1996-08-01

We have used x-ray diffraction, specular reflectivity, and diffuse scattering, complemented by Raman spectroscopy, to study the interfaces in a series of (0.5 nm Ge/2 nm Si)50 atomic layer superlattices on (001)Si grown by molecular beam epitaxy in the temperature range 150-650 °C. X-ray specular reflectivity revealed that the structures have a well-defined periodicity with interface widths of about 0.2-0.3 nm in the 300-590 °C temperature range. Offset reflectivity scans showed that the diffuse scattering peaks at values of perpendicular wave vector transfer corresponding to the superlattice satellite peaks, indicating that the interfaces are vertically correlated. Transverse rocking scans of satellite peaks showed a diffuse component corresponding to an interface corrugation of typical length scale of ˜0.5 μm. The wavelength of the undulations is a minimum along the miscut direction and is typically 30-40 times larger than the surface average terrace width assuming monolayer steps, independently of the magnitude of the wafer misorientation. The amplitude of the undulation evolves with growth temperature and is minimum for growth at ˜460 °C and peaks at ˜520 °C. Raman scattering showed the chemical abruptness of the interfaces at low growth temperatures and indicated a change in the growth mode near 450 °C.

Dissolution Rates of Allophane, FE-Containing Allophane, and Hisingerite and Implications for Gale Crater, Mars

NASA Technical Reports Server (NTRS)

Ralston, S. J.; Hausrath, E. M.; Tschauner, O.; Rampe, E. B.; Christoffersen, R.

2018-01-01

Investigations with the CheMin Xray Diffractometer (XRD) onboard the Curiosity rover in Gale Crater demonstrate that all rock and soil samples measured to date contain approximately 15-70 weight percentage X-ray amorphous materials. The diffuse scattering hump from the X-ray amorphous materials in CheMin XRD patterns can be fit with a combination of allophane, ferrihydrite, and rhyolitic and basaltic glass. Because of the iron-rich nature of Mars' surface, Fe-rich poorly-crystalline phases, such as hisingerite, may be present in addition to allophane.

The statistical kinematical theory of X-ray diffraction as applied to reciprocal-space mapping

PubMed

Nesterets; Punegov

2000-11-01

The statistical kinematical X-ray diffraction theory is developed to describe reciprocal-space maps (RSMs) from deformed crystals with defects of the structure. The general solutions for coherent and diffuse components of the scattered intensity in reciprocal space are derived. As an example, the explicit expressions for intensity distributions in the case of spherical defects and of a mosaic crystal were obtained. The theory takes into account the instrumental function of the triple-crystal diffractometer and can therefore be used for experimental data analysis.

Grazing-incidence X-ray diffraction from a crystal with subsurface defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaevskii, A. Yu., E-mail: transilv@mail.ru; Golentus, I. E.

2015-03-15

The diffraction of X rays incident on a crystal surface under grazing angles under conditions of total external reflection has been investigated. An approach is proposed in which exact solutions to the dynamic problem of grazing-incidence diffraction in an ideal crystal are used as initial functions to calculate the diffuse component of diffraction in a crystal with defects. The diffuse component of diffraction is calculated for a crystal with surface defects of a dilatation-center type. Exact formulas of the continuum theory which take into account the mirror-image forces are used for defect-induced atomic displacements. Scattering intensity maps near Bragg peaksmore » are constructed for different scan modes, and the conditions for detecting primarily the diffuse component are determined. The results of dynamic calculations of grazing-incidence diffraction in defect-containing crystals are compared with calculations in the kinematic approximation.« less

Intermolecular correlations are necessary to explain diffuse scattering from protein crystals

DOE PAGES

Peck, Ariana; Poitevin, Frederic; Lane, Thomas Joseph

2018-02-21

Conformational changes drive protein function, including catalysis, allostery, and signaling. X-ray diffuse scattering from protein crystals has frequently been cited as a probe of these correlated motions, with significant potential to advance our understanding of biological dynamics. However, recent work challenged this prevailing view, suggesting instead that diffuse scattering primarily originates from rigid body motions and could therefore be applied to improve structure determination. To investigate the nature of the disorder giving rise to diffuse scattering, and thus the potential applications of this signal, a diverse repertoire of disorder models was assessed for its ability to reproduce the diffuse signalmore » reconstructed from three protein crystals. This comparison revealed that multiple models of intramolecular conformational dynamics, including ensemble models inferred from the Bragg data, could not explain the signal. Models of rigid body or short-range liquid-like motions, in which dynamics are confined to the biological unit, showed modest agreement with the diffuse maps, but were unable to reproduce experimental features indicative of long-range correlations. Extending a model of liquid-like motions to include disorder across neighboring proteins in the crystal significantly improved agreement with all three systems and highlighted the contribution of intermolecular correlations to the observed signal. These findings anticipate a need to account for intermolecular disorder in order to advance the interpretation of diffuse scattering to either extract biological motions or aid structural inference.« less

Intermolecular correlations are necessary to explain diffuse scattering from protein crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peck, Ariana; Poitevin, Frederic; Lane, Thomas Joseph

Conformational changes drive protein function, including catalysis, allostery, and signaling. X-ray diffuse scattering from protein crystals has frequently been cited as a probe of these correlated motions, with significant potential to advance our understanding of biological dynamics. However, recent work challenged this prevailing view, suggesting instead that diffuse scattering primarily originates from rigid body motions and could therefore be applied to improve structure determination. To investigate the nature of the disorder giving rise to diffuse scattering, and thus the potential applications of this signal, a diverse repertoire of disorder models was assessed for its ability to reproduce the diffuse signalmore » reconstructed from three protein crystals. This comparison revealed that multiple models of intramolecular conformational dynamics, including ensemble models inferred from the Bragg data, could not explain the signal. Models of rigid body or short-range liquid-like motions, in which dynamics are confined to the biological unit, showed modest agreement with the diffuse maps, but were unable to reproduce experimental features indicative of long-range correlations. Extending a model of liquid-like motions to include disorder across neighboring proteins in the crystal significantly improved agreement with all three systems and highlighted the contribution of intermolecular correlations to the observed signal. These findings anticipate a need to account for intermolecular disorder in order to advance the interpretation of diffuse scattering to either extract biological motions or aid structural inference.« less

Direct detection of x-rays for protein crystallography employing a thick, large area CCD

DOEpatents

Atac, Muzaffer; McKay, Timothy

1999-01-01

An apparatus and method for directly determining the crystalline structure of a protein crystal. The crystal is irradiated by a finely collimated x-ray beam. The interaction of the x-ray beam with the crystal produces scattered x-rays. These scattered x-rays are detected by means of a large area, thick CCD which is capable of measuring a significant number of scattered x-rays which impact its surface. The CCD is capable of detecting the position of impact of the scattered x-ray on the surface of the CCD and the quantity of scattered x-rays which impact the same cell or pixel. This data is then processed in real-time and the processed data is outputted to produce a image of the structure of the crystal. If this crystal is a protein the molecular structure of the protein can be determined from the data received.

Three-Dimensional Morphology Control Yielding Enhanced Hole Mobility in Air-Processed Organic Photovoltaics: Demonstration with Grazing-Incidence Wide-Angle X-ray Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, Levi M. J.; Bhattacharya, Mithun; Wu, Qi

Polymer organic photovoltaic (OPV) device performance is defined by the three-dimensional morphology of the phase-separated domains in the active layer. Here, we determine the evolution of morphology through different stages of tailored solvent vapor and thermal annealing techniques in air-processed poly(3-hexylthiophene-2,5-diyl)/phenyl-C61-butyric acid methyl ester-based OPV blends. A comparative evaluation of the effect of solvent type used for vapor annealing was performed using grazing-incidence wide-angle X-ray scattering, atomic force microscopy, and UV–vis spectroscopy to probe the active-layer morphology. A nonhalogenated orthogonal solvent was found to impart controlled morphological features within the exciton diffusion length scales, enhanced absorbance, greater crystallinity, increased paracrystallinemore » disorder, and improved charge-carrier mobility. Low-boiling, fast-diffusing isopropanol allowed the greatest control over the nanoscale structure of the solvents evaluated and yielded a cocontinuous morphology with narrowed domains and enhanced paths for the charge carrier to reach the anode.« less

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

PubMed Central

Sakurai, Hiroshi; Kawahara, Nobuyuki; Itou, Masayoshi; Tomita, Eiji; Suzuki, Kosuke; Sakurai, Yoshiharu

2016-01-01

Measurement of combustion gas by high-energy X-ray Compton scattering is reported. The intensity of Compton-scattered X-rays has shown a position dependence across the flame of the combustion gas, allowing us to estimate the temperature distribution of the combustion flame. The energy spectra of Compton-scattered X-rays have revealed a significant difference across the combustion reaction zone, which enables us to detect the combustion reaction. These results demonstrate that high-energy X-ray Compton scattering can be employed as an in situ technique to probe inside a combustion reaction. PMID:26917151

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

PubMed

Sakurai, Hiroshi; Kawahara, Nobuyuki; Itou, Masayoshi; Tomita, Eiji; Suzuki, Kosuke; Sakurai, Yoshiharu

2016-03-01

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

High-resolution x-ray guided three-dimensional diffuse optical tomography of joint tissues in hand osteoarthritis: Morphological and functional assessments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan Zhen; Zhang Qizhi; Sobel, Eric S.

Purpose: The aim of this study was to investigate the potential use of multimodality functional imaging techniques to identify the quantitative optical findings that can be used to distinguish between osteoarthritic and normal finger joints. Methods: Between 2006 and 2009, the distal interphalangeal finger joints from 40 female subjects including 22 patients and 18 healthy controls were examined clinically and scanned by a hybrid imaging system. This system integrated x-ray tomosynthetic setup with a diffuse optical imaging system. Optical absorption and scattering images were recovered based on a regularization-based hybrid reconstruction algorithm. A receiver operating characteristic curve was used tomore » calculate the statistical significance of specific optical features obtained from osteoarthritic and healthy joints groups. Results: The three-dimensional optical and x-ray images captured made it possible to quantify optical properties and joint space width of finger joints. Based on the recovered optical absorption and scattering parameters, the authors observed statistically significant differences between healthy and osteoarthritis finger joints. Conclusions: The statistical results revealed that sensitivity and specificity values up to 92% and 100%, respectively, can be achieved when optical properties of joint tissues were used as classifiers. This suggests that these optical imaging parameters are possible indicators for diagnosing osteoarthritis and monitoring its progression.« less

Resonant soft X-ray scattering on protein solutions

NASA Astrophysics Data System (ADS)

Ye, Dan; Le, Thinh; Wang, Cheng; Zwart, Peter; Gomez, Esther; Gomez, Enrique

Protein structure is crucial for biological function, such that characterizing protein folding and packing is important for the design of therapeutics and enzymes. We propose resonant soft X-ray scattering (RSOXS) as an approach to study proteins and other biological assemblies in solution. Calculations of the scattering contrast suggest that soft X-ray scattering is more sensitive than hard X-ray scattering, because of contrast generated at the absorption edges of constituent elements such as carbon, nitrogen and oxygen. We have examined the structure of bovine serum albumin (BSA) in solution by RSOXS. We find that by varying incident X-ray energies, we are able to achieve higher scattering contrast near the absorption edge. From our RSOXS scattering result we are able to reconstruct the structure of BSA in 3D. These RSOXS results also agree with hard X-ray experiments, including crystallographic data. Our study demonstrates the potential of RSOXS for studying protein structure in solution.

Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses

PubMed Central

Canton, Sophie E.; Kjær, Kasper S.; Vankó, György; van Driel, Tim B.; Adachi, Shin-ichi; Bordage, Amélie; Bressler, Christian; Chabera, Pavel; Christensen, Morten; Dohn, Asmus O.; Galler, Andreas; Gawelda, Wojciech; Gosztola, David; Haldrup, Kristoffer; Harlang, Tobias; Liu, Yizhu; Møller, Klaus B.; Németh, Zoltán; Nozawa, Shunsuke; Pápai, Mátyás; Sato, Tokushi; Sato, Takahiro; Suarez-Alcantara, Karina; Togashi, Tadashi; Tono, Kensuke; Uhlig, Jens; Vithanage, Dimali A.; Wärnmark, Kenneth; Yabashi, Makina; Zhang, Jianxin; Sundström, Villy; Nielsen, Martin M.

2015-01-01

Ultrafast photoinduced electron transfer preceding energy equilibration still poses many experimental and conceptual challenges to the optimization of photoconversion since an atomic-scale description has so far been beyond reach. Here we combine femtosecond transient optical absorption spectroscopy with ultrafast X-ray emission spectroscopy and diffuse X-ray scattering at the SACLA facility to track the non-equilibrated electronic and structural dynamics within a bimetallic donor–acceptor complex that contains an optically dark centre. Exploiting the 100-fold increase in temporal resolution as compared with storage ring facilities, these measurements constitute the first X-ray-based visualization of a non-equilibrated intramolecular electron transfer process over large interatomic distances. Experimental and theoretical results establish that mediation through electronically excited molecular states is a key mechanistic feature. The present study demonstrates the extensive potential of femtosecond X-ray techniques as diagnostics of non-adiabatic electron transfer processes in synthetic and biological systems, and some directions for future studies, are outlined. PMID:25727920

Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses

DOE PAGES

Canton, Sophie E.; Kjær, Kasper S.; Vankó, György; ...

2015-03-02

Ultrafast photoinduced electron transfer preceding energy equilibration still poses many experimental and conceptual challenges to the optimization of photoconversion since an atomic-scale description has so far been beyond reach. Here we combine femtosecond transient optical absorption spectroscopy with ultrafast X-ray emission spectroscopy and diffuse X-ray scattering at the SACLA facility to track the non-equilibrated electronic and structural dynamics within a bimetallic donor–acceptor complex that contains an optically dark centre. Exploiting the 100-fold increase in temporal resolution as compared with storage ring facilities, these measurements constitute the first X-ray-based visualization of a non-equilibrated intramolecular electron transfer process over large interatomic distances.more » Thus experimental and theoretical results establish that mediation through electronically excited molecular states is a key mechanistic feature. The present study demonstrates the extensive potential of femtosecond X-ray techniques as diagnostics of non-adiabatic electron transfer processes in synthetic and biological systems, and some directions for future studies, are outlined.« less

Long-range two-dimensional superstructure in the superconducting electron-doped cuprate Pr 0.88 LaCe 0.12 CuO 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campbell, B. J.; Rosenkranz, S.; Kang, H. J.

2015-07-01

Utilizing single-crystal synchrotron x-ray scattering, we observe distorted CuO 2 planes in the electron- doped superconductor Pr 1-xLaCe xCuO 4+δ , x =0.12. Resolution-limited rods of scattering are indicative of a long-range two-dimensional 2√2 × 2√2 superstructure in the a-b plane, adhering to planar space-group symmetry p4gm, which is subject to stacking disorder perpendicular to the planes. This superstructure is present only in annealed, superconducting samples, but not in the as-grown, nonsuperconducting samples. These long-range distortions of the CuO 2 planes, which are generally considered to be detrimental to superconductivity, have avoided detection to date due to the challenges ofmore » observing and interpreting subtle diffuse-scattering features.« less

Polarized x-ray excitation for scatter reduction in x-ray fluorescence computed tomography.

PubMed

Vernekohl, Don; Tzoumas, Stratis; Zhao, Wei; Xing, Lei

2018-05-25

X-ray fluorescence computer tomography (XFCT) is a new molecular imaging modality which uses x-ray excitation to stimulate the emission of fluorescent photons in high atomic number contrast agents. Scatter contamination is one of the main challenges in XFCT imaging which limits the molecular sensitivity. When polarized x rays are used, it is possible to reduce the scatter contamination significantly by placing detectors perpendicular to the polarization direction. This study quantifies scatter contamination for polarized and unpolarized x-ray excitation and determines the advantages of scatter reduction. The amount of scatter in preclinical XFCT is quantified in Monte Carlo simulations. The fluorescent x rays are emitted isotropically, while scattered x rays propagate in polarization direction. The magnitude of scatter contamination is studied in XFCT simulations of a mouse phantom. In this study, the contrast agent gold is examined as an example, but a scatter reduction from polarized excitation is also expected for other elements. The scatter reduction capability is examined for different polarization intensities with a monoenergetic x-ray excitation energy of 82 keV. The study evaluates two different geometrical shapes of CZT detectors which are modeled with an energy resolution of 1 keV FWHM at an x-ray energy of 80 keV. Benefits of a detector placement perpendicular to the polarization direction are shown in iterative and analytic image reconstruction including scatter correction. The contrast to noise ratio (CNR) and the normalized mean square error (NMSE) are analyzed and compared for the reconstructed images. A substantial scatter reduction for common detector sizes was achieved for 100% and 80% linear polarization while lower polarization intensities provide a decreased scatter reduction. By placing the detector perpendicular to the polarization direction, a scatter reduction by factor up to 5.5 can be achieved for common detector sizes. The image reconstruction showed that for a scatter magnitude decrease by a factor of 2.4, the molecular sensitivity could almost be doubled. Scatter reduction lowers the amount of noise in the projection datasets and reconstructed images which enhance molecular sensitivity at equal dose. The results support the use of linear polarized x rays to reduce scatter in XFCT imaging. © 2018 American Association of Physicists in Medicine.

Nonlinear X-Ray and Auger Spectroscopy at X-Ray Free-Electron Laser Sources

NASA Astrophysics Data System (ADS)

Rohringer, Nina

2015-05-01

X-ray free-electron lasers (XFELs) open the pathway to transfer non-linear spectroscopic techniques to the x-ray domain. A promising all x-ray pump probe technique is based on coherent stimulated electronic x-ray Raman scattering, which was recently demonstrated in atomic neon. By tuning the XFEL pulse to core-excited resonances, a few seed photons in the spectral tail of the XFEL pulse drive an avalanche of resonant inelastic x-ray scattering events, resulting in exponential amplification of the scattering signal by of 6-7 orders of magnitude. Analysis of the line profile of the emitted radiation permits to demonstrate the cross over from amplified spontaneous emission to coherent stimulated resonance scattering. In combination with statistical covariance mapping, a high-resolution spectrum of the resonant inelastic scattering process can be obtained, opening the path to coherent stimulated x-ray Raman spectroscopy. An extension of these ideas to molecules and a realistic feasibility study of stimulated electronic x-ray Raman scattering in CO will be presented. Challenges to realizing stimulated electronic x-ray Raman scattering at present-day XFEL sources will be discussed, corroborated by results of a recent experiment at the LCLS XFEL. Due to the small gain cross section in molecular targets, other nonlinear spectroscopic techniques such as nonlinear Auger spectroscopy could become a powerful alternative. Theory predictions of a novel pump probe technique based on resonant nonlinear Auger spectroscopic will be discussed and the method will be compared to stimulated x-ray Raman spectroscopy.

Structural disorder in the decagonal Al-Co-Ni. I. Patterson analysis of diffuse x-ray scattering data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kobas, Miroslav; Weber, Thomas; Steurer, Walter

The three-dimensional (3D) difference Patterson (autocorrelation) function of a disordered quasicrystal (Edagawa phase) has been analyzed. 3D diffuse x-ray diffraction data were collected in situ at 300, 1070, and 1120 K. A method, the punch-and-fill technique, has been developed for separating diffuse scattering and Bragg reflections. Its potential and limits are discussed in detail. The different Patterson maps are interpreted in terms of intercluster correlations as a function of temperature. Both at high and low temperatures, the clusters decorate the vertices of the same quasiperiodic covering. At low temperatures, for the disordered part of the structure, short-range intercluster correlations aremore » present, whereas at higher temperatures, medium-range intercluster correlations are formed. This indicates disorder mainly inside clusters at low temperatures, whereas at higher temperatures disorder takes place inside larger superclusters. Qualitatively, the Patterson maps may be interpreted by intercluster correlations mainly inside pentagonal superclusters below 1120 K, and inside the larger decagonal superclusters at 1120 K. The results of our diffraction study are published in two parts. Part I focuses on the 3D Patterson analysis based on experimental data, Part II reports modeling of structural disorder in decagonal Al-Co-Ni.« less

X-ray scattering study

NASA Technical Reports Server (NTRS)

Wriston, R. S.; Froechtenigt, J. F.

1972-01-01

A soft X-ray glancing incidence telescope mirror and a group of twelve optical flat samples were used to study the scattering of X-rays. The mirror was made of Kanigen coated beryllium and the images produced were severely limited by scattering of X-rays. The best resolution attained was about fifteen arc seconds. The telescope efficiency was found to be 0.0006. The X-ray beam reflected from the twelve optical flat samples was analyzed by means of a long vacuum system of special design for these tests. The scattering then decreased with increasing angle of incidence until a critical angle was passed. At larger angles the scattering increased again. The samples all scattered more at 44 A than at 8 A. Metal samples were found to have about the same scattering at 44 A but greater scattering at 8 A than glass samples.

Diffuse Scattering Investigations of Orientational Pair Potentials in C_60

NASA Astrophysics Data System (ADS)

Wochner, Peter

1996-03-01

Premonitory orientational fluctuations above the first order phase transition of C_60 at 260K have been studied by diffuse X-ray scattering experiments. These experiments probe the orientational pair correlations between C_60 molecules as a function of their separation and therefore the orientational pair potential. In addition to the diffuse scattering due to the orientational disorder of single molecules, we have observed zone boundary diffuse scattering at the X-points related to the Pabar 3 low temperature structure up to 300K. An additional set of diffuse peaks, which are even at room temperature comparable in intensity to the former ones, have been found at (0.5,0.5,0.5) positions (L-point). Similar results have recently been reported by P. Launois et al. (P. Launois, S. Ravy, R. Moret, PRB 52), 5414 (1995) and L. Pintschovius et al. (L. Pintschovius, S.L. Chaplot, G. Roth, G. Heger, PRL 75), 2843 (1995) The temperature dependence of the integrated intensity of both sets of diffuse peaks shows only a weak increase in approaching T_c, indicative of a strongly first order transition. Additional intensity with a very weak temperature dependence but similar correlation length has also been found at (0.5,0.5,0) and (0.5,0,0) positions. The diffuse intensity at the L, Σ and Δ points has probably its origin in competing phases which are not stabilized at low temperatures. Recent DSC measurements show close lying transitions at 260K with a separation of ~= 0.2-0.3K which might be related to these competing phases footnote J. Fischer, private communication. The data will be compared with model calculations using orientational pair potentials which have been used in literature to describe the orientational phase transition in C_60.

Photoinduced Domain Pattern Transformation in Ferroelectric-Dielectric Superlattices

DOE PAGES

Ahn, Youngjun; Park, Joonkyu; Pateras, Anastasios; ...

2017-07-31

The nanodomain pattern in ferroelectric/dielectric superlattices transforms to a uniform polarization state under above-bandgap optical excitation. X-ray scattering reveals a disappearance of domain diffuse scattering and an expansion of the lattice. Furthermore, the reappearance of the domain pattern occurs over a period of seconds at room temperature, suggesting a transformation mechanism in which charge carriers in long-lived trap states screen the depolarization field. A Landau-Ginzburg-Devonshire model predicts changes in lattice parameter and a critical carrier concentration for the transformation.

Photoinduced Domain Pattern Transformation in Ferroelectric-Dielectric Superlattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahn, Youngjun; Park, Joonkyu; Pateras, Anastasios

2017-07-01

The nanodomain pattern in ferroelectric/dielectric superlattices transforms to a uniform polarization state under above-bandgap optical excitation. X-ray scattering reveals a disappearance of domain diffuse scattering and an expansion of the lattice. The reappearance of the domain pattern occurs over a period of seconds at room temperature, suggesting a transformation mechanism in which charge carriers in long-lived trap states screen the depolarization field. A Landau-Ginzburg-Devonshire model predicts changes in lattice parameter and a critical carrier concentration for the transformation.

Instrumentation on Multi-Scaled Scattering of Bio-Macromolecular Solutions

PubMed Central

Chu, Benjamin; Fang, Dufei; Mao, Yimin

2015-01-01

The design, construction and initial tests on a combined laser light scattering and synchrotron X-ray scattering instrument can cover studies of length scales from atomic sizes in Angstroms to microns and dynamics from microseconds to seconds are presented. In addition to static light scattering (SLS), dynamic light scattering (DLS), small angle X-ray scattering (SAXS) and wide angle X-ray diffraction (WAXD), the light scattering instrument is being developed to carry out studies in mildly turbid solutions, in the presence of multiple scattering. Three-dimensional photon cross correlation function (3D-PCCF) measurements have been introduced to couple with synchrotron X-ray scattering to study the structure, size and dynamics of macromolecules in solution. PMID:25946340

Femtosecond x-ray scattering study of ultrafast photoinduced structural dynamics in solvated [ Co ( terpy ) 2 ] 2 +

DOE PAGES

Biasin, Elisa; van Driel, Tim Brandt; Kjær, Kasper S.; ...

2016-06-30

Here, we study the structural dynamics of photoexcited [Co(terpy) 2] 2+ in an aqueous solution with ultrafast x-ray diffuse scattering experiments conducted at the Linac Coherent Light Source. Through direct comparisons with density functional theory calculations, our analysis shows that the photoexcitation event leads to elongation of the Co-N bonds, followed by coherent Co-N bond length oscillations arising from the impulsive excitation of a vibrational mode dominated by the symmetrical stretch of all six Co-N bonds. This mode has a period of 0.33 ps and decays on a subpicosecond time scale. We find that the equilibrium bond-elongated structure of themore » high spin state is established on a single-picosecond time scale and that this state has a lifetime of ~7 ps.« less

In-situ x-ray studies of compositional control during synthesis of LaGaO 3 by radio frequency-magnetron sputtering

DOE PAGES

Highland, Matthew J.; Fong, Dillon D.; Ju, Guangxu; ...

2015-08-28

In-situ synchrotron x-ray scattering has been used to monitor and control the synthesis of LaGaO 3 epitaxial thin films by 90° off-axis RF-magnetron sputtering. We compared films deposited from a single LaGaO 3 source with those prepared by alternating deposition from separate La 2O 3 and Ga 2O 3 sources. The conditions for growth of stoichiometric films were determined by real-time monitoring of secondary phase formation as well as from features in the diffuse scatter from island formation during synthesis. Our results provide atomic-scale insight into the mechanisms taking place during reactive epitaxial growth and demonstrate how in-situ techniques canmore » be utilized to achieve stoichiometric control in ultrathin films.« less

Direct Measurement of Lateral Correlations under Controlled Nanoconfinement

NASA Astrophysics Data System (ADS)

Kékicheff, P.; Iss, J.; Fontaine, P.; Johner, A.

2018-03-01

Lateral correlations along hydrophobic surfaces whose separation can be varied continuously are measured by x-ray scattering using a modified surface force apparatus coupled with synchrotron radiation, named SFAX. A weak isotropic diffuse scattering along the equatorial plane is revealed for mica surfaces rendered hydrophobic and charge neutral by immersion in cationic surfactant solutions at low concentrations. The peak corresponds to a lateral surface correlation length ξ ≈12 nm , without long-range order. These findings are compatible with the atomic force microscopy imaging of a single surface, where adsorbed surfactant stripes appear surrounded by bare mica zones. Remarkably, the scattering patterns remain stable for gap widths D larger than the lateral period but change in intensity and shape (to a lesser extent) as soon as D <ξ . This evolution codes for a redistribution of counterions (counterion release from antagonistic patches) and the associated new x-ray labeling of the patterns. The redistribution of counterions is also the key mechanism to the long-range electrostatic attraction between similar, overall charge-neutral walls, reported earlier.

Three-dimensional reciprocal space x-ray coherent scattering tomography of two-dimensional object.

PubMed

Zhu, Zheyuan; Pang, Shuo

2018-04-01

X-ray coherent scattering tomography is a powerful tool in discriminating biological tissues and bio-compatible materials. Conventional x-ray scattering tomography framework can only resolve isotropic scattering profile under the assumption that the material is amorphous or in powder form, which is not true especially for biological samples with orientation-dependent structure. Previous tomography schemes based on x-ray coherent scattering failed to preserve the scattering pattern from samples with preferred orientations, or required elaborated data acquisition scheme, which could limit its application in practical settings. Here, we demonstrate a simple imaging modality to preserve the anisotropic scattering signal in three-dimensional reciprocal (momentum transfer) space of a two-dimensional sample layer. By incorporating detector movement along the direction of x-ray beam, combined with a tomographic data acquisition scheme, we match the five dimensions of the measurements with the five dimensions (three in momentum transfer domain, and two in spatial domain) of the object. We employed a collimated pencil beam of a table-top copper-anode x-ray tube, along with a panel detector to investigate the feasibility of our method. We have demonstrated x-ray coherent scattering tomographic imaging at a spatial resolution ~2 mm and momentum transfer resolution 0.01 Å -1 for the rotation-invariant scattering direction. For any arbitrary, non-rotation-invariant direction, the same spatial and momentum transfer resolution can be achieved based on the spatial information from the rotation-invariant direction. The reconstructed scattering profile of each pixel from the experiment is consistent with the x-ray diffraction profile of each material. The three-dimensional scattering pattern recovered from the measurement reveals the partially ordered molecular structure of Teflon wrap in our sample. We extend the applicability of conventional x-ray coherent scattering tomography to the reconstruction of two-dimensional samples with anisotropic scattering profile by introducing additional degree of freedom on the detector. The presented method has the potential to achieve low-cost, high-specificity material discrimination based on x-ray coherent scattering. © 2018 American Association of Physicists in Medicine.

Electric field dependent local structure of ( K x N a 1 - x ) 0.5 B i 0.5 Ti O 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goetzee-Barral, A. J.; Usher, T. -M.; Stevenson, T. J.

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (K xNa 1–x) 0.5Bi 0.5TiO 3, as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x = 0.15, 0.18 and at the morphotropic phase boundary composition x = 0.20. X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks inmore » the 3–4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from < 110 > to < 112 >-type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x. Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. Furthermore, the combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.« less

Electric field dependent local structure of ( K x N a 1 - x ) 0.5 B i 0.5 Ti O 3

DOE PAGES

Goetzee-Barral, A. J.; Usher, T. -M.; Stevenson, T. J.; ...

2017-07-31

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (K xNa 1–x) 0.5Bi 0.5TiO 3, as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x = 0.15, 0.18 and at the morphotropic phase boundary composition x = 0.20. X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks inmore » the 3–4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from < 110 > to < 112 >-type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x. Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. Furthermore, the combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.« less

Final Report - X-ray Studies of Highly Correlated Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burns, Clement

2017-11-27

The overall goal of the research was to improve the capabilities of x-ray synchrotron instrumentation to enable cutting-edge research in condensed matter physics. The main goal of the current grant cycle was to find a method to measure the polarization of the scattered x-ray in resonant inelastic x-ray scattering. To do this, we developed a polarization analysis apparatus using a thin, toroidally bent single crystal, which could be set to reflect one or the other of the two polarization components in the scattered x-ray beam. Resonant x-ray scattering measurements were also carried out on interfaces and the charge density wavemore » in high temperature superconducting materials.« less

Small angle X-ray scattering analysis of the effect of cold compaction of Al/MoO3 thermite composites.

PubMed

Hammons, Joshua A; Wang, Wei; Ilavsky, Jan; Pantoya, Michelle L; Weeks, Brandon L; Vaughn, Mark W

2008-01-07

Nanothermites composed of aluminum and molybdenum trioxide (MoO(3)) have a high energy density and are attractive energetic materials. To enhance the surface contact between the spherical Al nanoparticles and the sheet-like MoO(3) particles, the mixture can be cold-pressed into a pelleted composite. However, it was found that the burn rate of the pellets decreased as the density of the pellets increased, contrary to expectation. Ultra-small angle X-ray scattering (USAXS) data and scanning electron microscopy (SEM) were used to elucidate the internal structure of the Al nanoparticles, and nanoparticle aggregate in the composite. Results from both SEM imaging and USAXS analysis indicate that as the density of the pellet increased, a fraction of the Al nanoparticles are compressed into sintered aggregates. The sintered Al nanoparticles lost contrast after forming the larger aggregates and no longer scattered X-rays as individual particles. The sintered aggregates hinder the burn rate, since the Al nanoparticles that make them up can no longer diffuse freely as individual particles during combustion. Results suggest a qualitative relationship for the probability that nanoparticles will sinter, based on the particle sizes and the initial structure of their respective agglomerates, as characterized by the mass fractal dimension.

Stimulated resonant x-ray Raman scattering with incoherent radiation

NASA Astrophysics Data System (ADS)

Weninger, Clemens; Rohringer, Nina

2013-11-01

We present a theoretical study on stimulated electronic Raman scattering in neon by resonant excitation with an x-ray free electron laser (XFEL). This study is in support of the recent experimental demonstration [C. Weninger , Phys. Rev. Lett. (to be published)] of stimulated x-ray Raman scattering. Focusing the broadband XFEL pulses into a cell of neon gas at atmospheric pressure a strong inelastic x-ray scattering signal in the forward direction was observed, as the x-ray energy was varied across the region of core-excited Rydberg states and the K edge. The broadband and intrinsically incoherent x-ray pulses from the XFEL lead to a rich, structured line shape of the scattered radiation. We present a generalized Maxwell-Liouville-von Neumann approach to self-consistently solve for the amplification of the scattered radiation along with the time evolution of the density matrix of the atomic and residual ionic system. An in-depth analysis of the evolution of the emission spectra as a function of the Raman gain is presented. Furthermore, we propose the use of statistical methods to obtain high-resolution scattering data beyond the lifetime broadening despite pumping with incoherent x-ray pulses.

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

NASA Astrophysics Data System (ADS)

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.

Interface morphology of Mo/Si multilayer systems with varying Mo layer thickness studied by EUV diffuse scattering.

PubMed

Haase, Anton; Soltwisch, Victor; Braun, Stefan; Laubis, Christian; Scholze, Frank

2017-06-26

We investigate the influence of the Mo-layer thickness on the EUV reflectance of Mo/Si mirrors with a set of unpolished and interface-polished Mo/Si/C multilayer mirrors. The Mo-layer thickness is varied in the range from 1.7 nm to 3.05 nm. We use a novel combination of specular and diffuse intensity measurements to determine the interface roughness throughout the multilayer stack and do not rely on scanning probe measurements at the surface only. The combination of EUV and X-ray reflectivity measurements and near-normal incidence EUV diffuse scattering allows to reconstruct the Mo layer thicknesses and to determine the interface roughness power spectral density. The data analysis is conducted by applying a matrix method for the specular reflection and the distorted-wave Born approximation for diffuse scattering. We introduce the Markov-chain Monte Carlo method into the field in order to determine the respective confidence intervals for all reconstructed parameters. We unambiguously detect a threshold thickness for Mo in both sample sets where the specular reflectance goes through a local minimum correlated with a distinct increase in diffuse scatter. We attribute that to the known appearance of an amorphous-to-crystallization transition at a certain thickness threshold which is altered in our sample system by the polishing.

Small Angle X-Ray Scattering Detector

DOEpatents

Hessler, Jan P.

2004-06-15

A detector for time-resolved small-angle x-ray scattering includes a nearly constant diameter, evacuated linear tube having an end plate detector with a first fluorescent screen and concentric rings of first fiber optic bundles for low angle scattering detection and an annular detector having a second fluorescent screen and second fiber optic bundles concentrically disposed about the tube for higher angle scattering detection. With the scattering source, i.e., the specimen under investigation, located outside of the evacuated tube on the tube's longitudinal axis, scattered x-rays are detected by the fiber optic bundles, to each of which is coupled a respective photodetector, to provide a measurement resolution, i.e., dq/q, where q is the momentum transferred from an incident x-ray to an x-ray scattering specimen, of 2% over two (2) orders of magnitude in reciprocal space, i.e., q.sub.max /q.sub.min.congruent.100.

Electric field dependent local structure of (KxNa1-x) 0.5B i0.5Ti O3

NASA Astrophysics Data System (ADS)

Goetzee-Barral, A. J.; Usher, T.-M.; Stevenson, T. J.; Jones, J. L.; Levin, I.; Brown, A. P.; Bell, A. J.

2017-07-01

The in situ x-ray pair-distribution function (PDF) characterization technique has been used to study the behavior of (KxNa1-x) 0.5B i0.5Ti O3 , as a function of electric field. As opposed to conventional x-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the angstrom to nanometer scale. Several field-dependent ordering mechanisms can be observed in x =0.15 , 0.18 and at the morphotropic phase boundary composition x =0.20 . X-ray total scattering shows suppression of diffuse scattering with increasing electric-field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks in the 3-4-Å range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric-field vector. A transition from <110 > to <112 > -type off-center displacements of Bi relative to the neighboring Ti atoms is observable with increasing x . Analysis of PDF peak shift with electric field shows the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. The combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.

Reconstruction of viruses from solution x-ray scattering data

NASA Astrophysics Data System (ADS)

Zheng, Yibin; Doerschuk, Peter C.; Johnson, John E.

1995-08-01

A model-based method for reconstructing the 3D structure of icosahedrally-symmetric viruses from solution x-ray scattering is presented. An example of the reconstruction, for data from cowpea mosaic virus, is described. The major opportunity provided by solution x-ray scattering is the ability to study the dynamics of virus particles in solution, information that is not accessible to crystal x-ray diffraction experiments.

X-ray Thomson scattering measurements from hohlraum-driven spheres on the OMEGA laser [X-ray Thomson scattering measurements from hohlraum targets on the OMEGA laser

DOE PAGES

Saunders, A. M.; Jenei, A.; Doppner, T.; ...

2016-08-30

X-ray Thomson scattering (XRTS) is a powerful diagnostic for probing warm and hot dense matter. We present the design and results of the first XRTS experiments with hohlraum-driven CH 2 targets on the OMEGA laser. X-rays seen directly from the XRTS x-ray source overshadow the elastic scattering signal from the target capsule, but can be controlled in future experiments. From the inelastic scattering signal, an average plasma temperature is inferred that is in reasonable agreement with the temperatures predicted by simulations. Here, knowledge gained in this experiment show a promising future for further XRTS measurements on indirectly driven OMEGA targets.

X-ray Thomson scattering measurements from hohlraum-driven spheres on the OMEGA laser [X-ray Thomson scattering measurements from hohlraum targets on the OMEGA laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saunders, A. M.; Jenei, A.; Doppner, T.

X-ray Thomson scattering (XRTS) is a powerful diagnostic for probing warm and hot dense matter. We present the design and results of the first XRTS experiments with hohlraum-driven CH 2 targets on the OMEGA laser. X-rays seen directly from the XRTS x-ray source overshadow the elastic scattering signal from the target capsule, but can be controlled in future experiments. From the inelastic scattering signal, an average plasma temperature is inferred that is in reasonable agreement with the temperatures predicted by simulations. Here, knowledge gained in this experiment show a promising future for further XRTS measurements on indirectly driven OMEGA targets.

Accurate Modeling of X-ray Extinction by Interstellar Grains

NASA Astrophysics Data System (ADS)

Hoffman, John; Draine, B. T.

2016-02-01

Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.

Submillisecond X-ray photon correlation spectroscopy from a pixel array detector with fast dual gating and no readout dead-time

DOE PAGES

Zhang, Qingteng; Dufresne, Eric M.; Grybos, Pawel; ...

2016-04-19

Small-angle scattering X-ray photon correlation spectroscopy (XPCS) studies were performed using a novel photon-counting pixel array detector with dual counters for each pixel. Each counter can be read out independently from the other to ensure there is no readout dead-time between the neighboring frames. A maximum frame rate of 11.8 kHz was achieved. Results on test samples show good agreement with simple diffusion. Lastly, the potential of extending the time resolution of XPCS beyond the limit set by the detector frame rate using dual counters is also discussed.

Submillisecond X-ray photon correlation spectroscopy from a pixel array detector with fast dual gating and no readout dead-time

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Qingteng; Dufresne, Eric M.; Grybos, Pawel

Small-angle scattering X-ray photon correlation spectroscopy (XPCS) studies were performed using a novel photon-counting pixel array detector with dual counters for each pixel. Each counter can be read out independently from the other to ensure there is no readout dead-time between the neighboring frames. A maximum frame rate of 11.8 kHz was achieved. Results on test samples show good agreement with simple diffusion. Lastly, the potential of extending the time resolution of XPCS beyond the limit set by the detector frame rate using dual counters is also discussed.

Submillisecond X-ray photon correlation spectroscopy from a pixel array detector with fast dual gating and no readout dead-time.

PubMed

Zhang, Qingteng; Dufresne, Eric M; Grybos, Pawel; Kmon, Piotr; Maj, Piotr; Narayanan, Suresh; Deptuch, Grzegorz W; Szczygiel, Robert; Sandy, Alec

2016-05-01

Small-angle scattering X-ray photon correlation spectroscopy (XPCS) studies were performed using a novel photon-counting pixel array detector with dual counters for each pixel. Each counter can be read out independently from the other to ensure there is no readout dead-time between the neighboring frames. A maximum frame rate of 11.8 kHz was achieved. Results on test samples show good agreement with simple diffusion. The potential of extending the time resolution of XPCS beyond the limit set by the detector frame rate using dual counters is also discussed.

A small-angle neutron scattering study of the kinetics of phase separation in a supersaturated Ni-12.5 at. pct Si alloy

NASA Astrophysics Data System (ADS)

Polat, S.; Chen, Haydn; Epperson, J. E.

1989-04-01

The kinetic behavior of precipitation in a supersaturated Ni-12.5 at. pct Si alloy single crystal has been studied by the small-angle neutron scattering (SANS) technique to supplement earlier transmission electron microscopy (TEM) and wide-angle X-ray diffraction (XRD) work. The SANS measurements performed at room temperature on quenched specimens subjected to isothermal anneals at 400, 450, 505, and 550 °C for various amounts of time have revealed the presence of an interference peak in the scattering function. The particle size, determined according to the Guinier approximation, is found to grow in accordance with the diffusion controlled model put forth by Lifshitz and Slyozov, and independently by Wagner. The activation energy for solute diffusion is determined using the rate constants governing the growth of particle size and the variation of the mean interparticle distance. Results are in agreement with the values given in the literature. Transition from an earlier growth stage has been observed, and enhanced diffusion is noted at temperatures below 505 °C; both observations are consistent with the previous X-ray results. The dynamical scaling law appears to be followed by the data obtained in the coarsening stage. A disruption of scaling occurs at the point when the particle growth changes from a parabolic rate behavior to a cubic coarsening rate. Dynamical scaling offers the potential for projecting the service lifetimes for components from experimental measurements carried out over a much shorter time interval. Discrepancies in the size parameters determined by different techniques are discussed.

Compton tomography system

DOEpatents

Grubsky, Victor; Romanoov, Volodymyr; Shoemaker, Keith; Patton, Edward Matthew; Jannson, Tomasz

2016-02-02

A Compton tomography system comprises an x-ray source configured to produce a planar x-ray beam. The beam irradiates a slice of an object to be imaged, producing Compton-scattered x-rays. The Compton-scattered x-rays are imaged by an x-ray camera. Translation of the object with respect to the source and camera or vice versa allows three-dimensional object imaging.

A CHANDRA OBSERVATION OF SNR 0540 - 697

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seward, F. D.; Williams, R. M.; Chu, Y.-H.

2010-07-15

This paper describes a Chandra observation of SNR 0540 - 697 within the H II complex N159 in the Large Magellanic Cloud (LMC). Scattering from the nearby bright source LMC X-1, which obscures the western edge of the remnant, has been removed. Larger than previously believed, the 2.'0 x 2.'8 remnant is defined by optical filaments and two lobes of X-ray emission. A band of intervening material absorbs X-rays from the central part of the remnant. The N Lobe of the remnant is relatively bright and well defined, while emission from the S Lobe is much weaker. There is structuremore » within the N Lobe but no clear X-ray emission from an outer shell indicating a shock in the interstellar medium. The X-ray spectrum is thermal with emission lines from Fe, Mg, and Si. The observed temperature and luminosity of the hot gas are 0.6 keV and 6 x 10{sup 35} erg s{sup -1}, respectively. These are consistent with characteristics expected for older remnants. There is also diffuse thermal X-ray emission north of N159 extending into N160, evidence for a larger remnant or bubble.« less

First refraction contrast imaging via Laser-Compton Scattering X-ray at KEK

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sakaue, Kazuyuki; Aoki, Tatsuro; Washio, Masakazu

2012-07-31

Laser-Compton Scattering (LCS) is one of the most feasible techniques for high quality, high brightness, and compact X-ray source. High energy electron beam produced by accelerators scatters off the laser photon at a small spot. As a laser target, we have been developing a pulsedlaser storage cavity for increasing an X-ray flux. The X-ray flux was still inadequate that was 2.1 Multiplication-Sign 10{sup 5}/sec, however, we performed first refraction contrast imaging in order to evaluate the quality of LCS X-ray. Edge enhanced contrast imaging was achieved by changing the distance from sample to detector. The edge enhancement indicates that themore » LCS X-ray has small source size, i.e. high brightness. We believe that the result has demonstrated good feasibility of linac-based high brightness X-ray sources via laser-electron Compton scatterings.« less

Small Angle X-ray Scattering for Nanoparticle Research

DOE PAGES

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

2016-04-07

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

Small Angle X-ray Scattering for Nanoparticle Research

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

Optimized Detector Angular Configuration Increases the Sensitivity of X-ray Fluorescence Computed Tomography (XFCT).

PubMed

Ahmad, Moiz; Bazalova-Carter, Magdalena; Fahrig, Rebecca; Xing, Lei

2015-05-01

In this work, we demonstrated that an optimized detector angular configuration based on the anisotropic energy distribution of background scattered X-rays improves X-ray fluorescence computed tomography (XFCT) detection sensitivity. We built an XFCT imaging system composed of a bench-top fluoroscopy X-ray source, a CdTe X-ray detector, and a phantom motion stage. We imaged a 6.4-cm-diameter phantom containing different concentrations of gold solution and investigated the effect of detector angular configuration on XFCT image quality. Based on our previous theoretical study, three detector angles were considered. The X-ray fluorescence detector was first placed at 145 (°) (approximating back-scatter) to minimize scatter X-rays. XFCT image quality was compared to images acquired with the detector at 60 (°) (forward-scatter) and 90 (°) (side-scatter). The datasets for the three different detector positions were also combined to approximate an isotropically arranged detector. The sensitivity was optimized with detector in the 145 (°) back-scatter configuration counting the 78-keV gold Kβ1 X-rays. The improvement arose from the reduced energy of scattered X-ray at the 145 (°) position and the large energy separation from gold K β1 X-rays. The lowest detected concentration in this configuration was 2.5 mgAu/mL (or 0.25% Au with SNR = 4.3). This concentration could not be detected with the 60 (°) , 90 (°) , or isotropic configurations (SNRs = 1.3, 0, 2.3, respectively). XFCT imaging dose of 14 mGy was in the range of typical clinical X-ray CT imaging doses. To our knowledge, the sensitivity achieved in this experiment is the highest in any XFCT experiment using an ordinary bench-top X-ray source in a phantom larger than a mouse ( > 3 cm).

Fluorescent x-ray computed tomography to visualize specific material distribution

NASA Astrophysics Data System (ADS)

Takeda, Tohoru; Yuasa, Tetsuya; Hoshino, Atsunori; Akiba, Masahiro; Uchida, Akira; Kazama, Masahiro; Hyodo, Kazuyuki; Dilmanian, F. Avraham; Akatsuka, Takao; Itai, Yuji

1997-10-01

Fluorescent x-ray computed tomography (FXCT) is being developed to detect non-radioactive contrast materials in living specimens. The FXCT systems consists of a silicon channel cut monochromator, an x-ray slit and a collimator for detection, a scanning table for the target organ and an x-ray detector for fluorescent x-ray and transmission x-ray. To reduce Compton scattering overlapped on the K(alpha) line, incident monochromatic x-ray was set at 37 keV. At 37 keV Monte Carlo simulation showed almost complete separation between Compton scattering and the K(alpha) line. Actual experiments revealed small contamination of Compton scattering on the K(alpha) line. A clear FXCT image of a phantom was obtained. Using this system the minimal detectable dose of iodine was 30 ng in a volume of 1 mm3, and a linear relationship was demonstrated between photon counts of fluorescent x-rays and the concentration of iodine contrast material. The use of high incident x-ray energy allows an increase in the signal to noise ratio by reducing the Compton scattering on the K(alpha) line.

New developments in high pressure x-ray spectroscopy beamline at High Pressure Collaborative Access Team

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao, Y. M., E-mail: yxiao@carnegiescience.edu; Chow, P.; Boman, G.

The 16 ID-D (Insertion Device - D station) beamline of the High Pressure Collaborative Access Team at the Advanced Photon Source is dedicated to high pressure research using X-ray spectroscopy techniques typically integrated with diamond anvil cells. The beamline provides X-rays of 4.5-37 keV, and current available techniques include X-ray emission spectroscopy, inelastic X-ray scattering, and nuclear resonant scattering. The recent developments include a canted undulator upgrade, 17-element analyzer array for inelastic X-ray scattering, and an emission spectrometer using a polycapillary half-lens. Recent development projects and future prospects are also discussed.

Dynamical scattering in coherent hard x-ray nanobeam Bragg diffraction

NASA Astrophysics Data System (ADS)

Pateras, A.; Park, J.; Ahn, Y.; Tilka, J. A.; Holt, M. V.; Kim, H.; Mawst, L. J.; Evans, P. G.

2018-06-01

Unique intensity features arising from dynamical diffraction arise in coherent x-ray nanobeam diffraction patterns of crystals having thicknesses larger than the x-ray extinction depth or exhibiting combinations of nanoscale and mesoscale features. We demonstrate that dynamical scattering effects can be accurately predicted using an optical model combined with the Darwin theory of dynamical x-ray diffraction. The model includes the highly divergent coherent x-ray nanobeams produced by Fresnel zone plate focusing optics and accounts for primary extinction, multiple scattering, and absorption. The simulation accurately reproduces the dynamical scattering features of experimental diffraction patterns acquired from a GaAs/AlGaAs epitaxial heterostructure on a GaAs (001) substrate.

A radially accessible tubular in situ X-ray cell for spatially resolved operando scattering and spectroscopic studies of electrochemical energy storage devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Hao; Allan, Phoebe K.; Borkiewicz, Olaf J.

2016-09-16

A tubularoperandoelectrochemical cell has been developed to allow spatially resolved X-ray scattering and spectroscopic measurements of individual cell components, or regions thereof, during device operation. These measurements are enabled by the tubular cell geometry, wherein the X-ray-transparent tube walls allow radial access for the incident and scattered/transmitted X-ray beam; by probing different depths within the electrode stack, the transformation of different components or regions can be resolved. The cell is compatible with a variety of synchrotron-based scattering, absorption and imaging methodologies. The reliability of the electrochemical cell and the quality of the resulting X-ray scattering and spectroscopic data are demonstratedmore » for two types of energy storage: the evolution of the distribution of the state of charge of an Li-ion battery electrode during cycling is documented using X-ray powder diffraction, and the redistribution of ions between two porous carbon electrodes in an electrochemical double-layer capacitor is documented using X-ray absorption near-edge spectroscopy.« less

Optimization of Al2O3/TiO2/Al 2O3 Multilayer Antireflection Coating With X-Ray Scattering Techniques

NASA Astrophysics Data System (ADS)

Li, Chao

Broadband multilayer antireflection coatings (ARCs) are keys to improving solar cell efficiencies. The goal of this dissertation is to optimize the multilayer Al2O3/TiO2/Al2O 3 ARC designed for a III-V space multi-junction solar cell with understanding influences of post-annealing and varying deposition parameters on the optical properties. Accurately measuring optical properties is important in accessing optical performances of ARCs. The multilayer Al2O3/TiO 2/Al2O3 ARC and individual Al2O 3 and TiO2 layers were characterized by a novel X-ray reflectivity (XRR) method and a combined method of grazing-incidence small angle X-ray scattering (GISAXS), atomic force microscopy (AFM), and XRR developed in this study. The novel XRR method combining an enhanced Fourier analysis with specular XRR simulation effectively determines layer thicknesses and surface and interface roughnesses and/or grading with sub-nanometer precision, and densities less than three percent uncertainty. Also, the combined method of GISAXS, AFM, and XRR characterizes the distribution of pore size with one-nanometer uncertainty. Unique to this method, the diffuse scattering from surface and interface roughnesses is estimated with surface parameters (root mean square roughness sigma, lateral correlation length ξ, and Hurst parameter h) obtained from AFM, and layer densities, surface grading and interface roughness/grading obtained from specular XRR. It is then separated from pore scattering. These X-ray scattering techniques obtained consistent results and were validated by other techniques including optical reflectance, spectroscopic ellipsometry (SE), glancing incidence X-ray diffraction, transmission electron microscopy and energy dispersive X-ray spectroscopy. The ARCs were deposited by atomic layer deposition with standard parameters at 200 °C. The as-deposited individual Al2O3 layer on Si is porous and amorphous as indicated by the combined methods of GISAXS, AFM, and XRR. Both post-annealing at 400 °C for 40 min in air and varying ALD parameters can eliminate pores, and lead to consistent increases in density and refractive index determined by the XRR method, SE, and optical reflectance measurements. After annealing, the layer remains amorphous. On the other hand, the as-deposited TiO 2 layer is non-porous and amorphous. It is densified and crystallized after annealing at 400 °C for 10 min in air. The multilayer Al2O 3/TiO2/Al2O3 ARC deposited on Si has surface and interface roughnesses and/or grading on the order of one nanometer. Annealing at 400 °C for 10 min in air induces densification and crystallization of the amorphous TiO2 layer as well as possible chemical reactions between TiO2 and Si diffusing from the substrate. On the other hand, Al2O3 layers remain amorphous after annealing. The thickness of the top Al2O3 layer decreases - likely due to interdiffusion between the top two layers and loss of hydrogen from hydroxyl groups initially present in the ALD layers. The thickness of the bottom Al2O3 layer increases, probably due to the diffusion of Si atoms into the bottom layer. In addition, the multilayer Al 2O3/TiO2/Al2O3 ARC was deposited on AlInP (30nm) / GaInP (100nm) / GaAs that includes the topmost layers of III-V multi-junction solar cells. Reflectance below 5 % is achieved within nearly the whole wavelength range of the current-limiting sub-cell. Also, internal scattering occurs in the TiO2 layer possibly associated with the initiated crystallization in the TiO2 layer while absent in the amorphous Al2O3 layers.

ACCURATE MODELING OF X-RAY EXTINCTION BY INTERSTELLAR GRAINS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffman, John; Draine, B. T., E-mail: jah5@astro.princeton.edu, E-mail: draine@astro.princeton.edu

Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must bemore » taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.« less

Elucidation of structure and nature of the PdO-Pd transformation using in situ PDF and XAS techniques.

PubMed

Keating, Jonathan; Sankar, Gopinathan; Hyde, Timothy I; Kohara, Shinji; Ohara, Koji

2013-06-14

The PdO-Pd phase transformation in a 4 wt% Pd/Al2O3 catalyst has been investigated using in situ X-ray absorption spectroscopy (XAS) and in situ X-ray total scattering (also known as high-energy X-ray diffraction) techniques. Both the partial and total pair distribution functions (PDF) from these respective techniques have been analysed in depth. New information from PDF analysis of total scattering data has been garnered using the differential PDF (d-PDF) approach where only correlations orginating from PdO and metallic Pd are extracted. This method circumvents problems encountered in characerising the catalytically active components due to the diffuse scattering from the disordered γ-Al2O3 support phase. Quantitative analysis of the palladium components within the catalyst allowed for the phase composition to be established at various temperatures. Above 850 °C it was found that PdO had converted to metallic Pd, however, the extent of reduction was of the order ca. 70% Pd metal and 30% PdO. Complementary in situ XANES and EXAFS were performed, with heating to high temperature and subsequent cooling in air, and the results of the analyses support the observations, that residual PdO is detected at elevated temperatures. Hysteresis in the transformation upon cooling is confirmed from XAS studies where reoxidation occurs below 680 °C.

Surface morphology of vacuum-evaporated pentacene film on Si substrate studied by in situ grazing-incidence small-angle X-ray scattering: I. The initial stage of formation of pentacene film

NASA Astrophysics Data System (ADS)

Hirosawa, Ichiro; Watanabe, Takeshi; Koganezawa, Tomoyuki; Kikuchi, Mamoru; Yoshimoto, Noriyuki

2018-03-01

The progress of the surface morphology of a growing sub-monolayered pentacene film on a Si substrate was studied by in situ grazing-incidence small angle X-ray scattering (GISAXS). The observed GISAXS profiles did not show sizes of pentacene islands but mainly protuberances on the boundaries around pentacene film. Scattering of X-ray by residual pits in the pentacene film was also detected in the GISAXS profiles of an almost fully covered film. The average radius of pentacene protuberances increased from 13 to 24 nm as the coverage increased to 0.83 monolayer, and the most frequent radius was almost constant at approximately 9 nm. This result suggests that the population of larger protuberances increase with increasing lengths of boundaries of the pentacene film. It can also be considered that the detected protuberances were crystallites of pentacene, since the average size of protuberances was nearly equal to crystallite sizes of pentacene films. The almost constant characteristic distance of 610 nm and amplitudes of pair correlation functions at low coverages suggest that the growth of pentacene films obeyed the diffusion-limited aggregation (DLA) model, as previously reported. It is also considered that the sites of islands show a triangular distribution for small variations of estimated correlation distances.

Dynamics of Block Copolymer Nanocomposites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mochrie, Simon G. J.

2014-09-09

A detailed study of the dynamics of cadmium sulfide nanoparticles suspended in polystyrene homopolymer matrices was carried out using X-ray photon correlation spectroscopy for temperatures between 120 and 180 °C. For low molecular weight polystyrene homopolymers, the observed dynamics show a crossover from diffusive to hyper-diffusive behavior with decreasing temperatures. For higher molecular weight polystyrene, the nanoparticle dynamics appear hyper-diffusive at all temperatures studied. The relaxation time and characteristic velocity determined from the measured hyper-diffusive dynamics reveal that the activation energy and underlying forces determined are on the order of 2.14 × 10-19 J and 87 pN, respectively. We alsomore » carried out a detailed X-ray scattering study of the static and dynamic behavior of a styrene– isoprene diblock copolymer melt with a styrene volume fraction of 0.3468. At 115 and 120 °C, we observe splitting of the principal Bragg peak, which we attribute to phase coexistence of hexagonal cylindrical and cubic double- gyroid structure. In the disordered phase, above 130 °C, we have characterized the dynamics of composition fluctuations via X-ray photon correlation spectroscopy. Near the peak of the static structure factor, these fluctuations show stretched-exponential relaxations, characterized by a stretching exponent of about 0.36 for a range of temperatures immediately above the MST. The corresponding characteristic relaxation times vary exponentially with temperature, changing by a factor of 2 for each 2 °C change in temperature. At low wavevectors, the measured relaxations are diffusive with relaxation times that change by a factor of 2 for each 8 °C change in temperature.« less

Diffusion induced atomic islands on the surface of Ni/Cu nanolayers

NASA Astrophysics Data System (ADS)

Takáts, Viktor; Csik, Attila; Hakl, József; Vad, Kálmán

2018-05-01

Surface islands formed by grain-boundary diffusion has been studied in Ni/Cu nanolayers by in-situ low energy ion scattering spectroscopy, X-ray photoelectron spectroscopy, scanning probe microscopy and ex-situ depth profiling based on ion sputtering. In this paper a new experimental approach of measurement of grain-boundary diffusion coefficients is presented. Appearing time of copper atoms diffused through a few nanometer thick nickel layer has been detected by low energy ion scattering spectroscopy with high sensitivity. The grain-boundary diffusion coefficient can be directly calculated from this appearing time without using segregation factors in calculations. The temperature range of 423-463 K insures the pure C-type diffusion kinetic regime. The most important result is that surface coverage of Ni layer by Cu atoms reaches a maximum during annealing and stays constant if the annealing procedure is continued. Scanning probe microscopy measurements show a Volmer-Weber type layer growth of Cu layer on the Ni surface in the form of Cu atomic islands. Depth distribution of Cu in Ni layer has been determined by depth profile analysis.

Demonstration of x-ray Thomson scattering using picosecond K-α x-ray sources in the characterization of dense heated matter

DOE PAGES

Kritcher, A. L.; Neumayer, P.; Lee, H. J.; ...

2008-10-31

Here, we present K-α x-ray Thomson scattering from shock compressed matter for use as a diagnostic in determining the temperature, density, and ionization state with picosecond resolution. The development of this source as a diagnostic as well as stringent requirements for successful K-α x-ray Thomson scattering are addressed. Here, the first elastic and inelastic scattering measurements on a medium size laser facility have been observed. We present scattering data from solid density carbon plasmas with >1X 10 5 photons in the elastic peak that validate the capability of single shot characterization of warm dense matter and the ability to usemore » this scattering source at future free electron lasers and for fusion experiments at the National Ignition Facility (NIF), LLNL.« less

Diffraction based method to reconstruct the spectrum of the Thomson scattering x-ray source

NASA Astrophysics Data System (ADS)

Chi, Zhijun; Yan, Lixin; Zhang, Zhen; Zhou, Zheng; Zheng, Lianmin; Wang, Dong; Tian, Qili; Wang, Wei; Nie, Zan; Zhang, Jie; Du, Yingchao; Hua, Jianfei; Shi, Jiaru; Pai, Chihao; Lu, Wei; Huang, Wenhui; Chen, Huaibi; Tang, Chuanxiang

2017-04-01

As Thomson scattering x-ray sources based on the collision of intense laser and relativistic electrons have drawn much attention in various scientific fields, there is an increasing demand for the effective methods to reconstruct the spectrum information of the ultra-short and high-intensity x-ray pulses. In this paper, a precise spectrum measurement method for the Thomson scattering x-ray sources was proposed with the diffraction of a Highly Oriented Pyrolytic Graphite (HOPG) crystal and was demonstrated at the Tsinghua Thomson scattering X-ray source. The x-ray pulse is diffracted by a 15 mm (L) ×15 mm (H)× 1 mm (D) HOPG crystal with 1° mosaic spread. By analyzing the diffraction pattern, both x-ray peak energies and energy spectral bandwidths at different polar angles can be reconstructed, which agree well with the theoretical value and simulation. The higher integral reflectivity of the HOPG crystal makes this method possible for single-shot measurement.

Diffraction based method to reconstruct the spectrum of the Thomson scattering x-ray source.

PubMed

Chi, Zhijun; Yan, Lixin; Zhang, Zhen; Zhou, Zheng; Zheng, Lianmin; Wang, Dong; Tian, Qili; Wang, Wei; Nie, Zan; Zhang, Jie; Du, Yingchao; Hua, Jianfei; Shi, Jiaru; Pai, Chihao; Lu, Wei; Huang, Wenhui; Chen, Huaibi; Tang, Chuanxiang

2017-04-01

As Thomson scattering x-ray sources based on the collision of intense laser and relativistic electrons have drawn much attention in various scientific fields, there is an increasing demand for the effective methods to reconstruct the spectrum information of the ultra-short and high-intensity x-ray pulses. In this paper, a precise spectrum measurement method for the Thomson scattering x-ray sources was proposed with the diffraction of a Highly Oriented Pyrolytic Graphite (HOPG) crystal and was demonstrated at the Tsinghua Thomson scattering X-ray source. The x-ray pulse is diffracted by a 15 mm (L) ×15 mm (H)× 1 mm (D) HOPG crystal with 1° mosaic spread. By analyzing the diffraction pattern, both x-ray peak energies and energy spectral bandwidths at different polar angles can be reconstructed, which agree well with the theoretical value and simulation. The higher integral reflectivity of the HOPG crystal makes this method possible for single-shot measurement.

Investigating the origins of nanostructural variations in differential ethnic hair types using X-ray scattering techniques.

PubMed

Wade, M; Tucker, I; Cunningham, P; Skinner, R; Bell, F; Lyons, T; Patten, K; Gonzalez, L; Wess, T

2013-10-01

Human hair is a major determinant of visual ethnic differentiation. Although hair types are celebrated as part of our ethnic diversity, the approach to hair care has made the assumption that hair types are structurally and chemically similar. Although this is clearly not the case at the macroscopic level, the intervention of many hair treatments is at the nanoscopic and molecular levels. The purpose of the work presented here is to identify the main nanoscopic and molecular hierarchical differences across five different ethnic hair types from hair fibres taken exclusively from the scalp. These are Afro (subdivided into elastic 'rubber' and softer non-elastic 'soft'), Chinese, European and Mullato (mixed race). Small angle X-Ray scattering (SAXS) is a technique capable of resolving nanostructural variations in complex materials. Individual hair fibres from different ethnic hair types were used to investigate structural features found in common and also specific to each type. Simultaneous wide angle X-Ray scattering (WAXS) was used to analyse the submolecular level structure of the fibrous keratin present. The data sets from both techniques were analysed with principal component analysis (PCA) to identify underlying variables. Principal component analysis of both SAXS and WAXS data was shown to discriminate the scattering signal between different hair types. The X-ray scattering results show a common underlying keratin intermediate filament (KIF) structure. However, distinct differences were observed in the preferential orientation and intensity signal from the lipid component of the hair. In addition, differences were observed in the intensity distribution of the very low-angle sample-dependent diffuse scatter surrounding the 'beamstop.' The results indicate that the fibrous keratin scaffold remains consistent between ethnic hair types. The hierarchies made by these may be modulated by variation in the content of keratin-associated proteins (KAPs) and lipids that alter the interfacial structures and lead to macroscopic differences in hair morphology. © 2013 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

X-Ray Scattering Echoes and Ghost Halos from the Intergalactic Medium: Relation to the Nature of AGN Variability

NASA Astrophysics Data System (ADS)

Corrales, Lia

2015-05-01

X-ray bright quasars might be used to trace dust in the circumgalactic and intergalactic medium through the phenomenon of X-ray scattering, which is observed around Galactic objects whose light passes through a sufficient column of interstellar gas and dust. Of particular interest is the abundance of gray dust larger than 0.1 μ m, which is difficult to detect at other wavelengths. To calculate X-ray scattering from large grains, one must abandon the traditional Rayleigh-Gans approximation. The Mie solution for the X-ray scattering optical depth of the universe is ∼ 1%. This presents a great difficulty for distinguishing dust scattered photons from the point source image of Chandra, which is currently unsurpassed in imaging resolution. The variable nature of AGNs offers a solution to this problem, as scattered light takes a longer path and thus experiences a time delay with respect to non-scattered light. If an AGN dims significantly (≳ 3 dex) due to a major feedback event, the Chandra point source image will be suppressed relative to the scattering halo, and an X-ray echo or ghost halo may become visible. I estimate the total number of scattering echoes visible by Chandra over the entire sky: {{N}ech}∼ {{10}3}({{ν }fb}/y{{r}-1}), where {{ν }fb} is the characteristic frequency of feedback events capable of dimming an AGN quickly.

COSMIC-RAY PITCH-ANGLE SCATTERING IN IMBALANCED MHD TURBULENCE SIMULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weidl, Martin S.; Jenko, Frank; Teaca, Bogdan

2015-09-20

Pitch-angle scattering rates for cosmic-ray particles in MHD simulations with imbalanced turbulence are calculated for fully evolving electromagnetic turbulence. We compare with theoretical predictions derived from the quasilinear theory of cosmic-ray diffusion for an idealized slab spectrum and demonstrate how cross helicity affects the shape of the pitch-angle diffusion coefficient. Additional simulations in evolving magnetic fields or static field configurations provide evidence that the scattering anisotropy in imbalanced turbulence is not primarily due to coherence with propagating Alfvén waves, but an effect of the spatial structure of electric fields in cross-helical MHD turbulence.

Influence of the angular scattering of electrons on the runaway threshold in air

NASA Astrophysics Data System (ADS)

Chanrion, O.; Bonaventura, Z.; Bourdon, A.; Neubert, T.

2016-04-01

The runaway electron mechanism is of great importance for the understanding of the generation of x- and gamma rays in atmospheric discharges. In 1991, terrestrial gamma-ray flashes (TGFs) were discovered by the Compton Gamma-Ray Observatory. Those emissions are bremsstrahlung from high energy electrons that run away in electric fields associated with thunderstorms. In this paper, we discuss the runaway threshold definition with a particular interest in the influence of the angular scattering for electron energy close to the threshold. In order to understand the mechanism of runaway, we compare the outcome of different Fokker-Planck and Monte Carlo models with increasing complexity in the description of the scattering. The results show that the inclusion of the stochastic nature of collisions smooths the probability to run away around the threshold. Furthermore, we observe that a significant number of electrons diffuse out of the runaway regime when we take into account the diffusion in angle due to the scattering. Those results suggest using a runaway threshold energy based on the Fokker-Planck model assuming the angular equilibrium that is 1.6 to 1.8 times higher than the one proposed by [1, 2], depending on the magnitude of the ambient electric field. The threshold also is found to be 5 to 26 times higher than the one assuming forward scattering. We give a fitted formula for the threshold field valid over a large range of electric fields. Furthermore, we have shown that the assumption of forward scattering is not valid below 1 MeV where the runaway threshold usually is defined. These results are important for the thermal runaway and the runaway electron avalanche discharge mechanisms suggested to participate in the TGF generation.

Image Properties of an X-Ray Telescope of the Wolter-1 Type with Emphasis on Contrast Reduction by Diffuse Reflection. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Lenzen, R.

1980-01-01

Theoretical and experimental results are presented on the geometrical-optic imaging properties of a Wolter-1 type paraboloid-hyperboloid X-ray telescope. Particular consideration is given to the effect of microroughness of the mirror on the imaging properties. Experiments were conducted in which scattering properties were determined as a function of wavelength, incidence angle, and roughness of the plane mirrors. Results indicate the need for optimization of mirror material and polishing technology as well as the development of improved mirror manufacturing techniques. The use of transmission gratings along with the Wolter-1 type telescope in spectroscopy applications is discussed.

Solving the mystery of the internal structure of casein micelles.

PubMed

Ingham, B; Erlangga, G D; Smialowska, A; Kirby, N M; Wang, C; Matia-Merino, L; Haverkamp, R G; Carr, A J

2015-04-14

The interpretation of milk X-ray and neutron scattering data in relation to the internal structure of the casein micelle is an ongoing debate. We performed resonant X-ray scattering measurements on liquid milk and conclusively identified key scattering features, namely those corresponding to the size of and the distance between colloidal calcium phosphate particles. An X-ray scattering feature commonly assigned to the particle size is instead due to protein inhomogeneities.

Diffuse X-ray sky in the Galactic center

NASA Astrophysics Data System (ADS)

Koyama, Katsuji

2018-01-01

The Galactic diffuse X-ray emission (GDXE) in the Milky Way Galaxy is spatially and spectrally decomposed into the Galactic center X-ray emission (GCXE), the Galactic ridge X-ray emission (GRXE), and the Galactic bulge X-ray emission (GBXE). The X-ray spectra of the GDXE are characterized by the strong K-shell lines of the highly ionized atoms, and the brightest lines are the K-shell transition (principal quantum number transition of n = 2 → 1) of neutral iron (Fe I-Kα), He-like iron (Fe XXV-Heα), and He-like sulfur (S XV-Heα). Accordingly, the GDXE is composed of a high-temperature plasma of ˜7 keV (HTP) and a low-temperature plasma of ˜1 keV, which emit the Fe XXV-Heα and S XV-Heα lines, respectively. The Fe I-Kα line is emitted from nearly neutral irons, and hence the third component of the GDXE is a cool gas (CG). The Fe I-Kα distribution in the GCXE region is clumpy (Fe I-Kα clump), associated with giant molecular cloud (MC) complexes (Sagittarius A, B, C, D, and E) in the central molecular zone. The origin of the Fe I-Kα clumps is the fluorescence and Thomson scattering from the MCs irradiated by past big flares of the supermassive black hole Sagittarius A*. The scale heights and equivalent widths of the Fe I-Kα, Fe XXV-Heα, and Fe XXVI-Lyα (n = 2 → 1 transition of H-like iron) lines are different among the GCXE, GBXE, and GRXE. Therefore, their structures and origins are separately examined. This paper gives an overview of the research history and the present understandings of the GDXE, while in particular focusing on the origin of the HTP and CG in the GCXE.

A new theory for X-ray diffraction.

PubMed

Fewster, Paul F

2014-05-01

This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the `Bragg position' even if the `Bragg condition' is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many `Bragg positions'. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on `Bragg-type' scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the `background'. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

Astrophysical gamma-ray production by inverse Compton interactions of relativistic electrons

NASA Technical Reports Server (NTRS)

Schlickeiser, R.

1979-01-01

The inverse Compton scattering of background photon gases by relativistic electrons is a good candidate for the production of high-energy gamma rays in the diffuse interstellar medium as well as in discrete sources. By discussing the special case of the scattering of the diffuse starlight in the interstellar medium by cosmic ray electrons, we demonstrate that previous derivations of the gamma ray source function for this process on the basis of the Thomson limit of the Klein-Nishina cross section lead to incorrect values for gamma-ray energies above 100 MeV. It is shown that the Thomson limit is not applicable for the calculation of gamma-ray source functions in astrophysical circumstances in which target photons with energies greater than 1 eV are scattered by relativistic electrons.

Structural characterization of sol-gel derived oxide nanostuctures using synchrotron x-ray techniques

NASA Astrophysics Data System (ADS)

Sun, Tao

Ceramic oxides possess extraordinarily rich functionalities. With the advent of nanofabrication techniques, it is now possible to grow nanostructured oxides with precise control of composition, morphology, and microstructure, which has re-vitalized the research in the field of traditional ceramics. The unexpected behavior and enhanced properties of oxide nanostructures have been extensively reported. However, knowledge about the underlying mechanisms as well as structural implications is still quite limited. Therefore, it is imperative to develop and employ sophisticated characterization tools for unraveling the structure-property relationships for oxide nanostructures. The present thesis work aims at addressing the critical issues associated with fabrication, and more importantly, structural characterization of functional oxide nanostructures. The dissertation starts with introducing the strategy for synthesizing phase-pure and highly controlled oxide nanostructures using sol-gel deposition and an innovative approach called "soft" electron beam lithography. Some specific oxides are chosen for the present study, such as BiFeO3, CoFe2O4, and SnO2, because of their scientific and technological significance. Subsequent to fabrication of tailored oxide nanostructures, advanced synchrotron x-ray scattering techniques have been applied for structural characterization. The nucleation and growth behavior of BiFeO3 thin film was investigated using in situ grazing-incidence small-angle x-ray scattering (GISAXS) technique. The results reveal that the kinetics for early-stage nuclei growth are governed by the oriented-attachment model. Moreover, the porous structures of undoped and Pd-doped semiconducting SnOx thin films were quantitatively characterized using GISAXS. By correlating the structural parameters with H2 sensitivity of SnOx films, it is found out that the microstructure of doped film is favorable for gas sensing, but it is not the major reason for the overall property enhancement arising from the dopant. Furthermore, a novel method based on scanning x-ray microdiffraction technique is proposed and applied for probing the strain distribution around individual CoFe2O4 nanoline epitaxially grown on MgO substrate. It is demonstrated that x-ray diffuse scattering intensity can be used to gauge the edge-induced subtle strain variation. The dissertation underscores the need for quantitative understanding of structural underpinning in the mechanisms and behavior of oxide nanostructures, and highlights the role of advanced synchrotron x-ray scattering approaches.

Behind the dust curtain: the spectacular case of GRB 160623A

NASA Astrophysics Data System (ADS)

Pintore, F.; Tiengo, A.; Mereghetti, S.; Vianello, G.; Salvaterra, R.; Esposito, P.; Costantini, E.; Giuliani, A.; Bosnjak, Z.

2017-12-01

We report on the X-ray dust-scattering features observed around the afterglow of the gamma-ray burst GRB 160623A. With an XMM-Newton observation carried out ∼2 d after the burst, we found evidence of at least six rings, with angular size expanding between ∼2 and 9 arcmin, as expected for X-ray scattering of the prompt gamma-ray burst (GRB) emission by dust clouds in our Galaxy. From the expansion rate of the rings, we measured the distances of the dust layers with extraordinary precision: 528.1 ± 1.2, 679.2 ± 1.9, 789.0 ± 2.8, 952 ± 5, 1539 ± 20 and 5079 ± 64 pc. A spectral analysis of the ring spectra, based on an appropriate dust-scattering model (BARE-GR-B) and the estimated burst fluence, allowed us to derive the column density of the individual dust layers, which are in the range 7 × 1020-1.5 × 1022 cm-2. The farthest dust layer (i.e. the one responsible for the smallest ring) is also the one with the lowest column density and it is possibly very extended, indicating a diffuse dust region. The properties derived for the six dust layers (distance, thickness and optical depth) are generally in good agreement with independent information on the reddening along this line of sight and on the distribution of molecular and atomic gas.

X-ray Scattering Combined with Coordinate-Based Analyses for Applications in Natural and Artificial Photosynthesis

PubMed Central

Tiede, David M.; Mardis, Kristy L.; Zuo, Xiaobing

2009-01-01

Advances in x-ray light sources and detectors have created opportunities for advancing our understanding of structure and structural dynamics for supramolecular assemblies in solution by combining x-ray scattering measurement with coordinate-based modeling methods. In this review the foundations for x-ray scattering are discussed and illustrated with selected examples demonstrating the ability to correlate solution x-ray scattering measurements to molecular structure, conformation, and dynamics. These approaches are anticipated to have a broad range of applications in natural and artificial photosynthesis by offering possibilities for structure resolution for dynamic supramolecular assemblies in solution that can not be fully addressed with crystallographic techniques, and for resolving fundamental mechanisms for solar energy conversion by mapping out structure in light-excited reaction states. PMID:19636808

Local structure of Rb{sub 2}Li{sub 4}(SeO{sub 4}){sub 3}{center_dot}2H{sub 2}O by the modeling of X-ray diffuse scattering - from average-structure to microdomain model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Komornicka, Dorota; Wolcyrz, Marek, E-mail: m.wolcyrz@int.pan.wroc.pl; Pietraszko, Adam

2012-08-15

Local structure of dirubidium tetralithium tris(selenate(VI)) dihydrate - Rb{sub 2}Li{sub 4}(SeO{sub 4}){sub 3}{center_dot} 2H{sub 2}O has been determined basing on the modeling of X-ray diffuse scattering. The origin of observed structured diffuse streaks is SeO{sub 4} tetrahedra switching between two alternative positions in two quasi-planar layers existing in each unit cell and formation of domains with specific SeO{sub 4} tetrahedra configuration locally fulfilling condition for C-centering in the 2a Multiplication-Sign 2b Multiplication-Sign c superstructure cell. The local structure solution is characterized by a uniform distribution of rather large domains (ca. thousand of unit cells) in two layers, but also monodomainsmore » can be taken into account. Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming two-string ribbons. Inside the ribbons SeO{sub 4} and LiO{sub 4} tetrahedra share the oxygen corners, whereas ribbons are bound to each other by a net of hydrogen bonds and fastened by corner sharing SeO{sub 4} tetrahedra of the neighboring layers. - Graphical abstract: Experimental sections of the reciprocal space showing diffraction effects observed for RLSO. Bragg spots are visible on sections with integer indices (1 kl section - on the left), streaks - on sections with fractional ones (1.5 kl section - on the right). At the center: resulting local structure of the A package modeled as a microdomain: two-string ribbons of ordered oxygen-corners-sharing SeO{sub 4} and LiO{sub 4} terahedra extended along ab-diagonal are seen; ribbons are bound by hydrogen bonds (shown in pink); the multiplied 2a Multiplication-Sign 2b unit cell is shown. Highlights: Black-Right-Pointing-Pointer X-ray diffuse scattering in RLSO was registered and modeled. Black-Right-Pointing-Pointer The origin of diffuse streaks is SeO{sub 4} tetrahedra switching in two structure layers. Black-Right-Pointing-Pointer The local structure is characterized by a uniform distribution of microdomains. Black-Right-Pointing-Pointer Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming ribbons. Black-Right-Pointing-Pointer The ribbons are bound to each other by a net of hydrogen bonds.« less

Thermally activated decomposition of (Ga,Mn)As thin layer at medium temperature post growth annealing

NASA Astrophysics Data System (ADS)

Melikhov, Y.; Konstantynov, P.; Domagala, J.; Sadowski, J.; Chernyshova, M.; Wojciechowski, T.; Syryanyy, Y.; Demchenko, I. N.

2016-05-01

The redistribution of Mn atoms in Ga1-xMnxAs layer during medium-temperature annealing, 250-450 oC, by Mn K-edge X-ray absorption fine structure (XAFS) recorded at ALBA facility, was studied. For this purpose Ga1-xMnxAs thin layer with x=0.01 was grown on AlAs buffer layer deposited on GaAs(100) substrate by molecular beam epitaxy (MBE) followed by annealing. The examined layer was detached from the substrate using a “lift-off” procedure in order to eliminate elastic scattering in XAFS spectra. Fourier transform analysis of experimentally obtained EXAFS spectra allowed to propose a model which describes a redistribution/diffusion of Mn atoms in the host matrix. Theoretical XANES spectra, simulated using multiple scattering formalism (FEFF code) with the support of density functional theory (WIEN2k code), qualitatively describe the features observed in the experimental fine structure.

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray free-electron lasers (XFELs). This anisotropy arises from the interaction of a linearly polarized UV–Vis pump laser pulse with the sample, which induces anisotropic structural changes that can be captured by femtosecond X-ray pulses. In this work, a method for quantitative analysis of the anisotropic scattering signal arising from an ensemble of molecules is described, and it is demonstrated how its use can enhance the structural sensitivity of the time-resolved X-ray scattering experiment. This method is applied on time-resolvedmore » X-ray scattering patterns measured upon photoexcitation of a solvated di-platinum complex at an XFEL, and the key parameters involved are explored. Here it is shown that a combined analysis of the anisotropic and isotropic difference scattering signals in this experiment allows a more precise determination of the main photoinduced structural change in the solute,i.e.the change in Pt—Pt bond length, and yields more information on the excitation channels than the analysis of the isotropic scattering only. Finally, it is discussed how the anisotropic transient response of the solvent can enable the determination of key experimental parameters such as the instrument response function.« less

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

DOE PAGES

Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca; ...

2018-02-13

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray free-electron lasers (XFELs). This anisotropy arises from the interaction of a linearly polarized UV–Vis pump laser pulse with the sample, which induces anisotropic structural changes that can be captured by femtosecond X-ray pulses. In this work, a method for quantitative analysis of the anisotropic scattering signal arising from an ensemble of molecules is described, and it is demonstrated how its use can enhance the structural sensitivity of the time-resolved X-ray scattering experiment. This method is applied on time-resolvedmore » X-ray scattering patterns measured upon photoexcitation of a solvated di-platinum complex at an XFEL, and the key parameters involved are explored. Here it is shown that a combined analysis of the anisotropic and isotropic difference scattering signals in this experiment allows a more precise determination of the main photoinduced structural change in the solute,i.e.the change in Pt—Pt bond length, and yields more information on the excitation channels than the analysis of the isotropic scattering only. Finally, it is discussed how the anisotropic transient response of the solvent can enable the determination of key experimental parameters such as the instrument response function.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chow, P., E-mail: pchow@carnegiescience.edu; Xiao, Y. M.; Rod, E.

2015-07-15

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

Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

DOE PAGES

Perret, Edith; Xu, Dongwei; Highland, M. J.; ...

2017-12-04

Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (10more » $$\\bar{1}$$0) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1$$\\bar{2}$$10] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. Furthermore, the island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growth rate F -n, with an exponent n=0.25±0.02. Our results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.« less

Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perret, Edith; Xu, Dongwei; Highland, M. J.

Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (1010) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1210] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. The island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growthmore » rate F-n, with an exponent n = 0:25 + 0.02. The results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.« less

Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perret, Edith; Xu, Dongwei; Highland, M. J.

Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (10more » $$\\bar{1}$$0) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1$$\\bar{2}$$10] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. Furthermore, the island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growth rate F -n, with an exponent n=0.25±0.02. Our results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.« less

Monte Carlo analysis of neutron diffuse scattering data

NASA Astrophysics Data System (ADS)

Goossens, D. J.; Heerdegen, A. P.; Welberry, T. R.; Gutmann, M. J.

2006-11-01

This paper presents a discussion of a technique developed for the analysis of neutron diffuse scattering data. The technique involves processing the data into reciprocal space sections and modelling the diffuse scattering in these sections. A Monte Carlo modelling approach is used in which the crystal energy is a function of interatomic distances between molecules and torsional rotations within molecules. The parameters of the model are the spring constants governing the interactions, as they determine the correlations which evolve when the model crystal structure is relaxed at finite temperature. When the model crystal has reached equilibrium its diffraction pattern is calculated and a χ2 goodness-of-fit test between observed and calculated data slices is performed. This allows a least-squares refinement of the fit parameters and so automated refinement can proceed. The first application of this methodology to neutron, rather than X-ray, data is outlined. The sample studied was deuterated benzil, d-benzil, C14D10O2, for which data was collected using time-of-flight Laue diffraction on SXD at ISIS.

Chemical Modification of Graphene Oxide by Nitrogenation: An X-ray Absorption and Emission Spectroscopy Study

DOE PAGES

Chuang, Cheng-Hao; Ray, Sekhar C.; Mazumder, Debarati; ...

2017-02-10

Nitrogen-doped graphene oxides (GO:N x) were synthesized by a partial reduction of graphene oxide (GO) using urea [CO(NH 2) 2 ]. Their electronic/bonding structures were investigated using X-ray absorption near-edge structure (XANES), valence-band photoemission spectroscopy (VB-PES), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS). During GO:N x synthesis, different nitrogen-bonding species, such as pyrrolic/graphitic-nitrogen, were formed by replacing of oxygen-containing functional groups. At lower N-content (2.7 at%), pyrrolic-N, owing to surface and subsurface diffusion of C, N and NH is deduced from various X-ray spectroscopies. In contrast, at higher N-content (5.0 at%) graphitic nitrogen was formed in whichmore » each N-atom trigonally bonds to three distinct sp 2 -hybridized carbons with substitution of the N-atoms for C atoms in the graphite layer. Upon nitrogen substitution, the total density of state close to Fermi level is increased to raise the valence-band maximum, as revealed by VB-PES spectra, indicating an electron donation from nitrogen, molecular bonding C/N/O coordination or/and lattice structure reorganization in GO:N x . The well-ordered chemical environments induced by nitrogen dopant are revealed by XANES and RIXS measurements.« less

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

NASA Astrophysics Data System (ADS)

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

2009-08-01

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

Fluctuating magnetic moments in liquid metals.

PubMed

Patty, Mark; Schoen, Keary; Montfrooij, Wouter

2006-02-01

We reanalyze literature data on neutron scattering by liquid metals and show that there is an additional broad (in energy) quasielastic mode present that is absent in x-ray scattering. This mode cannot be accounted for by the standard coherent and incoherent scattering mechanisms. We argue that this mode indicates that nonmagnetic liquid metals possess a magnetic moment which fluctuates on a picosecond time scale. This time scale is the same as the time scale of the cage-diffusion process in which an ion rattles around in the cage formed by its neighbors. We find that these fluctuating magnetic moments are present in liquid Hg, Al, Ga, and Pb and possibly also in the alkali metals.

Size Effects in Nanoscale Structural Phenomena

NASA Astrophysics Data System (ADS)

McElhinny, Kyle Matthew

The creation of nanostructures offers the opportunity to modify and tune properties in ways inaccessible in bulk materials. A key component in this development is the introduction of size effects which reduce the physical size, dimensionality, and increase the contribution of surface effects. The size effects strongly modify the structural dynamics in nanoscale systems and leads to changes in the vibrational, electrical, and optical properties. An increased level of understanding and control of nanoscale structural dynamics will enable more precise control over nanomaterial transport properties. My work has shown that 1D spatial confinement through the creation of semiconducting nanomembranes modifies the phonon population and dispersion. X ray thermal diffuse scattering distributions show an excess in intensity for nanomembranes less than 100 nm in thickness, for phonon modes with wavevectors spanning the entire Brillouin zone. This excess intensity indicates the development of new low energy phonon modes or the softening of elastic constants. Furthermore, an additional anisotropy in the phonon dispersion is observed with a symmetry matching the direction of spatial confinement. This work has also extended x ray thermal diffuse scattering for use in studying nanomaterials. In electro- and photoactive monolayers a structural reconfiguration can be produced by external optical stimuli. I have developed an electro and photoactive molecular monolayers on oxide surfaces. Using x ray reflectivity, I have evaluated the organization and reconfiguration of molecular monolayers deposited by Langmuir Blodgett technique. I have designed and probed the reconfiguration of optically reconfigurable monolayers of azobenzene donor molecules on semiconducting surfaces. These monolayers reconfigure through a cooperative switching process leading to the development of large isomeric domains. This work represents an advancement in the interpretation of x ray reflectivity from molecular monolayers and inhomogeneous surfaces. The growth 2D materials depends on the interactions between the substrate and the 2D material. I have studied the competition between kinetics and surface energetics which lead to a faceted Ge surface during the growth of Graphene nanoribbons. As part of this work, I have developed new methodologies for interpreting x ray reflectivity patterns from surfaces with multiple reflections. A systematic analysis of the temperature dependence of the faceting process indicates that the process is thermodynamically dominated at high temperatures.

Multiwavelength analysis of the Lyman-α emitting galaxy Haro 2: relation between the diffuse Lyman-α and soft X-ray emissions

NASA Astrophysics Data System (ADS)

Otí-Floranes, H.; Mas-Hesse, J. M.; Jiménez-Bailón, E.; Schaerer, D.; Hayes, M.; Östlin, G.; Atek, H.; Kunth, D.

2012-10-01

Context. Lyman-α emission is commonly used as star formation tracer in cosmological studies. Nevertheless, resonant scattering strongly affects the resulting luminosity, leading to variable and unpredictable escape fractions in different objects. Aims: To understand how the Lyα escape fraction depends on the properties of the star-forming regions, we need high spatial resolution multiwavelength studies of nearby Lyα emitters, like Haro 2. Methods: We study the Lyα emission of Haro 2 in connection with the properties of the young stellar population, the characteristics of the interstellar medium, the distribution and intensity of the Balmer emission lines and the properties of the X-ray emission. We have used HST-STIS spectral images along the major and minor axes of Haro 2 to characterize the Lyα emission, as well as FOC UV, WFPC-2 optical and NICMOS near infrared broadband-filter images to analyze the properties of the stellar population. WFPC-2 Hα image and ground-based spectroscopy allow us to study the Balmer emission lines. Finally, Chandra/ACIS X-ray images provide resolved distribution of the X-ray emission at various energy bands. The observational data are analyzed by comparison with the predictions from evolutionary synthesis models to constrain the properties of the star formation episode. Results: The UV, Hα and far infrared luminosities of the Haro 2 nuclear starburst are well reproduced assuming a young stellar population with ages ~3.5-5.0 Myr, affected by differential intestellar extinctions. A significant fraction of the stars are completely obscured in the UV, being identifiable only indirectly by their contribution to the ionization of the gas and to the far infrared emission. The diffuse soft X-ray emission extending over the whole source is attributed to gas heated by the mechanical energy released by the starburst. A compact hard X-ray emission (likely an UltraLuminous X-ray source) has been identified in a star-forming condensation to the southeast. Both compact and diffuse Lyα emission components are observed along the major and minor axes in STIS spectral images. Lyα is spatially decoupled from Balmer lines emission, Balmer decrement and UV continuum. However, the diffuse Lyα component is spatially correlated with the diffuse soft X-ray emission. Moreover, unlike the compact Lyα emission, diffuse Lyα shows luminosities larger than predicted from Hα, assuming case B recombination and considering the dust extinction as derived from Hα/Hβ. Conclusions: The Lyα emission closely associated to the massive stellar clusters is strongly affected by the properties of the surrounding neutral gas (presence of outflows, dust abundance), leading to even a range of escape fractions at different locations within the same starburst. On the other hand, we propose that the diffuse Lyα emission originates in gas ionized by the hot plasma responsible for the soft X-ray radiation, as suggested by their spatial correlation and by the measured L(Hα)/L0.4-2.4 keV ratios. Calibration of Lyα as star formation rate tracer should therefore include both effects (destruction vs. enhancement) to avoid biases in the study of galaxies at cosmological distances.

Compton spectra of atoms at high x-ray intensity

NASA Astrophysics Data System (ADS)

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.

Small-angle X-ray scattering (SAXS) studies of the structure of mesoporous silicas

NASA Astrophysics Data System (ADS)

Zienkiewicz-Strzałka, M.; Skibińska, M.; Pikus, S.

2017-11-01

Mesoporous ordered silica nanostructures show strong interaction with X-ray radiation in the range of small-angles. Small-angle X-ray scattering (SAXS) measurements based on the elastically scattered X-rays are important in analysis of condensed matter. In the case of mesoporous silica materials SAXS technique provides information on the distribution of electron density in the mesoporous material, in particular describing their structure and size of the unit cell as well as type of ordered structure and finally their parameters. The characterization of nanopowder materials, nanocomposites and porous materials by Small-Angle X-ray Scattering seems to be valuable and useful. In presented work, the SAXS investigation of structures from the group of mesoporous ordered silicates was performed. This work has an objective to prepare functional materials modified by noble metal ions and nanoparticles and using the small-angle X-ray scattering to illustrate their properties. We report the new procedure for describing mesoporous materials belonging to SBA-15 and MCM-41 family modified by platinum, palladium and silver nanoparticles, based on detailed analysis of characteristic peaks in the small-angle range of X-ray scattering. This procedure allows to obtained the most useful parameters for mesoporous materials characterization and their successfully compare with experimental measurements reducing the time and material consumption with good precision for particles and pores with a size below 10 nm.

Low-energy d-d excitations in MnO studied by resonant x-ray fluorescence spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butorin, S.M.; Guo, J.; Magnuson, M.

1997-04-01

Resonant soft X-ray emission spectroscopy has been demonstrated to possess interesting abilities for studies of electronic structure in various systems, such as symmetry probing, alignment and polarization dependence, sensitivity to channel interference, etc. In the present abstract the authors focus on the feasibility of resonant soft X-ray emission to probe low energy excitations by means of resonant electronic X-ray Raman scattering. Resonant X-ray emission can be regarded as an inelastic scattering process where a system in the ground state is transferred to a low excited state via a virtual core excitation. The energy closeness to a core excitation of themore » exciting radiation enhances the (generally) low probability for inelastic scattering at these wavelengths. Therefore soft X-ray emission spectroscopy (in resonant electronic Raman mode) can be used to study low energy d-d excitations in transition metal systems. The involvement of the intermediate core state allows one to use the selection rules of X-ray emission, and the appearance of the elastically scattered line in the spectra provides the reference to the ground state.« less

A highly sensitive x-ray imaging modality for hepatocellular carcinoma detection in vitro

NASA Astrophysics Data System (ADS)

Rand, Danielle; Walsh, Edward G.; Derdak, Zoltan; Wands, Jack R.; Rose-Petruck, Christoph

2015-01-01

Innovations that improve sensitivity and reduce cost are of paramount importance in diagnostic imaging. The novel x-ray imaging modality called spatial frequency heterodyne imaging (SFHI) is based on a linear arrangement of x-ray source, tissue, and x-ray detector, much like that of a conventional x-ray imaging apparatus. However, SFHI rests on a complete paradigm reversal compared to conventional x-ray absorption-based radiology: while scattered x-rays are carefully rejected in absorption-based x-ray radiology to enhance the image contrast, SFHI forms images exclusively from x-rays scattered by the tissue. In this study we use numerical processing to produce x-ray scatter images of hepatocellular carcinoma labeled with a nanoparticle contrast agent. We subsequently compare the sensitivity of SFHI in this application to that of both conventional x-ray imaging and magnetic resonance imaging (MRI). Although SFHI is still in the early stages of its development, our results show that the sensitivity of SFHI is an order of magnitude greater than that of absorption-based x-ray imaging and approximately equal to that of MRI. As x-ray imaging modalities typically have lower installation and service costs compared to MRI, SFHI could become a cost effective alternative to MRI, particularly in areas of the world with inadequate availability of MRI facilities.

Ambient dose equivalent and effective dose from scattered x-ray spectra in mammography for Mo/Mo, Mo/Rh and W/Rh anode/filter combinations.

PubMed

Künzel, R; Herdade, S B; Costa, P R; Terini, R A; Levenhagen, R S

2006-04-21

In this study, scattered x-ray distributions were produced by irradiating a tissue equivalent phantom under clinical mammographic conditions by using Mo/Mo, Mo/Rh and W/Rh anode/filter combinations, for 25 and 30 kV tube voltages. Energy spectra of the scattered x-rays have been measured with a Cd(0.9)Zn(0.1)Te (CZT) detector for scattering angles between 30 degrees and 165 degrees . Measurement and correction processes have been evaluated through the comparison between the values of the half-value layer (HVL) and air kerma calculated from the corrected spectra and measured with an ionization chamber in a nonclinical x-ray system with a W/Mo anode/filter combination. The shape of the corrected x-ray spectra measured in the nonclinical system was also compared with those calculated using semi-empirical models published in the literature. Scattered x-ray spectra measured in the clinical x-ray system have been characterized through the calculation of HVL and mean photon energy. Values of the air kerma, ambient dose equivalent and effective dose have been evaluated through the corrected x-ray spectra. Mean conversion coefficients relating the air kerma to the ambient dose equivalent and to the effective dose from the scattered beams for Mo/Mo, Mo/Rh and W/Rh anode/filter combinations were also evaluated. Results show that for the scattered radiation beams the ambient dose equivalent provides an overestimate of the effective dose by a factor of about 5 in the mammography energy range. These results can be used in the control of the dose limits around a clinical unit and in the calculation of more realistic protective shielding barriers in mammography.

Ultra small angle x-ray scattering in complex mixtures of triacylglycerols

NASA Astrophysics Data System (ADS)

Peyronel, Fernanda; Quinn, Bonnie; Marangoni, Alejandro G.; Pink, David A.

2014-11-01

Ultra-small angle x-ray scattering (USAXS) has been used to elucidate, in situ, the aggregation structure of unsheared model edible oils. Each system comprised one or two solid lipids and a combination of liquid lipids. The 3D nano- to micro-structures of each system were characterized. The length scale investigated, using the Bonse-Hart camera at beamline ID-15D at the Advanced Photon Source, ANL, ranged from 300 Å-10 µm. Using the Unified Fit model, level-1 analysis showed that the scatterers were 2D objects with either a smooth, a rough, or a diffuse surface. These 2D objects had an average radius of gyration Rg1 between 200-1500 Å. Level-2 analysis displayed a slope between -1 and -2. Use of the Guinier-Porod model gave s ≈ 1 thus showing that it was cylinders (TAGwoods) aggregating with fractal dimension 1 ≤ D2 ≤ 2. D2 = 1 is consistent with 1D structures formed from TAGwoods, while D2 = 2 implies that the TAGwoods had formed structures characteristic of diffusion or reaction limited cluster-cluster aggregation (DLCA/RLCA). These aggregates exhibited radii of gyration, Rg2, between 2500 and 6500 Å. Level-3 analyses showed diffuse surfaces, for most of the systems. These interpretations are in accord with theoretical models which studied crystalline nano-platelets (CNPs) coated with nano-scale layers arising from phase separation at the CNP surfaces. These layers could be due to either liquid-liquid phase separation with the CNPs coated, uniformly or non-uniformly, by a diffuse layer of TAGs, or solid-liquid phase separation with the CNPs coated by a rough layer of crystallites. A fundamental understanding of the self-organizing structures arising in these systems helps advance the characterization of fat crystal networks from nanometres to micrometres. This research can be used to design novel fat structures that use healthier fats via nano- and meso-scale structural engineering.

Generation of first hard X-ray pulse at Tsinghua Thomson Scattering X-ray Source.

PubMed

Du, Yingchao; Yan, Lixin; Hua, Jianfei; Du, Qiang; Zhang, Zhen; Li, Renkai; Qian, Houjun; Huang, Wenhui; Chen, Huaibi; Tang, Chuanxiang

2013-05-01

Tsinghua Thomson Scattering X-ray Source (TTX) is the first-of-its-kind dedicated hard X-ray source in China based on the Thomson scattering between a terawatt ultrashort laser and relativistic electron beams. In this paper, we report the experimental generation and characterization of the first hard X-ray pulses (51.7 keV) via head-on collision of an 800 nm laser and 46.7 MeV electron beams. The measured yield is 1.0 × 10(6) per pulse with an electron bunch charge of 200 pC and laser pulse energy of 300 mJ. The angular intensity distribution and energy spectra of the X-ray pulse are measured with an electron-multiplying charge-coupled device using a CsI scintillator and silicon attenuators. These measurements agree well with theoretical and simulation predictions. An imaging test using the X-ray pulse at the TTX is also presented.

Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering

DOE PAGES

Gao, Xuan; Casa, Diego; Kim, Jungho; ...

2016-08-15

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

X-ray coherent scattering tomography of textured material (Conference Presentation)

NASA Astrophysics Data System (ADS)

Zhu, Zheyuan; Pang, Shuo

2017-05-01

Small-angle X-ray scattering (SAXS) measures the signature of angular-dependent coherently scattered X-rays, which contains richer information in material composition and structure compared to conventional absorption-based computed tomography. SAXS image reconstruction method of a 2 or 3 dimensional object based on computed tomography, termed as coherent scattering computed tomography (CSCT), enables the detection of spatially-resolved, material-specific isotropic scattering signature inside an extended object, and provides improved contrast for medical diagnosis, security screening, and material characterization applications. However, traditional CSCT methods assumes materials are fine powders or amorphous, and possess isotropic scattering profiles, which is not generally true for all materials. Anisotropic scatters cannot be captured using conventional CSCT method and result in reconstruction errors. To obtain correct information from the sample, we designed new imaging strategy which incorporates extra degree of detector motion into X-ray scattering tomography for the detection of anisotropic scattered photons from a series of two-dimensional intensity measurements. Using a table-top, narrow-band X-ray source and a panel detector, we demonstrate the anisotropic scattering profile captured from an extended object and the reconstruction of a three-dimensional object. For materials possessing a well-organized crystalline structure with certain symmetry, the scatter texture is more predictable. We will also discuss the compressive schemes and implementation of data acquisition to improve the collection efficiency and accelerate the imaging process.

Ab initio calculation of the ion feature in x-ray Thomson scattering.

PubMed

Plagemann, Kai-Uwe; Rüter, Hannes R; Bornath, Thomas; Shihab, Mohammed; Desjarlais, Michael P; Fortmann, Carsten; Glenzer, Siegfried H; Redmer, Ronald

2015-07-01

The spectrum of x-ray Thomson scattering is proportional to the dynamic structure factor. An important contribution is the ion feature which describes elastic scattering of x rays off electrons. We apply an ab initio method for the calculation of the form factor of bound electrons, the slope of the screening cloud of free electrons, and the ion-ion structure factor in warm dense beryllium. With the presented method we can calculate the ion feature from first principles. These results will facilitate a better understanding of x-ray scattering in warm dense matter and an accurate measurement of ion temperatures which would allow determining nonequilibrium conditions, e.g., along shock propagation.

Enhanced coherent Thomson scattering in the few-cycle regime.

PubMed

Hu, Ke; Wu, Hui-Chun

2016-10-01

We study x-ray production by coherent nonlinear Thomson scattering of few-cycle laser pulses from relativistic electron sheets. For an electron sheet thicker than the wavelength of the x-ray, the scattering efficiency is found to increase by two orders of magnitude for single-cycle laser pulses, as compared with longer pulses. This enhancement is attributed to the suppression of the destructive interference during the scattering process, as well as the frequency downshift related to the ultrabroad spectra of single-cycle pulses. The x-ray amplitude in this nonadiabatic regime is calculated and agrees with that from the particle-in-cell simulation. These results can be useful for designing more intense, shorter attosecond x-ray sources.

X-ray data booklet. Revision

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vaughan, D.

A compilation of data is presented. Included are properties of the elements, electron binding energies, characteristic x-ray energies, fluorescence yields for K and L shells, Auger energies, energy levels for hydrogen-, helium-, and neonlike ions, scattering factors and mass absorption coefficients, and transmission bands of selected filters. Also included are selected reprints on scattering processes, x-ray sources, optics, x-ray detectors, and synchrotron radiation facilities. (WRF)

Simultaneous measurement of X-ray specular reflection and off-specular diffuse scattering from liquid surfaces using a two-dimensional pixel array detector: the liquid-interface reflectometer of BL37XU at SPring-8.

PubMed

Yano, Yohko F; Uruga, Tomoya; Tanida, Hajime; Toyokawa, Hidenori; Terada, Yasuko; Yamada, Hironari

2010-07-01

An X-ray reflectometer for simultaneous measurement of specular and off-specular reflection of liquid surfaces is described. The reflectometer, equipped with a two-dimensional single X-ray photon-counting pixel array detector obtained the full range of X-ray specular and off-specular reflections in an extremely short time (1 s). Both the specular and off-specular reflection of water exhibited good agreement with the predicted capillary-wave theory within the appropriate instrumental resolution. The approach is also demonstrated on an aqueous solution of 1-dodecyl-3-methylimidazolium chloride. The monolayer in which the dodecyl chain faces upwards and the Cl(-) anion locates next to the imidazolium ring formed on the water surface was found to be laterally homogeneous. The use of a pixel array detector will be particularly powerful for in situ measurements to investigate both out-of-plane and in-plane structures simultaneously, not only for liquid surfaces but also for other thin films.

Direct method for imaging elemental distribution profiles with long-period x-ray standing waves

NASA Astrophysics Data System (ADS)

Kohli, Vaibhav; Bedzyk, Michael J.; Fenter, Paul

2010-02-01

A model-independent Fourier-inversion method for imaging elemental profiles from multilayer and total-external reflection x-ray standing wave (XSW) data is developed for the purpose of understanding the assembly of atoms, ions, and molecules at well-defined interfaces in complex environments. The direct-method formalism is derived for the case of a long-period XSW generated by low-angle specular reflection in an attenuating overlayer medium. It is validated through comparison with simulated and experimental data to directly obtain an elemental distribution contained within the overlayer. We demonstrate this formalism by extracting the one-dimensional profile of Ti normal to the surface for a TiO2/Si/Mo trilayer deposited on a Si substrate using the TiKα fluorescence yield measured in air and under an aqueous electrolyte. The model-independent results demonstrate reduced coherent fractions for the in situ results associated with an incoherency of the x-ray beam (which are attributed to fluorescence excitation by diffusely or incoherently scattered x-rays). The uniqueness and limitations of the approach are discussed.

Combining experiment and optical simulation in coherent X-ray nanobeam characterization of Si/SiGe semiconductor heterostructures

DOE PAGES

Tilka, J. A.; Park, J.; Ahn, Y.; ...

2016-07-06

Here, the highly coherent and tightly focused x-ray beams produced by hard x-ray light sources enable the nanoscale characterization of the structure of electronic materials but are accompanied by significant challenges in the interpretation of diffraction and scattering patterns. X-ray nanobeams exhibit optical coherence combined with a large angular divergence introduced by the x-ray focusing optics. The scattering of nanofocused x-ray beams from intricate semiconductor heterostructures produces a complex distribution of scattered intensity. We report here an extension of coherent xray optical simulations of convergent x-ray beam diffraction patterns to arbitrary x-ray incident angles to allow the nanobeam diffraction patternsmore » of complex heterostructures to be simulated faithfully. These methods are used to extract the misorientation of lattice planes and the strain of individual layers from synchrotron x-ray nanobeam diffraction patterns of Si/SiGe heterostructures relevant to applications in quantum electronic devices. The systematic interpretation of nanobeam diffraction patterns from semiconductor heterostructures presents a new opportunity in characterizing and ultimately designing electronic materials.« less

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

PubMed

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

2016-11-01

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

Real-time growth study of plasma assisted atomic layer epitaxy of InN films by synchrotron x-ray methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nepal, Neeraj; Anderson, Virginia R.; Johnson, Scooter D.

The temporal evolution of high quality indium nitride (InN) growth by plasma-assisted atomic layer epitaxy (ALEp) on a-plane sapphire at 200 and 248 °C was probed by synchrotron x-ray methods. The growth was carried out in a thin film growth facility installed at beamline X21 of the National Synchrotron Light Source at Brookhaven National Laboratory and at beamline G3 of the Cornell High Energy Synchrotron Source, Cornell University. Measurements of grazing incidence small angle x-ray scattering (GISAXS) during the initial cycles of growth revealed a broadening and scattering near the diffuse specular rod and the development of scattering intensities duemore » to half unit cell thick nucleation islands in the Yoneda wing with correlation length scale of 7.1 and 8.2 nm, at growth temperatures (Tg) of 200 and 248 °C, respectively. At about 1.1 nm (two unit cells) of growth thickness nucleation islands coarsen, grow, and the intensity of correlated scattering peak increased at the correlation length scale of 8.0 and 8.7 nm for Tg = 200 and 248 °C, respectively. The correlated peaks at both growth temperatures can be fitted with a single peak Lorentzian function, which support single mode growth. Post-growth in situ x-ray reflectivity measurements indicate a growth rate of ~0.36 Å/cycle consistent with the growth rate previously reported for self-limited InN growth in a commercial ALEp reactor. Consistent with the in situ GISAXS study, ex situ atomic force microscopy power spectral density measurements also indicate single mode growth. Electrical characterization of the resulting film revealed an electron mobility of 50 cm2/V s for a 5.6 nm thick InN film on a-plane sapphire, which is higher than the previously reported mobility of much thicker InN films grown at higher temperature by molecular beam epitaxy directly on sapphire. These early results indicated that in situ synchrotron x-ray study of the epitaxial growth kinetics of InN films is a very powerful method to understand nucleation and growth mechanisms of ALEp to enable improvement in material quality and broaden its application.« less

X-Ray Absorption Measured in the Resonant Auger Scattering Mode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hikosaka, Y.; Shigemasa, E.; Kaneyasu, T.

2008-08-15

We report both experimental and theoretical studies on x-ray absorption measured in the resonant Auger scattering mode of gas phase carbon monoxide near the O1s{yields}2{pi} region. Both experiment and theory display a crucial difference between the x-ray absorption profiles obtained in the conventional and resonant scattering modes. Lifetime vibrational interference is the main source of the difference. It is demonstrated that such interference, which arises from a coherent excitation to overlapping intermediate levels, ruins the idea for obtaining x-ray absorption spectra in a lifetime broadening free regime.

X-ray near-field speckle: implementation and critical analysis

PubMed Central

Lu, Xinhui; Mochrie, S. G. J.; Narayanan, S.; Sandy, A. R.; Sprung, M.

2011-01-01

The newly introduced coherence-based technique of X-ray near-field speckle (XNFS) has been implemented at 8-ID-I at the Advanced Photon Source. In the near-field regime of high-brilliance synchrotron X-rays scattered from a sample of interest, it turns out that, when the scattered radiation and the main beam both impinge upon an X-ray area detector, the measured intensity shows low-contrast speckles, resulting from interference between the incident and scattered beams. A micrometer-resolution XNFS detector with a high numerical aperture microscope objective has been built and its capability for studying static structures and dynamics at longer length scales than traditional far-field X-ray scattering techniques is demonstrated. Specifically, the dynamics of dilute silica and polystyrene colloidal samples are characterized. This study reveals certain limitations of the XNFS technique, especially in the characterization of static structures, which is discussed. PMID:21997906

X-ray scattering signatures of β-thalassemia

NASA Astrophysics Data System (ADS)

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

2009-08-01

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

Observations of gamma radiation between 0. 4 MeV and 7 MeV at balloon altitudes using a Compton telescope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lockwood, J.A.; Webber, W.R.; Friling, L.A.

1981-09-15

Results are presented from a balloon flight at Palestine, Texas, in 1978 to measure the atmospheric and diffuse ..gamma..-ray flux in the energy range 0.4--7.0 MeV. The observations were made with a Compton telescope which included pulse-shape discrimination of the first scattering detector and a time-of-flight system between the first and second detector elements. The total downward ..gamma..-ray flux at 3.7 g cm/sup -2/ is given by the spectrum 3.1 x 10/sup -2/ x E/sup -1.74/ (photons cm/sup -2/ s/sup -1/ MeV/sup -1/ sr/sup -1/) for 0.5

X-ray Photoelectron Spectroscopy (XPS), Rutherford Back Scattering (RBS) studies

NASA Technical Reports Server (NTRS)

Neely, W. C.; Bozak, M. J.; Williams, J. R.

1993-01-01

X-ray photoelectron spectroscopy (XPS), Rutherford Back Scattering (RBS) studies of each of sample received were completed. Since low angle X-ray could not be performed because of instrumentation problems, Auger spectrometry was employed instead. The results of these measurements for each of the samples is discussed in turn.

The study of X-ray scattering to determine surface topography of smooth surfaces. [X-ray telescope mirrors

NASA Technical Reports Server (NTRS)

Williams, A. C.

1982-01-01

The scattering of X-rays from state-of-the-art polished mirrors is discussed with reference to the requirements of the Advanced X-ray Astrophysics Facility telescope. An experimental set-up is described which allows information to be obtained with subarcsecond resolution. A sample of the data obtained is presented along with a possible theoretical model for its interpretation.

Studies of electrode structures and dynamics using coherent X-ray scattering and imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

You, H.; Liu, Y.; Ulvestad, A.

2017-08-01

Electrochemical systems studied in situ with advanced surface X-ray scattering techniques are reviewed. The electrochemical systems covered include interfaces of single-crystals and nanocrystals with respect to surface modification, aqueous dissolution, surface reconstruction, and electrochemical double layers. An emphasis will be given on recent results by coherent X-ray techniques such as X-ray photon correlation spectroscopy, Bragg coherent diffraction imaging, and surface ptychography.

A Highly Sensitive X-ray Imaging Modality for Hepatocellular Carcinoma Detection in Vitro

PubMed Central

Rand, Danielle; Walsh, Edward G.; Derdak, Zoltan; Wands, Jack R.; Rose-Petruck, Christoph

2015-01-01

Innovations that improve sensitivity and reduce cost are of paramount importance in diagnostic imaging. The novel x-ray imaging modality called Spatial Frequency Heterodyne Imaging (SFHI) is based on a linear arrangement of x-ray source, tissue, and x-ray detector, much like that of a conventional x-ray imaging apparatus. However, SFHI rests on a complete paradigm reversal compared to conventional x-ray absorption-based radiology: while scattered x-rays are carefully rejected in absorption-based x-ray radiology to enhance the image contrast, SFHI forms images exclusively from x-rays scattered by the tissue. In this study we use numerical processing to produce x-ray scatter images of Hepatocellular Carcinoma (HCC) labeled with a nanoparticle contrast agent. We subsequently compare the sensitivity of SFHI in this application to that of both conventional x-ray imaging and Magnetic Resonance Imaging (MRI). Although SFHI is still in the early stages of its development, our results show that the sensitivity of SFHI is an order of magnitude greater than that of absorption-based x-ray imaging and approximately equal to that of MRI. As x-ray imaging modalities typically have lower installation and service costs compared to MRI, SFHI could become a cost effective alternative to MRI, particularly in areas of the world with inadequate availability of MRI facilities. PMID:25559398

A highly sensitive x-ray imaging modality for hepatocellular carcinoma detection in vitro

DOE PAGES

Rand, Danielle; Walsh, Edward G.; Derdak, Zoltan; ...

2015-01-05

Innovations that improve sensitivity and reduce cost are of paramount importance in diagnostic imaging. The novel x-ray imaging modality called Spatial Frequency Heterodyne Imaging (SFHI) is based on a linear arrangement of x-ray source, tissue, and x-ray detector, much like that of a conventional x-ray imaging apparatus. However, SFHI rests on a complete paradigm reversal compared to conventional x-ray absorption-based radiology: while scattered x-rays are carefully rejected in absorption-based x-ray radiology to enhance the image contrast, SFHI forms images exclusively from x-rays scattered by the tissue. Here in this study we use numerical processing to produce x-ray scatter images ofmore » Hepatocellular Carcinoma (HCC) labeled with a nanoparticle contrast agent. We subsequently compare the sensitivity of SFHI in this application to that of both conventional x-ray imaging and Magnetic Resonance Imaging (MRI). Although SFHI is still in the early stages of its development, our results show that the sensitivity of SFHI is an order of magnitude greater than that of absorption-based x-ray imaging and approximately equal to that of MRI. Lastly, as x-ray imaging modalities typically have lower installation and service costs compared to MRI, SFHI could become a cost effective alternative to MRI, particularly in areas of the world with inadequate availability of MRI facilities.« less

A new theory for X-ray diffraction

PubMed Central

Fewster, Paul F.

2014-01-01

This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the ‘Bragg position’ even if the ‘Bragg condition’ is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many ‘Bragg positions’. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on ‘Bragg-type’ scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the ‘background’. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models. PMID:24815975

THE CHANDRA X-RAY SURVEY OF PLANETARY NEBULAE (CHANPLANS): PROBING BINARITY, MAGNETIC FIELDS, AND WIND COLLISIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kastner, J. H.; Montez, R. Jr.; Rapson, V.

2012-08-15

We present an overview of the initial results from the Chandra Planetary Nebula Survey (CHANPLANS), the first systematic (volume-limited) Chandra X-Ray Observatory survey of planetary nebulae (PNe) in the solar neighborhood. The first phase of CHANPLANS targeted 21 mostly high-excitation PNe within {approx}1.5 kpc of Earth, yielding four detections of diffuse X-ray emission and nine detections of X-ray-luminous point sources at the central stars (CSPNe) of these objects. Combining these results with those obtained from Chandra archival data for all (14) other PNe within {approx}1.5 kpc that have been observed to date, we find an overall X-ray detection rate ofmore » {approx}70% for the 35 sample objects. Roughly 50% of the PNe observed by Chandra harbor X-ray-luminous CSPNe, while soft, diffuse X-ray emission tracing shocks-in most cases, 'hot bubbles'-formed by energetic wind collisions is detected in {approx}30%; five objects display both diffuse and point-like emission components. The presence (or absence) of X-ray sources appears correlated with PN density structure, in that molecule-poor, elliptical nebulae are more likely to display X-ray emission (either point-like or diffuse) than molecule-rich, bipolar, or Ring-like nebulae. All but one of the point-like CSPNe X-ray sources display X-ray spectra that are harder than expected from hot ({approx}100 kK) central stars emitting as simple blackbodies; the lone apparent exception is the central star of the Dumbbell nebula, NGC 6853. These hard X-ray excesses may suggest a high frequency of binary companions to CSPNe. Other potential explanations include self-shocking winds or PN mass fallback. Most PNe detected as diffuse X-ray sources are elliptical nebulae that display a nested shell/halo structure and bright ansae; the diffuse X-ray emission regions are confined within inner, sharp-rimmed shells. All sample PNe that display diffuse X-ray emission have inner shell dynamical ages {approx}< 5 Multiplication-Sign 10{sup 3} yr, placing firm constraints on the timescale for strong shocks due to wind interactions in PNe. The high-energy emission arising in such wind shocks may contribute to the high excitation states of certain archetypical 'hot bubble' nebulae (e.g., NGC 2392, 3242, 6826, and 7009).« less

CMB-induced radio quenching of high-redshift jetted AGNs with highly magnetic hotspots

NASA Astrophysics Data System (ADS)

Wu, Jianfeng; Ghisellini, Gabriele; Hodges-Kluck, Edmund; Gallo, Elena; Ciardi, Benedetta; Haardt, Francesco; Sbarrato, Tullia; Tavecchio, Fabrizio

2017-06-01

In an effort to understand the cause of the apparent depletion in the number density of radio-loud active galactic nuclei (AGNs) at z > 3, this work investigates the viability of the so-called cosmic microwave background (CMB) quenching mechanism of intrinsically jetted, high-z AGNs, whereby inverse Compton scattering of CMB photons off electrons within the extended lobes results in a substantial dimming of the lobe synchrotron emission at GHz frequencies, while simultaneously boosting their diffuse X-ray signal. We focus on five z > 3.5 radio galaxies that have sufficiently deep Chandra exposure (>50 ks) to warrant a meaningful investigation of any extended X-ray emission. For those objects with evidence for statistically significant extended X-ray lobes (4C 41.17 and 4C 03.24), we combine the Chandra measurements with literature data at lower frequencies to assemble the systems' spectral energy distributions (SEDs), and utilize state-of-the-art SED modelling - including emission from the disc, torus, jet, hotspots and lobes - to infer their physical parameters. For both radio galaxies, the magnetic energy density in the hotspots is found to exceed the energy density in CMB photons, whereas the opposite is true for the lobes. This implies that any extended synchrotron emission likely originates from the hotspots themselves, rather than the lobes. Conversely, inverse Compton scattering of CMB photons dominates the extended X-ray emission from the lobes, which are effectively 'radio-quenched'. As a result, CMB quenching is effective in these systems in spite of the fact that the observed X-ray to radio luminosity ratio does not bear the signature (1 + z)4 dependence of the CMB energy density.

Large-angle x-ray scatter in Talbot-Lau interferometry for breast imaging

PubMed Central

Vedantham, Srinivasan; Shi, Linxi; Karellas, Andrew

2014-01-01

Monte Carlo simulations were used to investigate large-angle x-ray scatter at design energy of 25 keV during small field of view (9.6 cm × 5 cm) differential phase contrast imaging of the breast using Talbot-Lau interferometry. Homogenous, adipose and fibroglandular breasts of uniform thickness ranging from 2 to 8 cm encompassing the field of view were modeled. Theoretically determined transmission efficiencies of the gratings were used to validate the Monte Carlo simulations, followed by simulations to determine the x-ray scatter reaching the detector. The recorded x-ray scatter was classified into x-ray photons that underwent at least one Compton interaction (incoherent scatter) and Rayleigh interaction alone (coherent scatter) for further analysis. Monte Carlo based estimates of transmission efficiencies showed good correspondence (r2 > 0.99) with theoretical estimates. Scatter-to-primary ratio increased with increasing breast thickness, ranging from 0.11 to 0.22 for 2 to 8 cm thick adipose breasts and from 0.12 to 0.28 for 2 to 8 cm thick fibroglandular breasts. The analyzer grating reduced incoherent scatter by ~18% for 2 cm thick adipose breast and by ~35% for 8 cm thick fibroglandular breast. Coherent scatter was the dominant contributor to the total scatter. Coherent-to-incoherent scatter ratio ranged from 2.2 to 3.1 for 2 to 8 cm thick adipose breasts and from 2.7 to 3.4 for 2 to 8 cm thick fibroglandular breasts. PMID:25295630

Design and Tests of the Hard X-Ray Polarimeter X-Calibur

NASA Technical Reports Server (NTRS)

Beilicke, M.; Binns, W. R.; Buckley, J.; Cowsik, R.; Dowkontt, P.; Garson, A.; Guo, Q.; Israel, M. H.; Lee, K.; Krawczynski, H.;

Design and Tests of the Hard X-Ray Polarimeter X-Calibur

NASA Technical Reports Server (NTRS)

Beilicke, M.; Baring, M. G.; Barthelmy, S.; Binns, W. R.; Buckley, J.; Cowsik, R.; Dowkontt, P.; Garson, A.; Guo, Q.; Haba, Y.;

Resolving the Origin of the Diffuse Soft X-ray Background

NASA Technical Reports Server (NTRS)

Smith, Randall K.; Foster, Adam R.; Edgar, Ricard J.; Brickhouse, Nancy S.; Sanders, Wilton T.

2012-01-01

In January 1993, the Diffuse X-ray Spectrometer (DXS) measured the first high-resolution spectrum of the diffuse soft X-ray background between 44-80A. A line-dominated spectrum characteristic of a 10(exp 6)K collisionally ionized plasma' was expected but while the observed spectrum was clearly line-dominated, no model would fit. Then in 2003 the Cosmic Hot Interstellar Plasma Spectrometer (CHIPS) launched and observed the diffuse extreme-ultraviolet (EUV) spectrum between 90- 265A. Although many emission lines were again expected; only Fe IX at 171.1A was detected. The discovery of X-rays from comets led to the realization that heavy ions (Z=6-28) in the solar wind will emit soft X-rays as the ions interact via charge exchange with neutral atoms in the heliosphere and geocorona. Using a new model for solar wind charge exchange (SWCX) emission, we show that the diffuse soft X-ray background can be understood as a combination of emission from charge exchange onto the slow and fast solar wind together with a more distant and diffuse hot (10(exp 6)K) plasma.

Report on the 18th International Conference on X-ray and Inner-Shell Processes (X99).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gemmell, D. S.; Physics

2000-01-01

The 18th conference of the series served as a forum for discussing fundamental issues in the field of x-ray and inner-shell processes and their application in various disciplines of science and technology. Special emphasis was given to the opportunities offered by modern synchrotron x-ray sources. The program included plenary talks, progress reports and poster presentations relating to new developments in the field of x-ray and inner-shell processes. The range of topics included: X-ray interactions with atoms, molecules, clusters, surfaces and solids; Decay processes for inner-shell vacancies; X-ray absorption and emission spectroscopy - Photoionization processes; Phenomena associated with highly charged ionsmore » and collisions with energetic particles; Electron-spin and -momentum spectroscopy; X-ray scattering and spectroscopy in the study of magnetic systems; Applications in materials science, biology, geosciences, and other disciplines; Elastic and inelastic x-ray scattering processes in atoms and molecules; Threshold phenomena (post-collision interaction, resonant Raman processes, etc.); Nuclear absorption and scattering of x-rays; 'Fourth-generation' x-ray sources; Processes exploiting the polarization and coherence properties of x-ray beams; Developments in experimental techniques (x-ray optics, temporal techniques, detectors); Microscopy, spectromicroscopy, and various imaging techniques; Non-linear processes and x-ray lasers; Ionization and excitation induced by charged particles and by x-rays; and Exotic atoms (including 'hollow' atoms and atoms that contain 'exotic' particles).« less

Computational and Experimental Characterization of Five Crystal Forms of Thymine: Packing Polymorphism, Polytypism/Disorder and Stoichiometric 0.8-Hydrate.

PubMed

Braun, Doris E; Gelbrich, Thomas; Wurst, Klaus; Griesser, Ulrich J

2016-06-01

New polymorphs of thymine emerged in an experimental search for solid forms, which was guided by the computationally generated crystal energy landscape. Three of the four anhydrates (AH) are homeoenergetic ( A° - C ) and their packing modes differ only in the location of oxygen and hydrogen atoms. AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Anhydrates AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Analysis of the crystal energy landscape for alternative AH C hydrogen bonded ribbon motifs identified a number of different packing modes, whose 3D structures were calculated to deviate by less than 0.24 kJ mol -1 in lattice energy. These structures provide models for stacking faults. The three anhydrates A ° - C show strong similarity in their powder X-ray diffraction, thermoanalytical and spectroscopic (IR and Raman) characteristics. The already known anhydrate AH A ° was identified as the thermodynamically most stable form at ambient conditions; AH B and AH C are metastable but show high kinetic stability. The hydrate of thymine is stable only at water activities ( a w ) > 0.95 at temperatures ≤ 25 °C. It was found to be a stoichiometric hydrate despite being a channel hydrate with an unusual water:thymine ratio of 0.8:1. Depending on the dehydration conditions, either AH C or AH D is obtained. The hydrate is the only known precursor to AH D . This study highlights the value and complementarity of simultaneous explorations of computationally and experimentally generated solid form landscapes of a small molecule anhydrate ↔ hydrate system.

Computational and Experimental Characterization of Five Crystal Forms of Thymine: Packing Polymorphism, Polytypism/Disorder and Stoichiometric 0.8-Hydrate

PubMed Central

Braun, Doris E.; Gelbrich, Thomas; Wurst, Klaus; Griesser, Ulrich J.

2017-01-01

New polymorphs of thymine emerged in an experimental search for solid forms, which was guided by the computationally generated crystal energy landscape. Three of the four anhydrates (AH) are homeoenergetic (A° – C) and their packing modes differ only in the location of oxygen and hydrogen atoms. AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Anhydrates AHs A° and B are ordered phases, whereas AH C shows disorder (X-ray diffuse scattering). Analysis of the crystal energy landscape for alternative AH C hydrogen bonded ribbon motifs identified a number of different packing modes, whose 3D structures were calculated to deviate by less than 0.24 kJ mol–1 in lattice energy. These structures provide models for stacking faults. The three anhydrates A° – C show strong similarity in their powder X-ray diffraction, thermoanalytical and spectroscopic (IR and Raman) characteristics. The already known anhydrate AH A° was identified as the thermodynamically most stable form at ambient conditions; AH B and AH C are metastable but show high kinetic stability. The hydrate of thymine is stable only at water activities (aw) > 0.95 at temperatures ≤ 25 °C. It was found to be a stoichiometric hydrate despite being a channel hydrate with an unusual water:thymine ratio of 0.8:1. Depending on the dehydration conditions, either AH C or AH D is obtained. The hydrate is the only known precursor to AH D. This study highlights the value and complementarity of simultaneous explorations of computationally and experimentally generated solid form landscapes of a small molecule anhydrate ↔ hydrate system. PMID:28663717

Scatter of X-rays on polished surfaces

NASA Technical Reports Server (NTRS)

Hasinger, G.

1981-01-01

In investigating the dispersion properties of telescope mirrors used in X-ray astronomy, the slight scattering characteristics of X-ray radiation by statistically rough surfaces were examined. The mathematics and geometry of scattering theory are described. The measurement test assembly is described and results of measurements on samples of plane mirrors are given. Measurement results are evaluated. The direct beam, the convolution of the direct beam and the scattering halo, curve fitting by the method of least squares, various autocorrelation functions, results of the fitting procedure for small scattering, and deviations in the kernel of the scattering distribution are presented. A procedure for quality testing of mirror systems through diagnosis of rough surfaces is described.

Use of a solar panel as a directionally sensitive large-area radiation monitor for direct and scattered x-rays and gamma-rays.

PubMed

Abdul-Majid, S

1987-01-01

The characteristics of a 25.4 X 91 cm solar cell panel used as an x-ray and gamma-ray radiation monitor are presented. Applications for monitoring the primary x-ray beam are described at different values of operating currents and voltages as well as for directional dependence of scattered radiation. Other applications in gamma-ray radiography are also given. The detector showed linear response to both x-ray and gamma-ray exposures. The equipment is rigid, easy to use, relatively inexpensive and requires no power supply or any complex electronic equipment.

X-ray-diffraction study of in-plane and interlayer correlations in layered compounds AgxTiS2

NASA Astrophysics Data System (ADS)

Kuroiwa, Yoshihiro; Ohshima, Ken-Ichi; Watanabe, Yousuke

1990-12-01

X-ray measurements have been performed on the development of in-plane and interplanar correlations of intercalated Ag atoms in stage-2 and -1 AgxTiS2 single crystals. The abrupt change of the c-axis parameter for stage-2 Ag0.15TiS2 at around 250 K, due to the structural transformation of the stacking sequence, was observed, although the a-axis parameter changes continuously. Rodlike diffuse scattering parallel to c* at 1/31/3.0, 2/32/3.0, and their equivalent positions is observed for stage-2 Ag0.15TiS2 above 250 K and shows the two-dimensional (2D) feature of the disordered state. Such a diffuse rod is modulated below 250 K, with maxima appearing at every half-integer. This reveals an enhancement of the three-dimensional nature and a stacking sequence αβαβ... . By analyzing rodlike diffuse scattering at 350, 300, 280, and 250 K for stage-2 Ag0.15TiS2, the 2D short-range-order parameters were determined. By comparing the 2D short-range-order parameters with the 2D Ornstein-Zernike correlation function, it was obtained that the correlation length varies from 4.1+/-0.6 Å at 350 K to 37.1+/-1.6 Å at 250 K. These results can be interpreted with the use of the Daumas-Hérold island model. On the other hand, for stage-1 AgxTiS2, the modulation of the diffuse rod parallel to the c* axis at 1/31/3.0, 2/32/3.0, and their equivalent positions was observed at room temperature, which shows the 3D nature.

Ionic scattering factors of atoms that compose biological molecules

PubMed Central

Matsuoka, Rei; Yamashita, Yoshiki; Yamane, Tsutomu; Kidera, Akinori; Maki-Yonekura, Saori

2018-01-01

Ionic scattering factors of atoms that compose biological molecules have been computed by the multi-configuration Dirac–Fock method. These ions are chemically unstable and their scattering factors had not been reported except for O−. Yet these factors are required for the estimation of partial charges in protein molecules and nucleic acids. The electron scattering factors of these ions are particularly important as the electron scattering curves vary considerably between neutral and charged atoms in the spatial-resolution range explored in structural biology. The calculated X-ray and electron scattering factors have then been parameterized for the major scattering curve models used in X-ray and electron protein crystallography and single-particle cryo-EM. The X-ray and electron scattering factors and the fitting parameters are presented for future reference. PMID:29755750

Behind the dust curtain: the spectacular case of GRB 160623A

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pintore, F.; Tiengo, A.; Mereghetti, S.

Here, we report on the X-ray dust-scattering features observed around the afterglow of the gamma-ray burst GRB 160623A. With an XMM–Newton observation carried out ~2 d after the burst, we found evidence of at least six rings, with angular size expanding between ~2 and 9 arcmin, as expected for X-ray scattering of the prompt gamma-ray burst (GRB) emission by dust clouds in our Galaxy. From the expansion rate of the rings, we measured the distances of the dust layers with extraordinary precision: 528.1 ± 1.2, 679.2 ± 1.9, 789.0 ± 2.8, 952 ± 5, 1539 ± 20 and 5079 ±more » 64 pc. A spectral analysis of the ring spectra, based on an appropriate dust-scattering model (BARE-GR-B) and the estimated burst fluence, allowed us to derive the column density of the individual dust layers, which are in the range 7 × 10 20–1.5 × 10 22 cm –2. The farthest dust layer (i.e. the one responsible for the smallest ring) is also the one with the lowest column density and it is possibly very extended, indicating a diffuse dust region. The properties derived for the six dust layers (distance, thickness and optical depth) are generally in good agreement with independent information on the reddening along this line of sight and on the distribution of molecular and atomic gas.« less

Behind the dust curtain: the spectacular case of GRB 160623A

DOE PAGES

Pintore, F.; Tiengo, A.; Mereghetti, S.; ...

2017-08-14

Here, we report on the X-ray dust-scattering features observed around the afterglow of the gamma-ray burst GRB 160623A. With an XMM–Newton observation carried out ~2 d after the burst, we found evidence of at least six rings, with angular size expanding between ~2 and 9 arcmin, as expected for X-ray scattering of the prompt gamma-ray burst (GRB) emission by dust clouds in our Galaxy. From the expansion rate of the rings, we measured the distances of the dust layers with extraordinary precision: 528.1 ± 1.2, 679.2 ± 1.9, 789.0 ± 2.8, 952 ± 5, 1539 ± 20 and 5079 ±more » 64 pc. A spectral analysis of the ring spectra, based on an appropriate dust-scattering model (BARE-GR-B) and the estimated burst fluence, allowed us to derive the column density of the individual dust layers, which are in the range 7 × 10 20–1.5 × 10 22 cm –2. The farthest dust layer (i.e. the one responsible for the smallest ring) is also the one with the lowest column density and it is possibly very extended, indicating a diffuse dust region. The properties derived for the six dust layers (distance, thickness and optical depth) are generally in good agreement with independent information on the reddening along this line of sight and on the distribution of molecular and atomic gas.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Young S.

2015-02-12

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

Probing the Complex Architecture of Multimodular Carbohydrate-Active Enzymes Using a Combination of Small Angle X-Ray Scattering and X-Ray Crystallography.

PubMed

Czjzek, Mirjam; Ficko-Blean, Elizabeth

2017-01-01

The various modules in multimodular carbohydrate-active enzymes (CAZymes) may function in catalysis, carbohydrate binding, protein-protein interactions or as linkers. Here, we describe how combining the biophysical techniques of Small Angle X-ray Scattering (SAXS) and macromolecular X-ray crystallography (XRC) provides a powerful tool for examination into questions related to overall structural organization of ultra multimodular CAZymes.

Fast estimation of first-order scattering in a medical x-ray computed tomography scanner using a ray-tracing technique.

PubMed

Liu, Xin

2014-01-01

This study describes a deterministic method for simulating the first-order scattering in a medical computed tomography scanner. The method was developed based on a physics model of x-ray photon interactions with matter and a ray tracing technique. The results from simulated scattering were compared to the ones from an actual scattering measurement. Two phantoms with homogeneous and heterogeneous material distributions were used in the scattering simulation and measurement. It was found that the simulated scatter profile was in agreement with the measurement result, with an average difference of 25% or less. Finally, tomographic images with artifacts caused by scatter were corrected based on the simulated scatter profiles. The image quality improved significantly.

Non-resonant inelastic x-ray scattering spectra of lithiated titanium oxides for battery applications

NASA Astrophysics Data System (ADS)

Nagle, Kenneth; Balasubramanian, Mali; Johnson, Christopher; Seidler, Gerald; Belharouak, Ilias

2008-03-01

Although lithium-ion batteries now see widespread use, there remain considerable questions concerning the basic solid state chemistry of both electrodes. Improved understanding of the local electronic structure, particularly the mechanism of charge transfer upon insertion and removal of lithium, could lead to innovation in battery design and improved performance. We present non-resonant inelastic x-ray scattering (NRIXS) spectra from 2p initial states in titanium; these spectra are among the first recorded for such states in a transition metal. These spectra were obtained using the lower energy resolution inelastic x-ray scattering (LERIX) spectrometer, which is capable of making simultaneous measurements at nineteen values of momentum transfer. We demonstrate the ability to obtain soft x-ray absorption-like information using a bulk-sensitive, hard x-ray technique. In addition, at high momentum transfer NRIXS provides information about non-dipole transitions that are inaccessible by soft x-ray spectroscopic methods.

Combining X-ray and neutron crystallography with spectroscopy.

PubMed

Kwon, Hanna; Smith, Oliver; Raven, Emma Lloyd; Moody, Peter C E

2017-02-01

X-ray protein crystallography has, through the determination of the three-dimensional structures of enzymes and their complexes, been essential to the understanding of biological chemistry. However, as X-rays are scattered by electrons, the technique has difficulty locating the presence and position of H atoms (and cannot locate H + ions), knowledge of which is often crucially important for the understanding of enzyme mechanism. Furthermore, X-ray irradiation, through photoelectronic effects, will perturb the redox state in the crystal. By using single-crystal spectrophotometry, reactions taking place in the crystal can be monitored, either to trap intermediates or follow photoreduction during X-ray data collection. By using neutron crystallography, the positions of H atoms can be located, as it is the nuclei rather than the electrons that scatter neutrons, and the scattering length is not determined by the atomic number. Combining the two techniques allows much greater insight into both reaction mechanism and X-ray-induced photoreduction.

Development of In-situ Resonant Soft X-ray Scattering for Soft Materials at Advanced Light Source

NASA Astrophysics Data System (ADS)

Wang, Cheng; Hexemer, Alexander; Young, Anthony; Padmore, Howard

2014-03-01

Resonant Soft X-ray Scattering was developed at ALS over the past a few years. It combines soft x-ray spectroscopy with x-ray scattering and offers statistical information for 3D chemical morphology over a large sample area. Its unique chemical sensitivity, large accessible size scale, polarization control and high coherence make it a powerful tool for mesoscale chemical/morphological structure characterization for many classes of materials. However, in order to study sciences in naturally occurring conditions, we need to overcome the sample limitations set by the low penetration depth of soft x-rays and requirement of high vacuum. Adapting to the evolving environmental cell designs utilized increasingly in the Electron Microscopy community, we will report our development of customize design liquid/gas environmental cells that will enable soft x-ray scattering experiments on biological, electro-chemical, self-assembly, and hierarchical functional systems in both static and dynamic fashion. Initial RSoXS result of solar fuel membrane assembly/fuel-cell membrane structure in wet cell will be presented.

Role of electron-electron interference in ultrafast time-resolved imaging of electronic wavepackets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dixit, Gopal; Santra, Robin; Department of Physics, University of Hamburg, D-20355 Hamburg

2013-04-07

Ultrafast time-resolved x-ray scattering is an emerging approach to image the dynamical evolution of the electronic charge distribution during complex chemical and biological processes in real-space and real-time. Recently, the differences between semiclassical and quantum-electrodynamical (QED) theory of light-matter interaction for scattering of ultrashort x-ray pulses from the electronic wavepacket were formally demonstrated and visually illustrated by scattering patterns calculated for an electronic wavepacket in atomic hydrogen [G. Dixit, O. Vendrell, and R. Santra, Proc. Natl. Acad. Sci. U.S.A. 109, 11636 (2012)]. In this work, we present a detailed analysis of time-resolved x-ray scattering from a sample containing a mixturemore » of non-stationary and stationary electrons within both the theories. In a many-electron system, the role of scattering interference between a non-stationary and several stationary electrons to the total scattering signal is investigated. In general, QED and semiclassical theory provide different results for the contribution from the scattering interference, which depends on the energy resolution of the detector and the x-ray pulse duration. The present findings are demonstrated by means of a numerical example of x-ray time-resolved imaging for an electronic wavepacket in helium. It is shown that the time-dependent scattering interference vanishes within semiclassical theory and the corresponding patterns are dominated by the scattering contribution from the time-independent interference, whereas the time-dependent scattering interference contribution do not vanish in the QED theory and the patterns are dominated by the scattering contribution from the non-stationary electron scattering.« less

Role of electron-electron interference in ultrafast time-resolved imaging of electronic wavepackets

NASA Astrophysics Data System (ADS)

Dixit, Gopal; Santra, Robin

2013-04-01

Ultrafast time-resolved x-ray scattering is an emerging approach to image the dynamical evolution of the electronic charge distribution during complex chemical and biological processes in real-space and real-time. Recently, the differences between semiclassical and quantum-electrodynamical (QED) theory of light-matter interaction for scattering of ultrashort x-ray pulses from the electronic wavepacket were formally demonstrated and visually illustrated by scattering patterns calculated for an electronic wavepacket in atomic hydrogen [G. Dixit, O. Vendrell, and R. Santra, Proc. Natl. Acad. Sci. U.S.A. 109, 11636 (2012)], 10.1073/pnas.1202226109. In this work, we present a detailed analysis of time-resolved x-ray scattering from a sample containing a mixture of non-stationary and stationary electrons within both the theories. In a many-electron system, the role of scattering interference between a non-stationary and several stationary electrons to the total scattering signal is investigated. In general, QED and semiclassical theory provide different results for the contribution from the scattering interference, which depends on the energy resolution of the detector and the x-ray pulse duration. The present findings are demonstrated by means of a numerical example of x-ray time-resolved imaging for an electronic wavepacket in helium. It is shown that the time-dependent scattering interference vanishes within semiclassical theory and the corresponding patterns are dominated by the scattering contribution from the time-independent interference, whereas the time-dependent scattering interference contribution do not vanish in the QED theory and the patterns are dominated by the scattering contribution from the non-stationary electron scattering.

Role of electron-electron interference in ultrafast time-resolved imaging of electronic wavepackets.

PubMed

Dixit, Gopal; Santra, Robin

2013-04-07

Ultrafast time-resolved x-ray scattering is an emerging approach to image the dynamical evolution of the electronic charge distribution during complex chemical and biological processes in real-space and real-time. Recently, the differences between semiclassical and quantum-electrodynamical (QED) theory of light-matter interaction for scattering of ultrashort x-ray pulses from the electronic wavepacket were formally demonstrated and visually illustrated by scattering patterns calculated for an electronic wavepacket in atomic hydrogen [G. Dixit, O. Vendrell, and R. Santra, Proc. Natl. Acad. Sci. U.S.A. 109, 11636 (2012)]. In this work, we present a detailed analysis of time-resolved x-ray scattering from a sample containing a mixture of non-stationary and stationary electrons within both the theories. In a many-electron system, the role of scattering interference between a non-stationary and several stationary electrons to the total scattering signal is investigated. In general, QED and semiclassical theory provide different results for the contribution from the scattering interference, which depends on the energy resolution of the detector and the x-ray pulse duration. The present findings are demonstrated by means of a numerical example of x-ray time-resolved imaging for an electronic wavepacket in helium. It is shown that the time-dependent scattering interference vanishes within semiclassical theory and the corresponding patterns are dominated by the scattering contribution from the time-independent interference, whereas the time-dependent scattering interference contribution do not vanish in the QED theory and the patterns are dominated by the scattering contribution from the non-stationary electron scattering.

Resonant Soft X-ray Scattering of Cellulose Microstructure in Plant Primary Cell Walls

NASA Astrophysics Data System (ADS)

Ye, Dan; Kiemle, Sarah N.; Wang, Cheng; Cosgrove, Daniel J.; Gomez, Esther W.; Gomez, Enrique D.

Cellulosic biomass is the most abundant raw material available for the production of renewable and sustainable biofuels. Breaking down cellulose is the rate-limiting step in economical biofuel production; therefore, a detailed understanding of the microscopic structure of plant cell walls is required to develop efficient biofuel conversion methods. Primary cell walls are key determinants of plant growth and mechanics. Their structure is complex and heterogeneous, making it difficult to elucidate how various components such as pectin, hemicellulose, and cellulose contribute to the overall structure. The electron density of these wall components is similar; such that conventional hard X-ray scattering does not generate enough contrast to resolve the different elements of the polysaccharide network. The chemical specificity of resonant soft X-ray scattering allows contrast to be generated based on differences in chemistry of the different polysaccharides. By varying incident X-ray energies, we have achieved increased scattering contrast between cellulose and other polysaccharides from primary cell walls of onions. By performing scattering at certain energies, features of the network structure of the cell wall are resolved. From the soft X-ray scattering results, we obtained the packing distance of cellulose microfibrils embedded in the polysaccharide network.

Electron-ion collision-frequency for x-ray Thomson scattering in dense plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Faussurier, Gérald, E-mail: gerald.faussurier@cea.fr; Blancard, Christophe

2016-01-15

Two methods are presented to calculate the electron-ion collision-frequency in dense plasmas using an average-atom model. The first one is based on the Kubo-Greenwood approach. The second one uses the Born and Lenard-Balescu approximations. The two methods are used to calculate x-ray Thomson scattering spectra. Illustrations are shown for dense beryllium and aluminum plasmas. Comparisons with experiment are presented in the case of an x-ray Thomson scattering spectrum.

ON THE LATE-TIME SPECTRAL SOFTENING FOUND IN X-RAY AFTERGLOWS OF GAMMA-RAY BURSTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yuan-Zhu; Liang, En-Wei; Lu, Zu-Jia

2016-02-20

Strong spectral softening has been revealed in the late X-ray afterglows of some gamma-ray bursts (GRBs). The scenario of X-ray scattering around the circumburst dusty medium has been supported by previous works due to its overall successful prediction of both the temporal and spectral evolution of some X-ray afterglows. To further investigate the observed feature of spectral softening we now systematically search the X-ray afterglows detected by the X-ray telescope aboard Swift and collect 12 GRBs with significant late-time spectral softening. We find that dust scattering could be the dominant radiative mechanism for these X-ray afterglows regarding their temporal andmore » spectral features. For some well-observed bursts with high-quality data, the time-resolved spectra could be well-produced within the scattering scenario by taking into account the X-ray absorption from the circumburst medium. We also find that during spectral softening the power-law index in the high-energy end of the spectra does not vary much. The spectral softening is mainly manifested by the spectral peak energy continually moving to the soft end.« less

Analysis and interpretation of diffuse x-ray emission using data from the Einstein satellite

NASA Technical Reports Server (NTRS)

Helfand, David J.

1991-01-01

An ambitious program to create a powerful and accessible archive of the HEAO-2 Imaging Proportional Counter (IPC) database was outlined. The scientific utility of that database for studies of diffuse x ray emissions was explored. Technical and scientific accomplishments are reviewed. Three papers were presented which have major new scientific findings relevant to the global structure of the interstellar medium and the origin of the cosmic x ray background. An all-sky map of diffuse x ray emission was constructed.

A modified Rayleigh-Gans-Debye formula for small angle X-ray scattering by interstellar dust grains

NASA Astrophysics Data System (ADS)

Sharma, Subodh K.

2015-05-01

A widely used approximation in studies relating to small angle differential scattering cross-section of X-rays scattered by interstellar dust grains is the well known Rayleigh-Gans-Debye approximation (RGDA). The validity of this approximation, however, is limited only to X-ray energies greater than about 1 keV. At lower energies, this approximation overestimates the exact results. In this paper a modification to the RGDA is suggested. It is shown that a combination of the RGDA with Ramsauer approximation retains the formal simplicity of the RGDA and also yields good agreement with Mie computations at all X-ray energies.

X-ray Thomson scattering measurements of temperature and density from multi-shocked CH capsules

DOE PAGES

Fletcher, L. B.; Glenzer, S. H.; Kritcher, A.; ...

2013-05-24

Proof-of-principle measurements of the electron densities, temperatures, and ionization states of spherically compressed multi-shocked CH (polystyrene) capsules have been achieved using spectrally resolved x-ray Thomson scattering. A total energy of 13.5 kJ incident on target is used to compress a 70 μm thick CH shell above solid-mass density using three coalescing shocks. Separately, a laser-produced zinc He-α x-ray source at 9 keV delayed 200 ps-800 ps after maximum compression is used to probe the plasma in the non-collective scattering regime. The data show that x-ray Thomson scattering enables a complete description of the time-dependent hydrodynamic evolution of shock-compressed CH capsules,more » with a maximum measured density of ρ > 6 g cm –3. Additionally, the results demonstrate that accurate measurements of x-ray scattering from bound-free transitions in the CH plasma demonstrate strong evidence that continuum lowering is the primary ionization mechanism of carbon L-shell electrons.« less

Clusters in intense x-ray pulses

NASA Astrophysics Data System (ADS)

Bostedt, Christoph

2012-06-01

Free-electron lasers can deliver extremely intense, coherent x-ray flashes with femtosecond pulse length, opening the door for imaging single nanoscale objects in a single shot. All matter irradiated by these intense x-ray pulses, however, will be transformed into a highly-excited non-equilibrium plasma within femtoseconds. During the x-ray pulse complex electron dynamics and the onset of atomic disorder will be induced, leading to a time-varying sample. We have performed first experiments about x-ray laser pulse -- cluster interaction with a combined spectroscopy and imaging approach at both, the FLASH free electron laser in Hamburg (Germany) and the LCLS x-ray free-electron laser in Stanford (California). Atomic clusters are ideal for investigating the light - matter interaction because their size can be tuned from the molecular to the bulk regime, thus allowing to distinguish between intra and inter atomic processes. Imaging experiments with xenon clusters show power-density dependent changes in the scattering patterns. Modeling the scattering data indicates that the optical constants of the clusters change during the femtosecond pulse due to the transient creation of high charge states. The results show that ultra fast scattering is a promising approach to study transient states of matter on a femtosecond time scale. Coincident recording of time-of-flight spectra and scattering patterns allows the deconvolution of focal volume and particle size distribution effects. Single-shot single-particle experiments with keV x-rays reveal that for the highest power densities an highly excited and hot cluster plasma is formed for which recombination is suppressed. Time resolved infrared pump -- x-ray probe experiments have started. Here, the clusters are pumped into a nanoplasma state and their time evolution is probed with femtosecond x-ray scattering. The data show strong variations in the scattering patterns stemming from electronic reconfigurations in the cluster plasma. The results will be compared to theoretical predictions and discussed in light of current developments at free-electron laser sources.

5f delocalization-induced suppression of quadrupolar order in U(Pd 1-xPt x)₃

DOE PAGES

Walker, H. C.; Le, M. D.; McEwen, K. A.; ...

2011-12-27

We present bulk magnetic and transport measurements and x-ray resonant scattering measurements on U(Pd 1-xPt x)₃ for x=0.005 and 0.01, which demonstrate the high sensitivity of the quadrupolar order in the canonical antiferroquadrupolar ordered system UPd₃ to doping with platinum. Bulk measurements for x=0.005 reveal behavior similar to that seen in UPd₃, albeit at a lower temperature, and x-ray resonant scattering provides evidence of quadrupolar order described by the Q xy order parameter. In contrast, bulk measurements reveal only an indistinct transition in x=0.01, consistent with the observation of short-range quadrupolar order in our x-ray resonant scattering results.

High performance x-ray anti-scatter grid

DOEpatents

Logan, Clinton M.

1995-01-01

An x-ray anti-scatter grid for x-ray imaging, particularly for screening mammography, and method for fabricating same, x-rays incident along a direct path pass through a grid composed of a plurality of parallel or crossed openings, microchannels, grooves, or slots etched in a substrate, such as silicon, having the walls of the microchannels or slots coated with a high opacity material, such as gold, while x-rays incident at angels with respect to the slots of the grid, arising from scatter, are blocked. The thickness of the substrate is dependent on the specific application of the grid, whereby a substrate of the grid for mammography would be thinner than one for chest radiology. Instead of coating the walls of the slots, such could be filed with an appropriate liquid, such as mercury.

Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy)2]2+

PubMed Central

2015-01-01

Theoretical predictions show that depending on the populations of the Fe 3dxy, 3dxz, and 3dyz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy)2]2+. The differences in the structure and molecular properties of these 5B2 and 5E quintets are very small and pose a substantial challenge for experiments to resolve them. Yet for a better understanding of the physics of this system, which can lead to the design of novel molecules with enhanced photoswitching performance, it is vital to determine which high-spin state is reached in the transitions that follow the light excitation. The quintet state can be prepared with a short laser pulse and can be studied with cutting-edge time-resolved X-ray techniques. Here we report on the application of an extended set of X-ray spectroscopy and scattering techniques applied to investigate the quintet state of [Fe(terpy)2]2+ 80 ps after light excitation. High-quality X-ray absorption, nonresonant emission, and resonant emission spectra as well as X-ray diffuse scattering data clearly reflect the formation of the high-spin state of the [Fe(terpy)2]2+ molecule; moreover, extended X-ray absorption fine structure spectroscopy resolves the Fe–ligand bond-length variations with unprecedented bond-length accuracy in time-resolved experiments. With ab initio calculations we determine why, in contrast to most related systems, one configurational mode is insufficient for the description of the low-spin (LS)–high-spin (HS) transition. We identify the electronic structure origin of the differences between the two possible quintet modes, and finally, we unambiguously identify the formed quintet state as 5E, in agreement with our theoretical expectations. PMID:25838847

Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy) 2 ] 2+

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vankó, György; Bordage, Amélie; Pápai, Mátyás

2015-03-19

Theoretical predictions show that depending on the populations of the Fe 3dxy, 3dxz, and 3dyz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy)2]2+. The differences in the structure and molecular properties of these 5B2 and 5E quintets are very small and pose a substantial challenge for experiments to resolve them. Yet for a better understanding of the physics of this system, which can lead to the design of novel molecules with enhanced photoswitching performance, it is vital to determine which high-spin state is reached in the transitions that follow the lightmore » excitation. The quintet state can be prepared with a short laser pulse and can be studied with cutting-edge time-resolved X-ray techniques. Here we report on the application of an extended set of X-ray spectroscopy and scattering techniques applied to investigate the quintet state of [Fe(terpy)2]2+ 80 ps after light excitation. High-quality X-ray absorption, nonresonant emission, and resonant emission spectra as well as X-ray diffuse scattering data clearly reflect the formation of the high-spin state of the [Fe(terpy)2]2+ molecule; moreover, extended X-ray absorption fine structure spectroscopy resolves the Fe-ligand bond-length variations with unprecedented bondlength accuracy in time-resolved experiments. With ab initio calculations we determine why, in contrast to most related systems, one configurational mode is insufficient for the description of the low-spin (LS)-high-spin (HS) transition. We identify the electronic structure origin of the differences between the two possible quintet modes, and finally, we unambiguously identify the formed quintet state as 5E, in agreement with our theoretical expectations.« less

Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy) 2 ] 2+

DOE PAGES

Vanko, Gyorgy; Bordage, Amelie; Papai, Matyas; ...

2015-03-19

Theoretical predictions show that depending on the populations of the Fe 3d xy, 3d xz, and 3d yz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy) 2] 2+. The differences in the structure and molecular properties of these 5B2 and 5E quintets are very small and pose a substantial challenge for experiments to resolve them. Yet for a better understanding of the physics of this system, which can lead to the design of novel molecules with enhanced photoswitching performance, it is vital to determine which high-spin state is reached in themore » transitions that follow the light excitation. The quintet state can be prepared with a short laser pulse and can be studied with cutting-edge time-resolved X-ray techniques. Here we report on the application of an extended set of X-ray spectroscopy and scattering techniques applied to investigate the quintet state of [Fe(terpy) 2] 2+ 80 ps after light excitation. High-quality X-ray absorption, nonresonant emission, and resonant emission spectra as well as X-ray diffuse scattering data clearly reflect the formation of the high-spin state of the [Fe(terpy) 2] 2+ molecule; moreover, extended X-ray absorption fine structure spectroscopy resolves the Fe–ligand bond-length variations with unprecedented bond-length accuracy in time-resolved experiments. With ab initio calculations we determine why, in contrast to most related systems, one configurational mode is insufficient for the description of the low-spin (LS)–high-spin (HS) transition. We identify the electronic structure origin of the differences between the two possible quintet modes, and finally, we unambiguously identify the formed quintet state as 5E, in agreement with our theoretical expectations.« less

Galactic Starburst NGC 3603 from X-Rays to Radio

NASA Technical Reports Server (NTRS)

Moffat, A. F. J.; Corcoran, M. F.; Stevens, I. R.; Skalkowski, G.; Marchenko, S. V.; Muecke, A.; Ptak, A.; Koribalski, B. S.; Brenneman, L.; Mushotzky, R.;

Ab initio studies of ultrafast x-ray scattering of the photodissociation of iodine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Debnarova, Andrea; Techert, Simone; Schmatz, Stefan

2010-09-28

We computationally examine various aspects of the reaction dynamics of the photodissociation and recombination of molecular iodine. We use our recently proposed formalism to calculate time-dependent x-ray scattering signal changes from first principles. Different aspects of the dynamics of this prototypical reaction are studied, such as coherent and noncoherent processes, features of structural relaxation that are periodic in time versus nonperiodic dissociative processes, as well as small electron density changes caused by electronic excitation, all with respect to x-ray scattering. We can demonstrate that wide-angle x-ray scattering offers a possibility to study the changes in electron densities in nonperiodic systems,more » which render it a suitable technique for the investigation of chemical reactions from a structural dynamics point of view.« less

Geant4 simulations of a wide-angle x-ray focusing telescope

NASA Astrophysics Data System (ADS)

Zhao, Donghua; Zhang, Chen; Yuan, Weimin; Zhang, Shuangnan; Willingale, Richard; Ling, Zhixing

2017-06-01

The rapid development of X-ray astronomy has been made possible by widely deploying X-ray focusing telescopes on board many X-ray satellites. Geant4 is a very powerful toolkit for Monte Carlo simulations and has remarkable abilities to model complex geometrical configurations. However, the library of physical processes available in Geant4 lacks a description of the reflection of X-ray photons at a grazing incident angle which is the core physical process in the simulation of X-ray focusing telescopes. The scattering of low-energy charged particles from the mirror surfaces is another noteworthy process which is not yet incorporated into Geant4. Here we describe a Monte Carlo model of a simplified wide-angle X-ray focusing telescope adopting lobster-eye optics and a silicon detector using the Geant4 toolkit. With this model, we simulate the X-ray tracing, proton scattering and background detection. We find that: (1) the effective area obtained using Geant4 is in agreement with that obtained using Q software with an average difference of less than 3%; (2) X-rays are the dominant background source below 10 keV; (3) the sensitivity of the telescope is better by at least one order of magnitude than that of a coded mask telescope with the same physical dimensions; (4) the number of protons passing through the optics and reaching the detector by Firsov scattering is about 2.5 times that of multiple scattering for the lobster-eye telescope.

X-ray reciprocal space mapping of dislocation-mediated strain relaxation during InGaAs/GaAs(001) epitaxial growth

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sasaki, Takuo; Ohshita, Yoshio; Kamiya, Itaru

2011-12-01

Dislocation-mediated strain relaxation during lattice-mismatched InGaAs/GaAs(001) heteroepitaxy was studied through in situ x-ray reciprocal space mapping (in situ RSM). At the synchrotron radiation facility SPring-8, a hybrid system of molecular beam epitaxy and x-ray diffractometry with a two-dimensional detector enabled us to perform in situ RSM at high-speed and high-resolution. Using this experimental setup, four results in terms of film properties were simultaneously extracted as functions of film thickness. These were the lattice constants, the diffraction broadenings along in-plane and out-of-plane directions, and the diffuse scattering. Based on correlations among these results, the strain relaxation processes were classified into fourmore » thickness ranges with different dislocation behavior. In addition, the existence of transition regimes between the thickness ranges was identified. Finally, the dominant dislocation behavior corresponding to each of the four thickness ranges and transition regimes was noted.« less

Nonthermal Emission from Relativistic Electrons in Clusters of Galaxies: A Merger Shock Acceleration Model

NASA Astrophysics Data System (ADS)

Takizawa, Motokazu; Naito, Tsuguya

2000-06-01

We have investigated evolution of nonthermal emission from relativistic electrons accelerated around the shock fronts during mergers of clusters of galaxies. We estimate synchrotron radio emission and inverse Compton scattering of cosmic microwave background photons from extreme ultraviolet (EUV) to hard X-ray range. The hard X-ray emission is most luminous in the later stage of a merger. Both hard X-ray and radio emissions are luminous only while signatures of merging events are clearly seen in the thermal intracluster medium (ICM). On the other hand, EUV radiation is still luminous after the system has relaxed. Propagation of shock waves and bulk-flow motion of ICM play crucial roles in extending radio halos. In the contracting phase, radio halos are located at the hot region of ICM or between two substructures. In the expanding phase, on the other hand, radio halos are located between two ICM hot regions and show rather diffuse distribution.

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

PubMed

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.

Fermi LAT Observation of Diffuse Gamma-Rays Produced through Interactions Between Local Interstellar Matter and High Energy Cosmic Rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdo, A.A.; /Naval Research Lab, Wash., D.C. /Federal City Coll.; Ackermann, M.

Observations by the Large Area Telescope (LAT) on the Fermi mission of diffuse {gamma}-rays in a mid-latitude region in the third quadrant (Galactic longitude l from 200{sup o} to 260{sup o} and latitude |b| from 22{sup o} to 60{sup o}) are reported. The region contains no known large molecular cloud and most of the atomic hydrogen is within 1 kpc of the solar system. The contributions of {gamma}-ray point sources and inverse Compton scattering are estimated and subtracted. The residual {gamma}-ray intensity exhibits a linear correlation with the atomic gas column density in energy from 100 MeV to 10 GeV.more » The measured integrated {gamma}-ray emissivity is (1.63 {+-} 0.05) x 10{sup -26} photons s{sup -1}sr{sup -1} H-atom{sup -1} and (0.66 {+-} 0.02) x 10{sup -26} photons s{sup -1}sr{sup -1} H-atom{sup -1} above 100 MeV and above 300 MeV, respectively, with an additional systematic error of {approx}10%. The differential emissivity from 100 MeV to 10 GeV agrees with calculations based on cosmic ray spectra consistent with those directly measured, at the 10% level. The results obtained indicate that cosmic ray nuclei spectra within 1 kpc from the solar system in regions studied are close to the local interstellar spectra inferred from direct measurements at the Earth within {approx}10%.« less

Density of bunched threading dislocations in epitaxial GaN layers as determined using X-ray diffraction

NASA Astrophysics Data System (ADS)

Barchuk, M.; Holý, V.; Rafaja, D.

2018-04-01

X-ray diffraction is one of the most popular experimental methods employed for determination of dislocation densities, as it can recognize both the strain fields and the local lattice rotations produced by dislocations. The main challenge of the quantitative analysis of the dislocation density is the formulation of a suitable microstructure model, which describes the dislocation arrangement and the effect of the interactions between the strain fields from neighboring dislocations reliably in order to be able to determine the dislocation densities precisely. The aim of this study is to prove the capability of X-ray diffraction and two computational methods, which are frequently used for quantification of the threading dislocation densities from X-ray diffraction measurements, in the special case of partially bunched threading dislocations. The first method is based on the analysis of the dislocation-controlled crystal mosaicity, and the other one on the analysis of diffuse X-ray scattering from threading dislocations. The complementarity of both methods is discussed. Furthermore, it is shown how the complementarity of these methods can be used to improve the results of the quantitative analysis of bunched and thus inhomogeneously distributed threading dislocations and to get a better insight into the dislocation arrangement.

Chemical Modification of Graphene Oxide by Nitrogenation: An X-ray Absorption and Emission Spectroscopy Study

NASA Astrophysics Data System (ADS)

Chuang, Cheng-Hao; Ray, Sekhar C.; Mazumder, Debarati; Sharma, Surbhi; Ganguly, Abhijit; Papakonstantinou, Pagona; Chiou, Jau-Wern; Tsai, Huang-Ming; Shiu, Hung-Wei; Chen, Chia-Hao; Lin, Hong-Ji; Guo, Jinghua; Pong, Way-Faung

2017-02-01

Nitrogen-doped graphene oxides (GO:Nx) were synthesized by a partial reduction of graphene oxide (GO) using urea [CO(NH2)2]. Their electronic/bonding structures were investigated using X-ray absorption near-edge structure (XANES), valence-band photoemission spectroscopy (VB-PES), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS). During GO:Nx synthesis, different nitrogen-bonding species, such as pyrrolic/graphitic-nitrogen, were formed by replacing of oxygen-containing functional groups. At lower N-content (2.7 at%), pyrrolic-N, owing to surface and subsurface diffusion of C, N and NH is deduced from various X-ray spectroscopies. In contrast, at higher N-content (5.0 at%) graphitic nitrogen was formed in which each N-atom trigonally bonds to three distinct sp2-hybridized carbons with substitution of the N-atoms for C atoms in the graphite layer. Upon nitrogen substitution, the total density of state close to Fermi level is increased to raise the valence-band maximum, as revealed by VB-PES spectra, indicating an electron donation from nitrogen, molecular bonding C/N/O coordination or/and lattice structure reorganization in GO:Nx. The well-ordered chemical environments induced by nitrogen dopant are revealed by XANES and RIXS measurements.

Experiment and application of soft x-ray grazing incidence optical scattering phenomena

NASA Astrophysics Data System (ADS)

Chen, Shuyan; Li, Cheng; Zhang, Yang; Su, Liping; Geng, Tao; Li, Kun

2017-08-01

For short wavelength imaging systems，surface scattering effects is one of important factors degrading imaging performance. Study of non-intuitive surface scatter effects resulting from practical optical fabrication tolerances is a necessary work for optical performance evaluation of high resolution short wavelength imaging systems. In this paper, Soft X-ray optical scattering distribution is measured by a soft X-ray reflectometer installed by my lab, for different sample mirrors、wavelength and grazing angle. Then aim at space solar telescope, combining these scattered light distributions, and surface scattering numerical model of grazing incidence imaging system, PSF and encircled energy of optical system of space solar telescope are computed. We can conclude that surface scattering severely degrade imaging performance of grazing incidence systems through analysis and computation.

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

DOEpatents

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.

16th National School on Neutron and X-ray Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakoumakos, Bryan; Achilles, Cherie; Cybulskis, Viktor

Students talk about their experience at the 16th National School on Neutron and X-ray Scattering, or NXS 2014. Jointly conducted by Oak Ridge and Argonne national laboratories, NXS immerses graduate students in national user facilities to learn in a hands-on environment how to use neutrons and X-rays in their research.

16th National School on Neutron and X-ray Scattering

ScienceCinema

Chakoumakos, Bryan; Achilles, Cherie; Cybulskis, Viktor; Gilbert, Ian

2018-02-14

Students talk about their experience at the 16th National School on Neutron and X-ray Scattering, or NXS 2014. Jointly conducted by Oak Ridge and Argonne national laboratories, NXS immerses graduate students in national user facilities to learn in a hands-on environment how to use neutrons and X-rays in their research.

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

NASA Technical Reports Server (NTRS)

Froechtenigt, J. F.

1973-01-01

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

Ion charge state distribution effects on elastic X-ray Thomson scattering

NASA Astrophysics Data System (ADS)

Iglesias, Carlos A.

2018-03-01

Analytic models commonly applied in elastic X-ray Thomson scattering cross-section calculations are used to generate results from a discrete ion charge distribution and an average charge description. Comparisons show that interchanging the order of the averaging procedure can appreciably alter the cross-section, especially for plasmas with partially filled K-shell bound electrons. In addition, two common approximations to describe the free electron density around an ion are shown to yield significantly different elastic X-ray Thomson scattering cross-sections.

Probing the Spatial Distribution of the Interstellar Dust Medium by High Angular Resolution X-ray Halos of Point Sources

NASA Astrophysics Data System (ADS)

Xiang, Jingen

X-rays are absorbed and scattered by dust grains when they travel through the interstellar medium. The scattering within small angles results in an X-ray ``halo''. The halo properties are significantly affected by the energy of radiation, the optical depth of the scattering, the grain size distributions and compositions, and the spatial distribution of dust along the line of sight (LOS). Therefore analyzing the X-ray halo properties is an important tool to study the size distribution and spatial distribution of interstellar grains, which plays a central role in the astrophysical study of the interstellar medium, such as the thermodynamics and chemistry of the gas and the dynamics of star formation. With excellent angular resolution, good energy resolution and broad energy band, the Chandra ACIS is so far the best instrument for studying the X-ray halos. But the direct images of bright sources obtained with ACIS usually suffer from severe pileup which prevents us from obtaining the halos in small angles. We first improve the method proposed by Yao et al to resolve the X-ray dust scattering halos of point sources from the zeroth order data in CC-mode or the first order data in TE mode with Chandra HETG/ACIS. Using this method we re-analyze the Cygnus X-1 data observed with Chandra. Then we studied the X-ray dust scattering halos around 17 bright X-ray point sources using Chandra data. All sources were observed with the HETG/ACIS in CC-mode or TE-mode. Using the interstellar grain models of WD01 model and MRN model to fit the halo profiles, we get the hydrogen column densities and the spatial distributions of the scattering dust grains along the line of sights (LOS) to these sources. We find there is a good linear correlation not only between the scattering hydrogen column density from WD01 model and the one from MRN model, but also between N_{H} derived from spectral fits and the one derived from the grain models WD01 and MRN (except for GX 301-2 and Vela X-1): N_{H,WD01} = (0.720±0.009) × N_{H,abs} + (0.051±0.013) and N_{H, MRN} = (1.156±0.016) × N_{H,abs} + (0.062±0.024) in the units 10^{22} cm^{-2}. Then the correlation between FHI and N_{H} is obtained. Both WD01 model and MRN model fits show that the scattering dust density very close to these sources is much higher than the normal interstellar medium and we consider it is the evidence of molecular clouds around these X-ray binaries. We also find that there is the linear correlation between the effective distance through the galactic dust layer and hydrogen scattering olumn density N_{H} excluding the one in x=0.99-1.0 but the correlation does not exist between he effective distance and the N_{H} in x=0.99-1.0. It shows that the dust nearby the X-ray sources is not the dust from galactic disk. Then we estimate the structure and density of the stellar wind around the special X-ray pulsars Vela X-1 and GX 301-2. Finally we discuss the possibility of probing the three dimensional structure of the interstellar using the X-ray halos of the transient sources, probing the spatial distributions of interstellar dust medium nearby the point sources, even the structure of the stellar winds using higher angular resolution X-ray dust scattering halos and testing the model that the black hole can be formed from the direct collapse of a massive star without supernova using the statistical distribution of the dust density nearby the X-ray binaries.

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

NASA Technical Reports Server (NTRS)

Ross, H. Richard

1993-01-01

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

Assessment study of ion-exchange chromatography combined with solution X-ray scattering measurement for protein characterization.

PubMed

Watanabe, Yasushi

2018-03-02

The performance of ion-exchange chromatography combined with small-angle X-ray scattering measurement was evaluated by characterization of the hen egg white lysozyme as a model protein. The X-ray transmittance was estimated using a micro-ionization chamber equipped with a sample cell holder for the real-time monitoring of the X-ray beam strength through the salt gradient elution. The radius of gyration of the eluted protein was estimated to be 1.50 ± 0.06 (n = 3) nm and 1.4 ± 0.1 nm as the value at the zero protein concentration. By using the X-ray transmittance values for the scattering intensity correction, the molecular weight of the eluted protein was estimated to be 15,200 ± 500 (n = 3) and 14,400 ± 200 as the value at the zero protein concentration. These values are close to those of the monomer of this protein. The ion-exchange chromatography combined with the small-angle X-ray scattering measurement system equipped with the X-ray transmittance monitor is a reliable method for protein characterization in solution. Copyright © 2018 Elsevier B.V. All rights reserved.

Nonlinear resonance scattering of femtosecond X-ray pulses on atoms in plasmas

NASA Astrophysics Data System (ADS)

Rosmej, F. B.; Astapenko, V. A.; Lisitsa, V. S.; Moroz, N. N.

2017-11-01

It is shown that for sufficiently short pulses the resonance scattering probability becomes a nonlinear function of the pulse duration. For fs X-ray pulses scattered on atoms in plasmas maxima and minima develop in the nonlinear regime whereas in the limit of long pulses the probability becomes linear and turns over into the standard description of the electromagnetic pulse scattering. Numerical calculations are carried out in terms of a generalized scattering probability for the total time of pulse duration including fine structure splitting and ion Doppler broadening in hot plasmas. For projected X-ray monocycles, the generalized nonlinear approach differs by 1-2 orders of magnitude from the standard theory.

Sub-Millisecond Time Resolved X-ray Surface Diffraction During Pulsed Laser Deposition

NASA Astrophysics Data System (ADS)

Tischler, J. Z.; Larson, B. C.; Eres, Gyula; Rouleau, C. M.; Lowndes, D. H.; Yoon, M.; Zschack, P.

2001-03-01

The initial crystallization and evolution of the SrTiO3 (001) surface during homoeptaxial pulsed laser deposition growth of SrTiO3 was studied using time resolved surface x-ray diffraction with a time resolution down to 200 μ s. Measurements performed at the UNICAT undulator line at the Advanced Photon Source indicated prompt formation of epitaxial SrTiO3 bi-layers down to our limiting time resolution. The subsequent evolution of the surface occurred on a much greater time scale, and was studied both by measurements of surface truncation rod intensities and by measurements of diffuse scattering near the rod. The effect of temperature and correlation with in-plane order will also be discussed.

High performance x-ray anti-scatter grid

DOEpatents

Logan, C.M.

1995-05-23

Disclosed are an x-ray anti-scatter grid for x-ray imaging, particularly for screening mammography, and method for fabricating same, x-rays incident along a direct path pass through a grid composed of a plurality of parallel or crossed openings, microchannels, grooves, or slots etched in a substrate, such as silicon, having the walls of the microchannels or slots coated with a high opacity material, such as gold, while x-rays incident at angels with respect to the slots of the grid, arising from scatter, are blocked. The thickness of the substrate is dependent on the specific application of the grid, whereby a substrate of the grid for mammography would be thinner than one for chest radiology. Instead of coating the walls of the slots, such could be filed with an appropriate liquid, such as mercury. 4 Figs.

Small area silicon diffused junction X-ray detectors

NASA Technical Reports Server (NTRS)

Walton, J. T.; Pehl, R. H.; Larsh, A. E.

1982-01-01

The low-temperature performance of silicon diffused junction detectors in the measurement of low energy X-rays is reported. The detectors have an area of 0.04 sq cm and a thickness of 100 microns. The spectral resolutions of these detectors were found to be in close agreement with expected values, indicating that the defects introduced by the high-temperature processing required in the device fabrication were not deleteriously affecting the detection of low-energy X-rays. Device performance over a temperature range of 77 K to 150 K is given. These detectors were designed to detect low-energy X-rays in the presence of minimum ionizing electrons. The successful application of silicon-diffused junction technology to X-ray detector fabrication may facilitate the development of other novel silicon X-ray detector designs.

Using X-ray Thomson Scattering to Characterize Highly Compressed, Near-Degenerate Plasmas at the NIF

NASA Astrophysics Data System (ADS)

Doeppner, Tilo; Kraus, D.; Neumayer, P.; Bachmann, B.; Divol, L.; Kritcher, A. L.; Landen, O. L.; Fletcher, L.; Glenzer, S. H.; Falcone, R. W.; MacDonald, M. J.; Saunders, A.; Witte, B.; Redmer, R.; Chapman, D.; Baggott, R.; Gericke, D. O.; Yi, S. A.

2017-10-01

We are developing x-ray Thomson scattering for implosion experiments at the National Ignition Facility to characterize plasma conditions in plastic and beryllium capsules near stagnation, reaching more than 20x compression and electron densities of 1025 cm-3, corresponding to a Fermi energy of 170 eV. Using a zinc He- α x-ray source at 9 keV, experiments at a large scattering angle of 120° measure non-collective scattering spectra with high sensitivity to K-shell ionization, and find higher charge states than predicted by widely used ionization models. Reducing the scattering angle to 30° probes the collective scattering regime with sensitivity to collisions and conductivity. We will discuss recent results and future plans. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

High resolution x-ray Thomson scattering measurements from cryogenic hydrogen jets using the linac coherent light source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fletcher, L. B., E-mail: lbfletch@slac.stanford.edu; Galtier, E.; Gamboa, E. J.

2016-11-15

We present the first spectrally resolved measurements of x-rays scattered from cryogenic hydrogen jets in the single photon counting limit. The 120 Hz capabilities of the LCLS, together with a novel hydrogen jet design [J. B. Kim et al., Rev. Sci. Instrum. (these proceedings)], allow for the ability to record a near background free spectrum. Such high-dynamic-range x-ray scattering measurements enable a platform to study ultra-fast, laser-driven, heating dynamics of hydrogen plasmas. This measurement has been achieved using two highly annealed pyrolytic graphite crystal spectrometers to spectrally resolve 5.5 keV x-rays elastically and inelastically scattered from cryogenic hydrogen and focusedmore » on Cornell-SLAC pixel array detectors [S. Herrmann et al., Nucl. Instrum. Methods Phys. Res., Sect. A 718, 550 (2013)].« less

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

NASA Astrophysics Data System (ADS)

Inkinen, Juho; Niskanen, Johannes; Talka, Tuomas; Sahle, Christoph J.; Müller, Harald; Khriachtchev, Leonid; Hashemi, Javad; Akbari, Ali; Hakala, Mikko; Huotari, Simo

2015-11-01

A classic example of solid-state topochemical reactions is the ultraviolet-light induced photodimerization of α-trans-cinnamic acid (CA). Here, we report the first observation of an X-ray-induced dimerization of CA and monitor it in situ using nonresonant inelastic X-ray scattering spectroscopy (NRIXS). The time-evolution of the carbon core-electron excitation spectra shows the effects of two X-ray induced reactions: dimerization on a short time-scale and disintegration on a long time-scale. We used spectrum simulations of CA and its dimerization product, α-truxillic acid (TA), to gain insight into the dimerization effects. From the time-resolved spectra, we extracted component spectra and time-dependent weights corresponding to CA and TA. The results suggest that the X-ray induced dimerization proceeds homogeneously in contrast to the dimerization induced by ultraviolet light. We also utilized the ability of NRIXS for direct tomography with chemical-bond contrast to image the spatial progress of the reactions in the sample crystal. Our work paves the way for other time-resolved studies on chemical reactions using inelastic X-ray scattering.

X-ray induced dimerization of cinnamic acid: Time-resolved inelastic X-ray scattering study

PubMed Central

Inkinen, Juho; Niskanen, Johannes; Talka, Tuomas; Sahle, Christoph J.; Müller, Harald; Khriachtchev, Leonid; Hashemi, Javad; Akbari, Ali; Hakala, Mikko; Huotari, Simo

2015-01-01

A classic example of solid-state topochemical reactions is the ultraviolet-light induced photodimerization of α-trans-cinnamic acid (CA). Here, we report the first observation of an X-ray-induced dimerization of CA and monitor it in situ using nonresonant inelastic X-ray scattering spectroscopy (NRIXS). The time-evolution of the carbon core-electron excitation spectra shows the effects of two X-ray induced reactions: dimerization on a short time-scale and disintegration on a long time-scale. We used spectrum simulations of CA and its dimerization product, α-truxillic acid (TA), to gain insight into the dimerization effects. From the time-resolved spectra, we extracted component spectra and time-dependent weights corresponding to CA and TA. The results suggest that the X-ray induced dimerization proceeds homogeneously in contrast to the dimerization induced by ultraviolet light. We also utilized the ability of NRIXS for direct tomography with chemical-bond contrast to image the spatial progress of the reactions in the sample crystal. Our work paves the way for other time-resolved studies on chemical reactions using inelastic X-ray scattering. PMID:26568420

Graphene-Based Polymer Nanocomposites

DTIC Science & Technology

2015-03-31

Raman band I(δ) X - ray scattering intensity in the azimuthal scan I(r) Raman band intensity within laser spot I(ω...Krenchel orientation factor Θ Angle between the incident and the scattering X - ray θ Angle between the surface normal of graphene and sample λ...Wavelength of laser or X - ray λ2/λ4 Parameter in orientation distribution function µ Molecular dipole moment

MCNP6 simulation of radiographs generated from megaelectron volt X-rays for characterizing a computed tomography system

NASA Astrophysics Data System (ADS)

Dooraghi, Alex A.; Tringe, Joseph W.

2018-04-01

To evaluate conventional munition, we simulated an x-ray computed tomography (CT) system for generating radiographs from nominal x-ray energies of 6 or 9 megaelectron volts (MeV). CT simulations, informed by measured data, allow for optimization of both system design and acquisition techniques necessary to enhance image quality. MCNP6 radiographic simulation tools were used to model ideal detector responses (DR) that assume either (1) a detector response proportional to photon flux (N) or (2) a detector response proportional to energy flux (E). As scatter may become significant with MeV x-ray systems, simulations were performed with and without the inclusion of object scatter. Simulations were compared against measurements of a cylindrical munition component principally composed of HMX, tungsten and aluminum encased in carbon fiber. Simulations and measurements used a 6 MeV peak energy x-ray spectrum filtered with 3.175 mm of tantalum. A detector response proportional to energy which includes object scatter agrees to within 0.6 % of the measured line integral of the linear attenuation coefficient. Exclusion of scatter increases the difference between measurement and simulation to 5 %. A detector response proportional to photon flux agrees to within 20 % when object scatter is included in the simulation and 27 % when object scatter is excluded.

Photoluminescence studies on Cd(1-x)Zn(x)S:Mn2+ nanocrystals.

PubMed

Sethi, Ruchi; Kumar, Lokendra; Pandey, A C

2009-09-01

Highly monodispersed, undoped and doped with Mn2+, binary and ternary (CdS, ZnS, Cd(1-x)Zn(x)S) compound semiconductor nanocrystals have been synthesized by co-precipitation method using citric acid as a stabilizer. As prepared sample are characterized by X-ray diffraction, Small angle X-ray scattering, Transmission electron microscope, Optical absorption and Photoluminescence spectroscopy, for their optical and structural properties. X-ray diffraction, Small angle X-ray scattering and Transmission electron microscope results confirm the preparation of monodispersed nanocrystals. Photoluminescence studies show a significant blue shift in the wavelength with an increasing concentration of Zn in alloy nanocrystals.

Creation of X-Ray Transparency of Matter by Stimulated Elastic Forward Scattering.

PubMed

Stöhr, J; Scherz, A

2015-09-04

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

Creation of X-Ray Transparency of Matter by Stimulated Elastic Forward Scattering

NASA Astrophysics Data System (ADS)

Stöhr, J.; Scherz, A.

2015-09-01

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

Very low luminosity active galaxies and the X-ray background

NASA Technical Reports Server (NTRS)

Elvis, M.; Soltan, A.; Keel, W. C.

1984-01-01

The properties of very low luminosity active galactic nuclei are not well studied, and, in particular, their possible contribution to the diffuse X-ray background is not known. In the present investigation, an X-ray luminosity function for the range from 10 to the 39th to 10 to the 42.5th ergs/s is constructed. The obtained X-ray luminosity function is integrated to estimate the contribution of these very low luminosity active galaxies to the diffuse X-ray background. The construction of the X-ray luminosity function is based on data obtained by Keel (1983) and some simple assumptions about optical and X-ray properties.

Non-Local Diffusion of Energetic Electrons during Solar Flares

NASA Astrophysics Data System (ADS)

Bian, N. H.; Emslie, G.; Kontar, E.

2017-12-01

The transport of the energy contained in suprathermal electrons in solar flares plays a key role in our understanding of many aspects of flare physics, from the spatial distributions of hard X-ray emission and energy deposition in the ambient atmosphere to global energetics. Historically the transport of these particles has been largely treated through a deterministic approach, in which first-order secular energy loss to electrons in the ambient target is treated as the dominant effect, with second-order diffusive terms (in both energy and angle) generally being either treated as a small correction or even neglected. Here, we critically analyze this approach, and we show that spatial diffusion through pitch-angle scattering necessarily plays a very significant role in the transport of electrons. We further show that a satisfactory treatment of the diffusion process requires consideration of non-local effects, so that the electron flux depends not just on the local gradient of the electron distribution function but on the value of this gradient within an extended region encompassing a significant fraction of a mean free path. Our analysis applies generally to pitch-angle scattering by a variety of mechanisms, from Coulomb collisions to turbulent scattering. We further show that the spatial transport of electrons along the magnetic field of a flaring loop can be modeled as a Continuous Time Random Walk with velocity-dependent probability distribution functions of jump sizes and occurrences, both of which can be expressed in terms of the scattering mean free path.

X-ray Echo Spectroscopy

NASA Astrophysics Data System (ADS)

Shvyd'ko, Yuri

2016-02-01

X-ray echo spectroscopy, a counterpart of neutron spin echo, is being introduced here to overcome limitations in spectral resolution and weak signals of the traditional inelastic x-ray scattering (IXS) probes. An image of a pointlike x-ray source is defocused by a dispersing system comprised of asymmetrically cut specially arranged Bragg diffracting crystals. The defocused image is refocused into a point (echo) in a time-reversal dispersing system. If the defocused beam is inelastically scattered from a sample, the echo signal acquires a spatial distribution, which is a map of the inelastic scattering spectrum. The spectral resolution of the echo spectroscopy does not rely on the monochromaticity of the x rays, ensuring strong signals along with a very high spectral resolution. Particular schemes of x-ray echo spectrometers for 0.1-0.02 meV ultrahigh-resolution IXS applications (resolving power >108 ) with broadband ≃5 - 13 meV dispersing systems are introduced featuring more than 103 signal enhancement. The technique is general, applicable in different photon frequency domains.

Infrastructure development for radioactive materials at the NSLS-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprouster, D. J.; Weidner, R.; Ghose, S. K.

2018-02-01

The X-ray Powder Diffraction (XPD) Beamline at the National Synchrotron Light Source-II is a multipurpose instrument designed for high-resolution, high-energy X-ray scattering techniques. In this article, the capabilities, opportunities and recent developments in the characterization of radioactive materials at XPD are described. The overarching goal of this work is to provide researchers access to advanced synchrotron techniques suited to the structural characterization of materials for advanced nuclear energy systems. XPD is a new beamline providing high photon flux for X-ray Diffraction, Pair Distribution Function analysis and Small Angle X-ray Scattering. The infrastructure and software described here extend the existing capabilitiesmore » at XPD to accommodate radioactive materials. Such techniques will contribute crucial information to the characterization and quantification of advanced materials for nuclear energy applications. We describe the automated radioactive sample collection capabilities and recent X-ray Diffraction and Small Angle X-ray Scattering results from neutron irradiated reactor pressure vessel steels and oxide dispersion strengthened steels.« less

The use of short and wide x-ray pulses for time-of-flight x-ray Compton Scatter Imaging in cargo security

NASA Astrophysics Data System (ADS)

Calvert, Nick; Betcke, Marta M.; Cresswell, John R.; Deacon, Alick N.; Gleeson, Anthony J.; Judson, Daniel S.; Mason, Peter; McIntosh, Peter A.; Morton, Edward J.; Nolan, Paul J.; Ollier, James; Procter, Mark G.; Speller, Robert D.

2015-05-01

Using a short pulse width x-ray source and measuring the time-of-flight of photons that scatter from an object under inspection allows for the point of interaction to be determined, and a profile of the object to be sampled along the path of the beam. A three dimensional image can be formed by interrogating the entire object. Using high energy x rays enables the inspection of cargo containers with steel walls, in the search for concealed items. A longer pulse width x-ray source can also be used with deconvolution techniques to determine the points of interaction. We present time-of-flight results from both short (picosecond) width and long (hundreds of nanoseconds) width x-ray sources, and show that the position of scatter can be localised with a resolution of 2 ns, equivalent to 30 cm, for a 3 cm thick plastic test object.

Infrastructure development for radioactive materials at the NSLS-II

DOE PAGES

Sprouster, David J.; Weidner, R.; Ghose, S. K.; ...

2017-11-04

The X-ray Powder Diffraction (XPD) Beamline at the National Synchrotron Light Source-II is a multipurpose instrument designed for high-resolution, high-energy X-ray scattering techniques. In this paper, the capabilities, opportunities and recent developments in the characterization of radioactive materials at XPD are described. The overarching goal of this work is to provide researchers access to advanced synchrotron techniques suited to the structural characterization of materials for advanced nuclear energy systems. XPD is a new beamline providing high photon flux for X-ray Diffraction, Pair Distribution Function analysis and Small Angle X-ray Scattering. The infrastructure and software described here extend the existing capabilitiesmore » at XPD to accommodate radioactive materials. Such techniques will contribute crucial information to the characterization and quantification of advanced materials for nuclear energy applications. Finally, we describe the automated radioactive sample collection capabilities and recent X-ray Diffraction and Small Angle X-ray Scattering results from neutron irradiated reactor pressure vessel steels and oxide dispersion strengthened steels.« less

Time-Resolved Small-Angle X-ray Scattering Reveals Millisecond Transitions of a DNA Origami Switch.

PubMed

Bruetzel, Linda K; Walker, Philipp U; Gerling, Thomas; Dietz, Hendrik; Lipfert, Jan

2018-04-11

Self-assembled DNA structures enable creation of specific shapes at the nanometer-micrometer scale with molecular resolution. The construction of functional DNA assemblies will likely require dynamic structures that can undergo controllable conformational changes. DNA devices based on shape complementary stacking interactions have been demonstrated to undergo reversible conformational changes triggered by changes in ionic environment or temperature. An experimentally unexplored aspect is how quickly conformational transitions of large synthetic DNA origami structures can actually occur. Here, we use time-resolved small-angle X-ray scattering to monitor large-scale conformational transitions of a two-state DNA origami switch in free solution. We show that the DNA device switches from its open to its closed conformation upon addition of MgCl 2 in milliseconds, which is close to the theoretical diffusive speed limit. In contrast, measurements of the dimerization of DNA origami bricks reveal much slower and concentration-dependent assembly kinetics. DNA brick dimerization occurs on a time scale of minutes to hours suggesting that the kinetics depend on local concentration and molecular alignment.

Effect of water on the changes in morphology and proton conductivity for the highly crystalline hydrocarbon polymer electrolyte membrane for fuel cells.

PubMed

Barique, Mohammad A; Wu, Libin; Takimoto, Naohiko; Kidena, Koh; Ohira, Akihiro

2009-12-10

The effects of water on the changes in morphology of sulfonated poly(phenylene sulfide) (SPPS) hydrocarbon polymer electrolyte membranes (PEM) with an ion exchange capacity (IEC) of 0-2.0 mequiv/g are investigated using small-angle X-ray scattering (SAXS) and atomic force microscopy (AFM). Wide-angle X-ray scattering (WAXS) was used to characterize the effect of direct sulfonation on the changes in membrane crystalline structure, and it was found that the crystallinity and crystallite domain size decrease and the volume of the amorphous region in the SPPS membranes increases with increasing IEC. The experimental data have been fitted to the Porod law for approaching the analysis of the sharpness of the polymer/water interface, development of the proton channel, or dispersion of water in the hydrated membranes. Porod plots showed positive deviation which revealed that the polymer/water interface in the hydrated SPPS membrane is not smooth but diffused and a well-developed proton channel does not form in the membrane.

Low temperature Zn diffusion for GaSb solar cell structures fabrication

NASA Technical Reports Server (NTRS)

Sulima, Oleg V.; Faleev, Nikolai N.; Kazantsev, Andrej B.; Mintairov, Alexander M.; Namazov, Ali

1995-01-01

Low temperature Zn diffusion in GaSb, where the minimum temperature was 450 C, was studied. The pseudo-closed box (PCB) method was used for Zn diffusion into GaAs, AlGaAs, InP, InGaAs and InGaAsP. The PCB method avoids the inconvenience of sealed ampoules and proved to be simple and reproducible. The special design of the boat for Zn diffusion ensured the uniformality of Zn vapor pressure across the wafer surface, and thus the uniformity of the p-GaSb layer depth. The p-GaSb layers were studied using Raman scattering spectroscopy and the x-ray rocking curve method. As for the postdiffusion processing, an anodic oxidation was used for a precise thinning of the diffused GaSb layers. The results show the applicability of the PCB method for the large-scale production of the GaSb structures for solar cells.

The Discovery of an Evolving Dust Scattered X-ray Halo Around GRB 031203

NASA Technical Reports Server (NTRS)

Vaughan, S.; Willingale, R.; OBrien, P. T.; Osborne, J. P.; Reeves, J. N.; Levan, A. J.; Watson, M. G.; Tedds, J. A.; Watson, D.; Santos-Lleo, M.

2003-01-01

We report the first detection of a time-dependent, dust-scattered X-ray halo around a gamma-ray burst. GRB3 031203 was observed by XMM-Newton starting six hours after the burst. The halo appeared as concentric ring-like structures centered on the GRB location. The radii of these structures increased with time as t(sup 1/2), consistent with small-angle X-ray scattering caused by a large column of dust along the line of sight to a cosmologically distant GRB. The rings are due to dust concentrated in two distinct slabs in the Galaxy located at distances of 880 and 1390 pc, consistent with known Galactic features. The halo brightness implies an initial soft X-ray pulse consistent with the observed GRB.

Order of Magnitude Sensitivity Increase in X-ray Fluorescence Computed Tomography (XFCT) Imaging With an Optimized Spectro-Spatial Detector Configuration: Theory and Simulation

PubMed Central

Ahmad, Moiz; Bazalova, Magdalena; Xiang, Liangzhong

2014-01-01

The purpose of this study was to increase the sensitivity of XFCT imaging by optimizing the data acquisition geometry for reduced scatter X-rays. The placement of detectors and detector energy window were chosen to minimize scatter X-rays. We performed both theoretical calculations and Monte Carlo simulations of this optimized detector configuration on a mouse-sized phantom containing various gold concentrations. The sensitivity limits were determined for three different X-ray spectra: a monoenergetic source, a Gaussian source, and a conventional X-ray tube source. Scatter X-rays were minimized using a backscatter detector orientation (scatter direction > 110° to the primary X-ray beam). The optimized configuration simultaneously reduced the number of detectors and improved the image signal-to-noise ratio. The sensitivity of the optimized configuration was 10 µg/mL (10 pM) at 2 mGy dose with the mono-energetic source, which is an order of magnitude improvement over the unoptimized configuration (102 pM without the optimization). Similar improvements were seen with the Gaussian spectrum source and conventional X-ray tube source. The optimization improvements were predicted in the theoretical model and also demonstrated in simulations. The sensitivity of XFCT imaging can be enhanced by an order of magnitude with the data acquisition optimization, greatly enhancing the potential of this modality for future use in clinical molecular imaging. PMID:24770916

Order of magnitude sensitivity increase in X-ray Fluorescence Computed Tomography (XFCT) imaging with an optimized spectro-spatial detector configuration: theory and simulation.

PubMed

Ahmad, Moiz; Bazalova, Magdalena; Xiang, Liangzhong; Xing, Lei

2014-05-01

The purpose of this study was to increase the sensitivity of XFCT imaging by optimizing the data acquisition geometry for reduced scatter X-rays. The placement of detectors and detector energy window were chosen to minimize scatter X-rays. We performed both theoretical calculations and Monte Carlo simulations of this optimized detector configuration on a mouse-sized phantom containing various gold concentrations. The sensitivity limits were determined for three different X-ray spectra: a monoenergetic source, a Gaussian source, and a conventional X-ray tube source. Scatter X-rays were minimized using a backscatter detector orientation (scatter direction > 110(°) to the primary X-ray beam). The optimized configuration simultaneously reduced the number of detectors and improved the image signal-to-noise ratio. The sensitivity of the optimized configuration was 10 μg/mL (10 pM) at 2 mGy dose with the mono-energetic source, which is an order of magnitude improvement over the unoptimized configuration (102 pM without the optimization). Similar improvements were seen with the Gaussian spectrum source and conventional X-ray tube source. The optimization improvements were predicted in the theoretical model and also demonstrated in simulations. The sensitivity of XFCT imaging can be enhanced by an order of magnitude with the data acquisition optimization, greatly enhancing the potential of this modality for future use in clinical molecular imaging.

Incoherent-scatter computed tomography with monochromatic synchrotron x ray: feasibility of multi-CT imaging system for simultaneous measurement-of fluorescent and incoherent scatter x rays

NASA Astrophysics Data System (ADS)

Yuasa, T.; Akiba, M.; Takeda, T.; Kazama, M.; Hoshino, A.; Watanabe, Y.; Hyodo, K.; Dilmanian, F. A.; Akatsuka, T.; Itai, Y.

1997-10-01

We describe a new system of incoherent scatter computed tomography (ISCT) using monochromatic synchrotron X rays, and we discuss its potential to be used in in vivo imaging for medical use. The system operates on the basis of computed tomography (CT) of the first generation. The reconstruction method for ISCT uses the least squares method with singular value decomposition. The research was carried out at the BLNE-5A bending magnet beam line of the Tristan Accumulation Ring in KEK, Japan. An acrylic cylindrical phantom of 20-mm diameter containing a cross-shaped channel was imaged. The channel was filled with a diluted iodine solution with a concentration of 200 /spl mu/gI/ml. Spectra obtained with the system's high purity germanium (HPGe) detector separated the incoherent X-ray line from the other notable peaks, i.e., the iK/sub /spl alpha// and K/sub /spl beta/1/ X-ray fluorescent lines and the coherent scattering peak. CT images were reconstructed from projections generated by integrating the counts In the energy window centering around the incoherent scattering peak and whose width was approximately 2 keV. The reconstruction routine employed an X-ray attenuation correction algorithm. The resulting image showed more homogeneity than one without the attenuation correction.

NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering

DOE PAGES

Allen, Andrew J.; Zhang, Fan; Kline, R. Joseph; ...

2017-03-07

The certification of a new standard reference material for small-angle scattering [NIST Standard Reference Material (SRM) 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering (SAXS)], based on glassy carbon, is presented. Creation of this SRM relies on the intrinsic primary calibration capabilities of the ultra-small-angle X-ray scattering technique. This article describes how the intensity calibration has been achieved and validated in the certified Q range, Q = 0.008–0.25 Å –1, together with the purpose, use and availability of the SRM. The intensity calibration afforded by this robust and stable SRM should be applicable universally to all SAXS instruments thatmore » employ a transmission measurement geometry, working with a wide range of X-ray energies or wavelengths. As a result, the validation of the SRM SAXS intensity calibration using small-angle neutron scattering (SANS) is discussed, together with the prospects for including SANS in a future renewal certification.« less

NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allen, Andrew J.; Zhang, Fan; Kline, R. Joseph

The certification of a new standard reference material for small-angle scattering [NIST Standard Reference Material (SRM) 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering (SAXS)], based on glassy carbon, is presented. Creation of this SRM relies on the intrinsic primary calibration capabilities of the ultra-small-angle X-ray scattering technique. This article describes how the intensity calibration has been achieved and validated in the certified Q range, Q = 0.008–0.25 Å –1, together with the purpose, use and availability of the SRM. The intensity calibration afforded by this robust and stable SRM should be applicable universally to all SAXS instruments thatmore » employ a transmission measurement geometry, working with a wide range of X-ray energies or wavelengths. As a result, the validation of the SRM SAXS intensity calibration using small-angle neutron scattering (SANS) is discussed, together with the prospects for including SANS in a future renewal certification.« less

NIST Standard Reference Material 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering.

PubMed

Allen, Andrew J; Zhang, Fan; Kline, R Joseph; Guthrie, William F; Ilavsky, Jan

2017-04-01

The certification of a new standard reference material for small-angle scattering [NIST Standard Reference Material (SRM) 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering (SAXS)], based on glassy carbon, is presented. Creation of this SRM relies on the intrinsic primary calibration capabilities of the ultra-small-angle X-ray scattering technique. This article describes how the intensity calibration has been achieved and validated in the certified Q range, Q = 0.008-0.25 Å -1 , together with the purpose, use and availability of the SRM. The intensity calibration afforded by this robust and stable SRM should be applicable universally to all SAXS instruments that employ a transmission measurement geometry, working with a wide range of X-ray energies or wavelengths. The validation of the SRM SAXS intensity calibration using small-angle neutron scattering (SANS) is discussed, together with the prospects for including SANS in a future renewal certification.

The life science X-ray scattering beamline at NSLS-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

DiFabio, Jonathan; Yang, Lin; Chodankar, Shirish

We report the current development status of the High Brightness X-ray Scattering for Life Sciences (or Life Science X-ray Scattering, LiX) beamline at the NSLS-II facility of Brookhaven National Laboratory. This instrument will operate in the x-ray energy range of 2.1-18 keV, provide variable beam sizes from 1 micron to ~0.5 mm, and support user experiments in three scientific areas: (1) high-throughput solution scattering, in-line size exclusion chromatography and flow mixers-based time-resolved solution scattering of biological macro-molecules, (2) diffraction from single- and multi-layered lipid membranes, and (3) scattering-based scanning probe imaging of biological tissues. In order to satisfy the beammore » stability required for these experiments and to switch rapidly between different types of experiments, we have adopted a secondary source with refractive lenses for secondary focusing, a detector system consisting of three Pilatus detectors, and specialized experimental modules that can be quickly exchanged and each dedicated to a defined set of experiments. The construction of this beamline is on schedule for completion in September 2015. User experiments are expected to start in Spring 2016.« less

The life science X-ray scattering beamline at NSLS-II

DOE PAGES

DiFabio, Jonathan; Yang, Lin; Chodankar, Shirish; ...

2015-09-30

We report the current development status of the High Brightness X-ray Scattering for Life Sciences (or Life Science X-ray Scattering, LiX) beamline at the NSLS-II facility of Brookhaven National Laboratory. This instrument will operate in the x-ray energy range of 2.1-18 keV, provide variable beam sizes from 1 micron to ~0.5 mm, and support user experiments in three scientific areas: (1) high-throughput solution scattering, in-line size exclusion chromatography and flow mixers-based time-resolved solution scattering of biological macro-molecules, (2) diffraction from single- and multi-layered lipid membranes, and (3) scattering-based scanning probe imaging of biological tissues. In order to satisfy the beammore » stability required for these experiments and to switch rapidly between different types of experiments, we have adopted a secondary source with refractive lenses for secondary focusing, a detector system consisting of three Pilatus detectors, and specialized experimental modules that can be quickly exchanged and each dedicated to a defined set of experiments. The construction of this beamline is on schedule for completion in September 2015. User experiments are expected to start in Spring 2016.« less

The life science x-ray scattering beamline at NSLS-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

DiFabio, Jonathan; Chodankar, Shirish; Pjerov, Sal

We report the current development status of the High Brightness X-ray Scattering for Life Sciences (or Life Science X-ray Scattering, LiX) beamline at the NSLS-II facility of Brookhaven National Laboratory. This instrument will operate in the x-ray energy range of 2.1-18 keV, provide variable beam sizes from 1 micron to ∼0.5 mm, and support user experiments in three scientific areas: (1) high-throughput solution scattering, in-line size exclusion chromatography and flow mixers-based time-resolved solution scattering of biological macro-molecules, (2) diffraction from single- and multi-layered lipid membranes, and (3) scattering-based scanning probe imaging of biological tissues. In order to satisfy the beammore » stability required for these experiments and to switch rapidly between different types of experiments, we have adopted a secondary source with refractive lenses for secondary focusing, a detector system consisting of three Pilatus detectors, and specialized experimental modules that can be quickly exchanged and each dedicated to a defined set of experiments. The construction of this beamline is on schedule for completion in September 2015. User experiments are expected to start in Spring 2016.« less

Method and apparatus for molecular imaging using x-rays at resonance wavelengths

DOEpatents

Chapline, G.F. Jr.

Holographic x-ray images are produced representing the molecular structure of a microscopic object, such as a living cell, by directing a beam of coherent x-rays upon the object to produce scattering of the x-rays by the object, producing interference on a recording medium between the scattered x-rays from the object and unscattered coherent x-rays and thereby producing holograms on the recording surface, and establishing the wavelength of the coherent x-rays to correspond with a molecular resonance of a constituent of such object and thereby greatly improving the contrast, sensitivity and resolution of the holograms as representations of molecular structures involving such constituent. For example, the coherent x-rays may be adjusted to the molecular resonant absorption line of nitrogen at about 401.3 eV to produce holographic images featuring molecular structures involving nitrogen.

Method and apparatus for molecular imaging using X-rays at resonance wavelengths

DOEpatents

Chapline, Jr., George F.

1985-01-01

Holographic X-ray images are produced representing the molecular structure of a microscopic object, such as a living cell, by directing a beam of coherent X-rays upon the object to produce scattering of the X-rays by the object, producing interference on a recording medium between the scattered X-rays from the object and unscattered coherent X-rays and thereby producing holograms on the recording surface, and establishing the wavelength of the coherent X-rays to correspond with a molecular resonance of a constituent of such object and thereby greatly improving the contrast, sensitivity and resolution of the holograms as representations of molecular structures involving such constituent. For example, the coherent X-rays may be adjusted to the molecular resonant absorption line of nitrogen at about 401.3 eV to produce holographic images featuring molecular structures involving nitrogen.

TOPICAL REVIEW: Human soft tissue analysis using x-ray or gamma-ray techniques

NASA Astrophysics Data System (ADS)

Theodorakou, C.; Farquharson, M. J.

2008-06-01

This topical review is intended to describe the x-ray techniques used for human soft tissue analysis. X-ray techniques have been applied to human soft tissue characterization and interesting results have been presented over the last few decades. The motivation behind such studies is to provide improved patient outcome by using the data obtained to better understand a disease process and improve diagnosis. An overview of theoretical background as well as a complete set of references is presented. For each study, a brief summary of the methodology and results is given. The x-ray techniques include x-ray diffraction, x-ray fluorescence, Compton scattering, Compton to coherent scattering ratio and attenuation measurements. The soft tissues that have been classified using x-rays or gamma rays include brain, breast, colon, fat, kidney, liver, lung, muscle, prostate, skin, thyroid and uterus.

On the Absence of Non-thermal X-Ray Emission around Runaway O Stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toalá, J. A.; Oskinova, L. M.; Ignace, R.

Theoretical models predict that the compressed interstellar medium around runaway O stars can produce high-energy non-thermal diffuse emission, in particular, non-thermal X-ray and γ -ray emission. So far, detection of non-thermal X-ray emission was claimed for only one runaway star, AE Aur. We present a search for non-thermal diffuse X-ray emission from bow shocks using archived XMM-Newton observations for a clean sample of six well-determined runaway O stars. We find that none of these objects present diffuse X-ray emission associated with their bow shocks, similarly to previous X-ray studies toward ζ Oph and BD+43°3654. We carefully investigated multi-wavelength observations ofmore » AE Aur and could not confirm previous findings of non-thermal X-rays. We conclude that so far there is no clear evidence of non-thermal extended emission in bow shocks around runaway O stars.« less

HIREGS observations of the Galactic center and Galactic plane: Separation of the diffuse Galactic hard X-ray continuum from the point source spectra

NASA Technical Reports Server (NTRS)

Boggs, S. E.; Lin, R. P.; Coburn, W.; Feffer, P.; Pelling, R. M.; Schroeder, P.; Slassi-Sennou, S.

1997-01-01

The balloon-borne high resolution gamma ray and X-ray germanium spectrometer (HIREGS) was used to observe the Galactic center and two positions along the Galactic plane from Antarctica in January 1995. For its flight, the collimators were configured to measure the Galactic diffuse hard X-ray continuum between 20 and 200 keV by directly measuring the point source contributions to the wide field of view flux for subtraction. The hard X-ray spectra of GX 1+4 and GRO J1655-40 were measured with the diffuse continuum subtracted off. The analysis technique for source separation is discussed and the preliminary separated spectra for these point sources and the Galactic diffuse emission are presented.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szlachetko, J.; Institute of Physics, Jan Kochanowski University, 25-406 Kielce; Nachtegaal, M.

2012-10-15

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

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

NASA Astrophysics Data System (ADS)

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

2013-02-01

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

Effects of interstellar dust scattering on the X-ray eclipses of the LMXB AX J1745.6-2901 in the Galactic Centre

NASA Astrophysics Data System (ADS)

Jin, Chichuan; Ponti, Gabriele; Haberl, Frank; Smith, Randall; Valencic, Lynne

2018-07-01

AX J1745.6-2901 is an eclipsing low-mass X-ray binary in the Galactic Centre (GC). It shows significant X-ray excess emission during the eclipse phase, and its eclipse light curve shows an asymmetric shape. We use archival XMM-Newton and Chandra observations to study the origin of these peculiar X-ray eclipsing phenomena. We find that the shape of the observed X-ray eclipse light curves depends on both photon energy and the shape of the source extraction region, and also shows differences between the two instruments. By performing detailed simulations for the time-dependent X-ray dust-scattering halo, as well as directly modelling the observed eclipse and non-eclipse halo profiles of AX J1745.6-2901, we obtained solid evidence that its peculiar eclipse phenomena are indeed caused by the X-ray dust scattering in multiple foreground dust layers along the line of sight (LOS). The apparent dependence on the instruments is caused by different instrumental point spread functions. Our results can be used to assess the influence of dust-scattering in other eclipsing X-ray sources, and raise the importance of considering the timing effects of dust-scattering halo when studying the variability of other X-ray sources in the GC, such as Sgr A⋆. Moreover, our study of halo eclipse reinforces the existence of a dust layer local to AX J1745.6-2901 as reported by Jin et al. (2017), as well as identifying another dust layer within a few hundred parsecs to the Earth, containing up to several tens of percent LOS dust, which is likely to be associated with the molecular clouds in the Solar neighbourhood. The remaining LOS dust is likely to be associated with the molecular clouds located in the Galactic disc in-between.

Novel micro-reactor flow cell for investigation of model catalysts using in situ grazing-incidence X-ray scattering

PubMed Central

Kehres, Jan; Pedersen, Thomas; Masini, Federico; Andreasen, Jens Wenzel; Nielsen, Martin Meedom; Diaz, Ana; Nielsen, Jane Hvolbæk; Hansen, Ole

2016-01-01

The design, fabrication and performance of a novel and highly sensitive micro-reactor device for performing in situ grazing-incidence X-ray scattering experiments of model catalyst systems is presented. The design of the reaction chamber, etched in silicon on insulator (SIO), permits grazing-incidence small-angle X-ray scattering (GISAXS) in transmission through 10 µm-thick entrance and exit windows by using micro-focused beams. An additional thinning of the Pyrex glass reactor lid allows simultaneous acquisition of the grazing-incidence wide-angle X-ray scattering (GIWAXS). In situ experiments at synchrotron facilities are performed utilizing the micro-reactor and a designed transportable gas feed and analysis system. The feasibility of simultaneous in situ GISAXS/GIWAXS experiments in the novel micro-reactor flow cell was confirmed with CO oxidation over mass-selected Ru nanoparticles. PMID:26917133

THE IMPACT OF ACCURATE EXTINCTION MEASUREMENTS FOR X-RAY SPECTRAL MODELS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Randall K.; Valencic, Lynne A.; Corrales, Lia, E-mail: lynne.a.valencic@nasa.gov

Interstellar extinction includes both absorption and scattering of photons from interstellar gas and dust grains, and it has the effect of altering a source's spectrum and its total observed intensity. However, while multiple absorption models exist, there are no useful scattering models in standard X-ray spectrum fitting tools, such as XSPEC. Nonetheless, X-ray halos, created by scattering from dust grains, are detected around even moderately absorbed sources, and the impact on an observed source spectrum can be significant, if modest, compared to direct absorption. By convolving the scattering cross section with dust models, we have created a spectral model asmore » a function of energy, type of dust, and extraction region that can be used with models of direct absorption. This will ensure that the extinction model is consistent and enable direct connections to be made between a source's X-ray spectral fits and its UV/optical extinction.« less

High resolution x-ray Thomson scattering measurements from cryogenic hydrogen jets using the linac coherent light source

DOE PAGES

Fletcher, L. B.; Zastrau, U.; Galtier, E.; ...

2016-08-15

Here, we present the first spectrally resolved measurements of x-rays scattered from cryogenic hydrogen jets in the single photon counting limit. The 120 Hz capabilities of the LCLS, together with a novel hydrogen jet design [J. B. Kim et al., Rev. Sci. Instrum. (these proceedings)], allow for the ability to record a near background free spectrum. Such high-dynamic-range x-ray scattering measurements enable a platform to study ultra-fast, laser-driven, heating dynamics of hydrogen plasmas. This measurement has been achieved using two highly annealed pyrolytic graphite crystal spectrometers to spectrally resolve 5.5 keV x-rays elastically and inelastically scattered from cryogenic hydrogen andmore » focused on Cornell-SLAC pixel array detectors [S. Herrmann et al., Nucl. Instrum. Methods Phys. Res., Sect. A 718, 550 (2013)].« less

Thermally activated rotational disorder in CaMoO 4 nanocrystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Culver, Sean P.; Brutchey, Richard L.

2016-04-12

In this study, a dual-space approach, combining Rietveld and pair distribution function (PDF) analyses, has been applied to temperature-dependent synchrotron X-ray total scattering data collected on vapor diffusion sol–gel derived CaMoO 4 nanocrystals. A sharp transition in Ca–O bond distances in the range of 151–163 K was identified by PDF analysis, which is attributed to the thermal activation of rotational disorder associated with the rigid MoO 4 tetrahedra.

Interactions that know no boundaries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wall, Michael E.

Deviations from an ideal crystal lead to diffuse scattering (DS) intensity, both between and beneath the Bragg peaks in diffraction patterns (Guinier, 1963). First characterized using simple ionic crystals in early studies of X-ray diffraction (Lonsdale, 1942), DS has a rich history (Welberry & Weber, 2016) and is a well established technique in smallmolecule crystallography (Welberry, 2004). DS studies in macromolecular crystallography began more recently (Phillips et al., 1980) and now the potential for obtaining information about protein motions is fueling the growing interest in DS (Meisburger et al., 2017).

Interactions that know no boundaries

DOE PAGES

Wall, Michael E.

2018-03-01

Deviations from an ideal crystal lead to diffuse scattering (DS) intensity, both between and beneath the Bragg peaks in diffraction patterns (Guinier, 1963). First characterized using simple ionic crystals in early studies of X-ray diffraction (Lonsdale, 1942), DS has a rich history (Welberry & Weber, 2016) and is a well established technique in smallmolecule crystallography (Welberry, 2004). DS studies in macromolecular crystallography began more recently (Phillips et al., 1980) and now the potential for obtaining information about protein motions is fueling the growing interest in DS (Meisburger et al., 2017).

Nonlinearity in the High-Electric-Field Piezoelectricity of Epitaxial BiFeO3 on SrTiO3

DTIC Science & Technology

2012-02-10

Nonlinearity in the high- electric -field piezoelectricity of epitaxial BiFeO3 on SrTiO3 Pice Chen,1 Rebecca J. Sichel-Tissot,1,a) Ji Young Jo,1,b...field linear response in electric fields higher than 150 MV/m. Time-resolved synchrotron x-ray microdiffraction reveals a low-field piezoelectric...decreases throughout the high- electric -field regime, accompanied by increased diffuse scattering, consistent with lattice softening lattice near a field

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

PubMed Central

Anfinrud, Philip

2010-01-01

We have developed a time-resolved x-ray scattering diffractometer capable of probing structural dynamics of proteins in solution with 100-ps time resolution. This diffractometer, developed on the ID14B BioCARS (Consortium for Advanced Radiation Sources) beamline at the Advanced Photon Source, records x-ray scattering snapshots over a broad range of q spanning 0.02–2.5 Å-1, thereby providing simultaneous coverage of the small-angle x-ray scattering (SAXS) and wide-angle x-ray scattering (WAXS) regions. To demonstrate its capabilities, we have tracked structural changes in myoglobin as it undergoes a photolysis-induced transition from its carbon monoxy form (MbCO) to its deoxy form (Mb). Though the differences between the MbCO and Mb crystal structures are small (rmsd < 0.2 Å), time-resolved x-ray scattering differences recorded over 8 decades of time from 100 ps to 10 ms are rich in structure, illustrating the sensitivity of this technique. A strong, negative-going feature in the SAXS region appears promptly and corresponds to a sudden > 22 Å3 volume expansion of the protein. The ensuing conformational relaxation causes the protein to contract to a volume ∼2 Å3 larger than MbCO within ∼10 ns. On the timescale for CO escape from the primary docking site, another change in the SAXS/WAXS fingerprint appears, demonstrating sensitivity to the location of the dissociated CO. Global analysis of the SAXS/WAXS patterns recovered time-independent scattering fingerprints for four intermediate states of Mb. These SAXS/WAXS fingerprints provide stringent constraints for putative models of conformational states and structural transitions between them. PMID:20406909

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

PubMed

Cho, Hyun Sun; Dashdorj, Naranbaatar; Schotte, Friedrich; Graber, Timothy; Henning, Robert; Anfinrud, Philip

2010-04-20

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

Total Scattering and Pair Distribution Function Analysis in Modelling Disorder in PZN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whitfield, Ross E.; Goossens, Darren J; Welberry, T. R.

2016-01-01

The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn 1/3Nb 2/3O 3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations inmore » the B-site—O separation distances and the fact that (110) Pb 2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (½ ½ ½), whereas it was not apparent in the PDF.« less

Time-dependent Models for Blazar Emission with the Second-order Fermi Acceleration

NASA Astrophysics Data System (ADS)

Asano, Katsuaki; Takahara, Fumio; Kusunose, Masaaki; Toma, Kenji; Kakuwa, Jun

2014-01-01

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations. The hard electron spectrum predicted by the Fermi-II process agrees with the hard photon spectrum of 1ES 1101-232. For other blazars that show softer spectra, the Fermi-II model requires radial evolution of the electron injection rate and/or diffusion coefficient in the outflow. Such evolutions can yield a curved electron spectrum, which can reproduce the synchrotron spectrum of Mrk 421 from the radio to the X-ray regime. The photon spectrum in the GeV energy range of Mrk 421 is hard to fit with a synchrotron self-Compton model. However, if we introduce an external radio photon field with a luminosity of 4.9 × 1038 erg s-1, GeV photons are successfully produced via inverse Compton scattering. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.

X-ray Study of the Electric Double Layer at the n-Hexane/Nanocolloidal Silica Interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tikhonov,A.

The spatial structure of the transition region between an insulator and an electrolyte solution was studied with x-ray scattering. The electron-density profile across the n-hexane/silica sol interface (solutions with 5, 7, and 12 nm colloidal particles) agrees with the theory of the electrical double layer and shows separation of positive and negative charges. The interface consists of three layers, i.e., a compact layer of Na{sup +}, a loose monolayer of nanocolloidal particles as part of a thick diffuse layer, and a low-density layer sandwiched between them. Its structure is described by a model in which the potential gradient at themore » interface reflects the difference in the potentials of 'image forces' between the cationic Na{sup +} and anionic nanoparticles and the specific adsorption of surface charge. The density of water in the large electric field ({approx}10{sup 9}-10{sup 10} V/m) of the transition region and the layering of silica in the diffuse layer is discussed.« less

Polymeric and Molecular Materials for Advanced Organic Electronics

DTIC Science & Technology

2014-10-20

x - ray reflectivity, grazing incidence x - ray scattering, cyclic voltam- metry...6). ix These materials are characterized by AFM, conducting AFM, XPS, x - ray reflectivity (XRR), standing wave x - ray reflectivity (SWXRR), x - ray ...radiation hard - ness measurements, and quantum chemical computation of dielectric constants. Remark- ably, for semiconductors as diverse

Transmission-geometry electrochemical cell for in-situ scattering and spectroscopy investigations

DOEpatents

Chupas, Peter J.; Chapman, Karena W.; Kurtz, Charles A.; Borkiewicz, Olaf J.; Wiaderek, Kamila Magdelena; Shyam, Badri

2015-05-05

The present invention relates to a test chamber that can be used to perform a variety of X-ray and neutron spectroscopy experiments including powder diffraction, small-angle scattering, X-ray absorption spectroscopy, and pair distribution functions, such chamber comprising a first electrode with an X-ray transparent window; a second electrode with an X-ray transparent window; a plurality of insulating gaskets providing a hermetic seal around the sample and preventing contact between said first and second electrodes; and an insulating housing into which the first electrode is secured.

Anomalous small-angle scattering as a way to solve the Babinet principle problem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boiko, M. E., E-mail: m.e.boiko@mail.ioffe.ru; Sharkov, M. D.; Boiko, A. M.

2013-12-15

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eckert, Sebastian; Norell, Jesper; Miedema, Piter S.

Here, the femtosecond excited-state dynamics following resonant photoexcitation enable the selective deformation of N-H and N-C chemical bonds in 2-thiopyridone in aqueous solution with optical or X-ray pulses. In combination with multiconfigurational quantum-chemical calculations, the orbital-specific electronic structure and its ultrafast dynamics accessed with resonant inelastic X-ray scattering at the N 1s level using synchrotron radiation and the soft X-ray free-electron laser LCLS provide direct evidence for this controlled photoinduced molecular deformation and its ultrashort timescale.

Ultrafast Independent N-H and N-C Bond Deformation Investigated with Resonant Inelastic X-Ray Scattering

DOE PAGES

Eckert, Sebastian; Norell, Jesper; Miedema, Piter S.; ...

2017-04-04

Here, the femtosecond excited-state dynamics following resonant photoexcitation enable the selective deformation of N-H and N-C chemical bonds in 2-thiopyridone in aqueous solution with optical or X-ray pulses. In combination with multiconfigurational quantum-chemical calculations, the orbital-specific electronic structure and its ultrafast dynamics accessed with resonant inelastic X-ray scattering at the N 1s level using synchrotron radiation and the soft X-ray free-electron laser LCLS provide direct evidence for this controlled photoinduced molecular deformation and its ultrashort timescale.

Anomalous small-angle scattering as a way to solve the Babinet principle problem

NASA Astrophysics Data System (ADS)

Boiko, M. E.; Sharkov, M. D.; Boiko, A. M.; Bobyl, A. V.

2013-12-01

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

The Born-again Planetary Nebula A78: An X-Ray Twin of A30

NASA Astrophysics Data System (ADS)

Toalá, J. A.; Guerrero, M. A.; Todt, H.; Hamann, W.-R.; Chu, Y.-H.; Gruendl, R. A.; Schönberner, D.; Oskinova, L. M.; Marquez-Lugo, R. A.; Fang, X.; Ramos-Larios, G.

2015-01-01

We present the XMM-Newton discovery of X-ray emission from the planetary nebula (PN) A78, the second born-again PN detected in X-rays apart from A30. These two PNe share similar spectral and morphological characteristics: they harbor diffuse soft X-ray emission associated with the interaction between the H-poor ejecta and the current fast stellar wind and a point-like source at the position of the central star (CSPN). We present the spectral analysis of the CSPN, using for the first time an NLTE code for expanding atmospheres that takes line blanketing into account for the UV and optical spectra. The wind abundances are used for the X-ray spectral analysis of the CSPN and the diffuse emission. The X-ray emission from the CSPN in A78 can be modeled by a single C VI emission line, while the X-ray emission from its diffuse component is better described by an optically thin plasma emission model with a temperature of kT = 0.088 keV (T ≈ 1.0 × 106 K). We estimate X-ray luminosities in the 0.2-2.0 keV energy band of L X, CSPN = (1.2 ± 0.3) × 1031 erg s-1 and L X, DIFF = (9.2 ± 2.3) × 1030 erg s-1 for the CSPN and diffuse components, respectively.

PREFACE: Exploring surfaces and buried interfaces of functional materials by advanced x-ray and neutron techniques Exploring surfaces and buried interfaces of functional materials by advanced x-ray and neutron techniques

NASA Astrophysics Data System (ADS)

Sakurai, Kenji

2010-12-01

This special issue is devoted to describing recent applications of x-ray and neutron scattering techniques to the exploration of surfaces and buried interfaces of various functional materials. Unlike many other surface-sensitive methods, these techniques do not require ultra high vacuum, and therefore, a variety of real and complicated surfaces fall within the scope of analysis. It must be particularly emphasized that the techniques are capable of seeing even buried function interfaces as well as the surface. Furthermore, the information, which ranges from the atomic to mesoscopic scale, is highly quantitative and reproducible. The non-destructive nature of the techniques is another important advantage of using x-rays and neutrons, when compared with other atomic-scale analyses. This ensures that the same specimen can be measured by other techniques. Such features are fairly attractive when exploring multilayered materials with nanostructures (dots, tubes, wires, etc), which are finding applications in electronic, magnetic, optical and other devices. The Japan Applied Physics Society has established a group to develop the research field of studying buried function interfaces with x-rays and neutrons. As the methods can be applied to almost all types of materials, from semiconductor and electronic devices to soft materials, participants have fairly different backgrounds but share a common interest in state-of-the-art x-ray and neutron techniques and sophisticated applications. A series of workshops has been organized almost every year since 2001. Some international interactions have been continued intensively, although the community is part of a Japanese society. This special issue does not report the proceedings of the recent workshop, although all the authors are in some way involved in the activities of the above society. Initially, we intended to collect quite long overview papers, including the authors' latest and most important original results, as well as updates on recent progress and global trends in the field. We planned to cover quite a wide area of surface and buried interface science with x-rays and neutrons. Following a great deal of discussion during the editing process, we have decided to change direction. As we intend to publish similar special issues on a frequent basis, we will not insist on editing this issue as systematic and complete collections of research. Many authors decided to write an ordinary research paper rather than an article including systematic accounts. Due to this change in policy, some authors declined to contribute, and the number of papers is now just 12. However, readers will find that the special issue gives an interesting collection of new original research in surface and buried interface studies with x-rays and neutrons. The 12 papers cover the following research topics: (1) polymer analysis by diffuse scattering; (2) discussion of the electrochemical solid--liquid interface by synchrotron x-ray diffraction; (3) analysis of capped nanodots by grazing incidence small-angle x-ray scattering (GISAXS); (4) discussion of the strain distribution in silicon by high-resolution x-ray diffraction; (5) study of mesoporous structures by a combination of x-ray reflectivity and GISAXS; (6) discussion of energy-dispersive x-ray reflectometry and its applications; (7) neutron reflectivity studies on hydrogen terminated silicon interface; (8) the fabrication and performance of a special mirror for water windows; (9) depth selective analysis by total-reflection x-ray diffraction; (10) nanoparticle thin films prepared by a gas deposition technique; (11) discussion of crystal truncation rod (CTR) scattering of semiconductor nanostructures; (12) magnetic structure analysis of thin films by polarized neutron reflectivity. While not discussed in the present special issue, x-ray and neutron techniques have made great progress. The most important steps forward have been in 2D/3D real-space imaging, and realtime measurement. Advances in such technologies are bringing with them new opportunities in surface and buried interface science. In the not too distant future, we will publish a special issue or a book detailing such progress. Exploring surfaces and buried interfaces of functional materials by advanced x-ray and neutron techniques contents Lateral uniformity in chemical composition along a buried reaction front in polymers using off-specular reflectivity Kristopher A Lavery, Vivek M Prabhu, Sushil Satija and Wen-li Wu Orientation dependence of Pd growth on Au electrode surfaces M Takahasi, K Tamura, J Mizuki, T Kondo and K Uosaki A grazing incidence small-angle x-ray scattering analysis on capped Ge nanodots in layer structures Hiroshi Okuda, Masayuki Kato, Keiji Kuno, Shojiro Ochiai, Noritaka Usami, Kazuo Nakajima and Osami Sakata High resolution grazing-incidence in-plane x-ray diffraction for measuring the strain of a Si thin layer Kazuhiko Omote X-ray analysis of mesoporous silica thin films templated by Brij58 surfactant S Fall, M Kulij and A Gibaud Review of the applications of x-ray refraction and the x-ray waveguide phenomenon to estimation of film structures Kouichi Hayashi Epitaxial growth of largely mismatched crystals on H-terminated Si(111) surfaces Hidehito Asaoka Novel TiO2/ZnO multilayer mirrors at 'water-window' wavelengths fabricated by atomic layer epitaxy H Kumagai, Y Tanaka, M Murata, Y Masuda and T Shinagawa Depth-selective structural analysis of thin films using total-external-reflection x-ray diffraction Tomoaki Kawamura and Hiroo Omi Structures of Yb nanoparticle thin films grown by deposition in He and N2 gas atmospheres: AFM and x-ray reflectivity studies Martin Jerab and Kenji Sakurai Ga and As composition profiles in InP/GaInAs/InP heterostructures—x-ray CTR scattering and cross-sectional STM measurements Yoshikazu Takeda, Masao Tabuchi and Arao Nakamura Polarized neutron reflectivity study of a thermally treated MnIr/CoFe exchange bias system Naoki Awaji, Toyoo Miyajima, Shuuichi Doi and Kenji Nomura

Spatiotemporal Monte Carlo transport methods in x-ray semiconductor detectors: application to pulse-height spectroscopy in a-Se.

PubMed

Fang, Yuan; Badal, Andreu; Allec, Nicholas; Karim, Karim S; Badano, Aldo

2012-01-01

The authors describe a detailed Monte Carlo (MC) method for the coupled transport of ionizing particles and charge carriers in amorphous selenium (a-Se) semiconductor x-ray detectors, and model the effect of statistical variations on the detected signal. A detailed transport code was developed for modeling the signal formation process in semiconductor x-ray detectors. The charge transport routines include three-dimensional spatial and temporal models of electron-hole pair transport taking into account recombination and trapping. Many electron-hole pairs are created simultaneously in bursts from energy deposition events. Carrier transport processes include drift due to external field and Coulombic interactions, and diffusion due to Brownian motion. Pulse-height spectra (PHS) have been simulated with different transport conditions for a range of monoenergetic incident x-ray energies and mammography radiation beam qualities. Two methods for calculating Swank factors from simulated PHS are shown, one using the entire PHS distribution, and the other using the photopeak. The latter ignores contributions from Compton scattering and K-fluorescence. Comparisons differ by approximately 2% between experimental measurements and simulations. The a-Se x-ray detector PHS responses simulated in this work include three-dimensional spatial and temporal transport of electron-hole pairs. These PHS were used to calculate the Swank factor and compare it with experimental measurements. The Swank factor was shown to be a function of x-ray energy and applied electric field. Trapping and recombination models are all shown to affect the Swank factor.

Hybrid deterministic-stochastic modeling of x-ray beam bowtie filter scatter on a CT system.

PubMed

Liu, Xin; Hsieh, Jiang

2015-01-01

Knowledge of scatter generated by bowtie filter (i.e. x-ray beam compensator) is crucial for providing artifact free images on the CT scanners. Our approach is to use a hybrid deterministic-stochastic simulation to estimate the scatter level generated by a bowtie filter made of a material with low atomic number. First, major components of CT systems, such as source, flat filter, bowtie filter, body phantom, are built into a 3D model. The scattered photon fluence and the primary transmitted photon fluence are simulated by MCNP - a Monte Carlo simulation toolkit. The rejection of scattered photon by the post patient collimator (anti-scatter grid) is simulated with an analytical formula. The biased sinogram is created by superimposing scatter signal generated by the simulation onto the primary x-ray beam signal. Finally, images with artifacts are reconstructed with the biased signal. The effect of anti-scatter grid height on scatter rejection are also discussed and demonstrated.

SMALL ANGLE SCATTERING OF X-RAYS BY PLASTICALLY DEFORMED SINGLE CRYSTALS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robinson, W.H.; Smoluchowski, R.

1959-05-01

The small-angle scattering of x rays from single crystals of magnesium plastically deformed by simple shear was measured in the angular range of 4' to 5 deg . The crystals were subjected to both unidirectional and cyclic shear stresses applied along the STAl 1 2-bar 0! direction. Thin slices of the deformed single crystals were prepared using strainfree cutting and polishing techniques. The thin slices had orientations such that the slip direction was either parallel or perpendicular to the incident x-ray beam in order to observe any anisotropy in the scattering that might be due to dislocations. It was foundmore » that those samples which contained deformation twins within the irradiated volume produced rather large scattered intensity. This scattered intensity is interpreted as being due to double Bragg scattering. The scattered intensity from other specimens was attributed to surface scattering. No evidence for small angle scattering by dislocations was found. (auth)« less

In Situ Neutron Diffraction of Rare-Earth Phosphate Proton Conductors Sr/Ca-doped LaPO4 at Elevated Temperatures

NASA Astrophysics Data System (ADS)

Al-Wahish, Amal; Al-Binni, Usama; Bridges, C. A.; Huq, A.; Bi, Z.; Paranthaman, M. P.; Tang, S.; Kaiser, H.; Mandrus, D.

Acceptor-doped lanthanum orthophosphates are potential candidate electrolytes for proton ceramic fuel cells. We combined neutron powder diffraction (NPD) at elevated temperatures up to 800° C , X-ray powder diffraction (XRD) and scanning electron microscopy (SEM) to investigate the crystal structure, defect structure, thermal stability and surface topography. NPD shows an average bond length distortion in the hydrated samples. We employed Quasi-Elastic Neutron Scattering (QENS) and electrochemical impedance spectroscopy (EIS) to study the proton dynamics of the rare-earth phosphate proton conductors 4.2% Sr/Ca-doped LaPO4. We determined the bulk diffusion and the self-diffusion coefficients. Our results show that QENS and EIS are probing fundamentally different proton diffusion processes. Supported by the U.S. Department of Energy.

The Suzaku Observation of the Nucleus of theRadio-Loud Active Galaxy Centaurus A: Constraints on Abundances of the Accreting Material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Markowitz, A.; Takahashi, T.; Watanabe, S.

2007-06-27

A Suzaku observation of the nucleus of the radio-loud AGN Centaurus A in 2005 has yielded a broadband spectrum spanning 0.3 to 250 keV. The net exposure times after screening were: 70 ks per X-ray Imaging Spectrometer (XIS) camera, 60.8 ks for the Hard X-ray Detector (HXD) PIN, and 17.1 ks for the HXD-GSO. The hard X-rays are fit by two power-laws of the same slope, absorbed by columns of 1.5 and 7 x 10{sup 23} cm{sup -2} respectively. The spectrum is consistent with previous suggestions that the power-law components are X-ray emission from the sub-pc VLBI jet and frommore » Bondi accretion at the core, but it is also consistent with a partial covering interpretation. The soft band is dominated by thermal emission from the diffuse plasma and is fit well by a two-temperature vapec model, plus a third power-law component to account for scattered nuclear emission, jet emission, and emission from X-ray Binaries and other point sources. Narrow fluorescent emission lines from Fe, Si, S, Ar, Ca and Ni are detected. The Fe K{alpha} line width yields a 200 light-day lower limit on the distance from the black hole to the line-emitting gas. Fe, Ca, and S K-shell absorption edges are detected. Elemental abundances are constrained via absorption edge depths and strengths of the fluorescent and diffuse plasma emission lines. The high metallicity ([Fe/H]=+0.1) of the circumnuclear material suggests that it could not have originated in the relatively metal-poor outer halo unless enrichment by local star formation has occurred. Relative abundances are consistent with enrichment from Type II and Ia supernovae.« less

X-Ray Form Factor, Attenuation and Scattering Tables

National Institute of Standards and Technology Data Gateway

SRD 66 X-Ray Form Factor, Attenuation and Scattering Tables (Web, free access)   This database collects tables and graphs of the form factors, the photoabsorption cross section, and the total attenuation coefficient for any element (Z <= 92).

Consequences of using nonlinear particle trajectories to compute spatial diffusion coefficients. [for cosmic ray propagation in interstellar and interplanetary space

NASA Technical Reports Server (NTRS)

Goldstein, M. L.

1977-01-01

In a study of cosmic ray propagation in interstellar and interplanetary space, a perturbed orbit resonant scattering theory for pitch angle diffusion in a slab model of magnetostatic turbulence is slightly generalized and used to compute the diffusion coefficient for spatial propagation parallel to the mean magnetic field. This diffusion coefficient has been useful for describing the solar modulation of the galactic cosmic rays, and for explaining the diffusive phase in solar flares in which the initial anisotropy of the particle distribution decays to isotropy.

Monte Carlo simulation of inverse geometry x-ray fluoroscopy using a modified MC-GPU framework

PubMed Central

Dunkerley, David A. P.; Tomkowiak, Michael T.; Slagowski, Jordan M.; McCabe, Bradley P.; Funk, Tobias; Speidel, Michael A.

2015-01-01

Scanning-Beam Digital X-ray (SBDX) is a technology for low-dose fluoroscopy that employs inverse geometry x-ray beam scanning. To assist with rapid modeling of inverse geometry x-ray systems, we have developed a Monte Carlo (MC) simulation tool based on the MC-GPU framework. MC-GPU version 1.3 was modified to implement a 2D array of focal spot positions on a plane, with individually adjustable x-ray outputs, each producing a narrow x-ray beam directed toward a stationary photon-counting detector array. Geometric accuracy and blurring behavior in tomosynthesis reconstructions were evaluated from simulated images of a 3D arrangement of spheres. The artifact spread function from simulation agreed with experiment to within 1.6% (rRMSD). Detected x-ray scatter fraction was simulated for two SBDX detector geometries and compared to experiments. For the current SBDX prototype (10.6 cm wide by 5.3 cm tall detector), x-ray scatter fraction measured 2.8–6.4% (18.6–31.5 cm acrylic, 100 kV), versus 2.1–4.5% in MC simulation. Experimental trends in scatter versus detector size and phantom thickness were observed in simulation. For dose evaluation, an anthropomorphic phantom was imaged using regular and regional adaptive exposure (RAE) scanning. The reduction in kerma-area-product resulting from RAE scanning was 45% in radiochromic film measurements, versus 46% in simulation. The integral kerma calculated from TLD measurement points within the phantom was 57% lower when using RAE, versus 61% lower in simulation. This MC tool may be used to estimate tomographic blur, detected scatter, and dose distributions when developing inverse geometry x-ray systems. PMID:26113765

Monte Carlo simulation of inverse geometry x-ray fluoroscopy using a modified MC-GPU framework.

PubMed

Dunkerley, David A P; Tomkowiak, Michael T; Slagowski, Jordan M; McCabe, Bradley P; Funk, Tobias; Speidel, Michael A

2015-02-21

Scanning-Beam Digital X-ray (SBDX) is a technology for low-dose fluoroscopy that employs inverse geometry x-ray beam scanning. To assist with rapid modeling of inverse geometry x-ray systems, we have developed a Monte Carlo (MC) simulation tool based on the MC-GPU framework. MC-GPU version 1.3 was modified to implement a 2D array of focal spot positions on a plane, with individually adjustable x-ray outputs, each producing a narrow x-ray beam directed toward a stationary photon-counting detector array. Geometric accuracy and blurring behavior in tomosynthesis reconstructions were evaluated from simulated images of a 3D arrangement of spheres. The artifact spread function from simulation agreed with experiment to within 1.6% (rRMSD). Detected x-ray scatter fraction was simulated for two SBDX detector geometries and compared to experiments. For the current SBDX prototype (10.6 cm wide by 5.3 cm tall detector), x-ray scatter fraction measured 2.8-6.4% (18.6-31.5 cm acrylic, 100 kV), versus 2.1-4.5% in MC simulation. Experimental trends in scatter versus detector size and phantom thickness were observed in simulation. For dose evaluation, an anthropomorphic phantom was imaged using regular and regional adaptive exposure (RAE) scanning. The reduction in kerma-area-product resulting from RAE scanning was 45% in radiochromic film measurements, versus 46% in simulation. The integral kerma calculated from TLD measurement points within the phantom was 57% lower when using RAE, versus 61% lower in simulation. This MC tool may be used to estimate tomographic blur, detected scatter, and dose distributions when developing inverse geometry x-ray systems.

Incoherent Diffractive Imaging via Intensity Correlations of Hard X Rays

NASA Astrophysics Data System (ADS)

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

2017-08-01

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

Quantitative X-ray mapping, scatter diagrams and the generation of correction maps to obtain more information about your material

NASA Astrophysics Data System (ADS)

Wuhrer, R.; Moran, K.

2014-03-01

Quantitative X-ray mapping with silicon drift detectors and multi-EDS detector systems have become an invaluable analysis technique and one of the most useful methods of X-ray microanalysis today. The time to perform an X-ray map has reduced considerably with the ability to map minor and trace elements very accurately due to the larger detector area and higher count rate detectors. Live X-ray imaging can now be performed with a significant amount of data collected in a matter of minutes. A great deal of information can be obtained from X-ray maps. This includes; elemental relationship or scatter diagram creation, elemental ratio mapping, chemical phase mapping (CPM) and quantitative X-ray maps. In obtaining quantitative x-ray maps, we are able to easily generate atomic number (Z), absorption (A), fluorescence (F), theoretical back scatter coefficient (η), and quantitative total maps from each pixel in the image. This allows us to generate an image corresponding to each factor (for each element present). These images allow the user to predict and verify where they are likely to have problems in our images, and are especially helpful to look at possible interface artefacts. The post-processing techniques to improve the quantitation of X-ray map data and the development of post processing techniques for improved characterisation are covered in this paper.

Small-angle x-ray scattering investigations of extrudates

NASA Astrophysics Data System (ADS)

Pikus, Stanislaw; Jamroz, Jerzy

1997-02-01

The small-angle X-ray scattering investigations of the extrudes are presented. The investigations of the different samples of starch by means of the SAXS indicate the new possibilities for using this method for extrudates examination. Results obtained by SAXS method of close dependance between intensity SAXS scattering and characteristic parameters of the extrudates were shown.

The Chandra planetary nebula survey (CHANPLANS). II. X-ray emission from compact planetary nebulae

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freeman, M.; Kastner, J. H.; Montez, R. Jr.

2014-10-20

We present results from the most recent set of observations obtained as part of the Chandra X-ray observatory Planetary Nebula Survey (CHANPLANS), the first comprehensive X-ray survey of planetary nebulae (PNe) in the solar neighborhood (i.e., within ∼1.5 kpc of the Sun). The survey is designed to place constraints on the frequency of appearance and range of X-ray spectral characteristics of X-ray-emitting PN central stars and the evolutionary timescales of wind-shock-heated bubbles within PNe. CHANPLANS began with a combined Cycle 12 and archive Chandra survey of 35 PNe. CHANPLANS continued via a Chandra Cycle 14 Large Program which targeted allmore » (24) remaining known compact (R {sub neb} ≲ 0.4 pc), young PNe that lie within ∼1.5 kpc. Results from these Cycle 14 observations include first-time X-ray detections of hot bubbles within NGC 1501, 3918, 6153, and 6369, and point sources in HbDs 1, NGC 6337, and Sp 1. The addition of the Cycle 14 results brings the overall CHANPLANS diffuse X-ray detection rate to ∼27% and the point source detection rate to ∼36%. It has become clearer that diffuse X-ray emission is associated with young (≲ 5 × 10{sup 3} yr), and likewise compact (R {sub neb} ≲ 0.15 pc), PNe with closed structures and high central electron densities (n{sub e} ≳ 1000 cm{sup –3}), and is rarely associated with PNe that show H{sub 2} emission and/or pronounced butterfly structures. Hb 5 is one such exception of a PN with a butterfly structure that hosts diffuse X-ray emission. Additionally, two of the five new diffuse X-ray detections (NGC 1501 and NGC 6369) host [WR]-type central stars, supporting the hypothesis that PNe with central stars of [WR]-type are likely to display diffuse X-ray emission.« less

Looking for Dust-Scattering Light Echoes

NASA Astrophysics Data System (ADS)

Mills, Brianna; Heinz, Sebastian; Corrales, Lia

2018-01-01

Galactic X-ray transient sources such as neutron stars or black holes sometimes undergo an outburst in X-rays. Ring structures have been observed around three such sources, produced by the X-ray photons being scattered by interstellar dust grains along our line of sight. These dust-scattering light echoes have proven to be a useful tool for measuring and constraining Galactic distances, mapping the dust structure of the Milky Way, and determining the dust composition in the clouds producing the echo. Detectable light echoes require a sufficient quantity of dust along our line of sight, as well as bright, short-lived Galactic X-ray flares. Using data from the Monitor of All-Sky X-ray Image (MAXI) on-board the International Space Station, we ran a peak finding algorithm in Python to look for characteristic flare events. Each flare was characterized by its fluence, the integrated flux of the flare over time. We measured the distribution of flare fluences to show how many observably bright flares were recorded by MAXI. This work provides a parent set for dust echo searches in archival X-ray data and will inform observing strategies with current and future X-ray missions such as Athena and Lynx.

Hard-X-ray dark-field imaging using a grating interferometer.

PubMed

Pfeiffer, F; Bech, M; Bunk, O; Kraft, P; Eikenberry, E F; Brönnimann, Ch; Grünzweig, C; David, C

2008-02-01

Imaging with visible light today uses numerous contrast mechanisms, including bright- and dark-field contrast, phase-contrast schemes and confocal and fluorescence-based methods. X-ray imaging, on the other hand, has only recently seen the development of an analogous variety of contrast modalities. Although X-ray phase-contrast imaging could successfully be implemented at a relatively early stage with several techniques, dark-field imaging, or more generally scattering-based imaging, with hard X-rays and good signal-to-noise ratio, in practice still remains a challenging task even at highly brilliant synchrotron sources. In this letter, we report a new approach on the basis of a grating interferometer that can efficiently yield dark-field scatter images of high quality, even with conventional X-ray tube sources. Because the image contrast is formed through the mechanism of small-angle scattering, it provides complementary and otherwise inaccessible structural information about the specimen at the micrometre and submicrometre length scale. Our approach is fully compatible with conventional transmission radiography and a recently developed hard-X-ray phase-contrast imaging scheme. Applications to X-ray medical imaging, industrial non-destructive testing and security screening are discussed.

X-ray Intermolecular Structure Factor (XISF): separation of intra- and intermolecular interactions from total X-ray scattering data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mou, Q.; Benmore, C. J.; Yarger, J. L.

2015-06-01

XISF is a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained. XISF has been optimized for performance and can separate intermolecular structure factors of complex molecules.

X-ray Intermolecular Structure Factor ( XISF ): separation of intra- and intermolecular interactions from total X-ray scattering data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mou, Q.; Benmore, C. J.; Yarger, J. L.

2015-05-09

XISFis a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained.XISFhas been optimized for performance and can separate intermolecular structure factors of complex molecules.

Pretransitional diffuse neutron scattering in the mixed perovskite relaxor K1-xLixTaO3

NASA Astrophysics Data System (ADS)

Yong, Grace; Toulouse, Jean; Erwin, Ross; Shapiro, Stephen M.; Hennion, Bernard

2000-12-01

Several previous studies of K1-xLixTaO3 (KLT) have revealed the presence, above the structural transition, of polar nanoregions. Recently, these have been shown to play an essential role in the relaxor behavior of KLT. In order to characterize these regions, we have performed a neutron-scattering study of KLT crystals with different lithium concentrations, both above and below the critical concentration. This study reveals the existence of diffuse scattering that appears upon formation of these regions. The rodlike distribution of the diffuse scattering along cubic directions indicates that the regions form in the shape of discs in the various cubic planes. From the width of the diffuse scattering we extract values for a correlation length or size of the regions as a function of temperature. Finally, on the basis of the reciprocal lattice points around which the diffuse scattering is most intense, we conclude that the regions have tetragonal symmetry. The large increase in Bragg intensities at the first-order transition suggests that the polar regions freeze to form large structural domains and the transition is triggered by the percolation of strain fields through the crystals.

The Earth's core composition from high pressure density measurements of liquid iron alloys

NASA Astrophysics Data System (ADS)

Morard, G.; Siebert, J.; Andrault, D.; Guignot, N.; Garbarino, G.; Guyot, F.; Antonangeli, D.

2013-07-01

High-pressure, high-temperature in situ X-ray diffraction has been measured in liquid iron alloys (Fe-5 wt% Ni-12 wt% S and Fe-5 wt% Ni-15 wt% Si) up to 94 GPa and 3200 K in laser-heated diamond anvil cells. From the analysis of the X-ray diffuse scattering signal of the metallic liquids, we determined density and bulk modulus of the two liquid alloys. Comparison with a reference Earth model indicates that a core composition containing 6% of sulfur and 2% of silicon by weight would best match the geophysical data. Models with 2.5% of sulfur and 4-5% of silicon are still consistent with geophysical constraints whereas silicon only compositions are not. These results suggest only moderate depletion of sulfur in the bulk Earth.

Perils at the heart of the Milky Way: Systematic effects for studying low-luminosity accretion onto Sgr A*

NASA Astrophysics Data System (ADS)

Corrales, Lia; Mon, Brayden; Haggard, Daryl; Baganoff, Frederick K.; Garmire, Gordon; Degenaar, Nathalie; Reynolds, Mark

2017-08-01

The supermassive black hole at the center of our galaxy, Sgr A*, is surprisingly under-luminous. This problem has motivated a host of theoretical models to explain low-level radiatively inefficient accretion flows onto compact objects. We discuss how the Galactic Center sight line, which is optically thick to the scattering of soft X-rays (tau ~ 5), affects high resolution studies of the accretion flow around Sgr A*. X-ray light from compact objects in the dense GC environment is scattered by foreground dust, producing scattering echoes that are time delayed relative to the X-ray source's light curve. We discuss the scattering halo of SWIFT J174540.7-290015, which underwent the brightest X-ray outburst within 30’' of Sgr A*. Preliminary fits to the scattering halo suggest that a small amount of foreground dust, within 250 pc of the GC, affects the X-ray surface brightness profile within 10’' of any GC point source. The associated time delay is on the order of several hours, which is important for understanding the quiescent accretion flow of Sgr A*. We take advantage of the Chandra Galactic Center XVP dataset to explore the effect of the interstellar medium on the inferred characteristics of Sgr A*.

X-ray echo spectroscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Shvyd'ko, Yuri V.

2016-09-01

X-ray echo spectroscopy, a counterpart of neutron spin-echo, was recently introduced [1] to overcome limitations in spectral resolution and weak signals of the traditional inelastic x-ray scattering (IXS) probes. An image of a point-like x-ray source is defocused by a dispersing system comprised of asymmetrically cut specially arranged Bragg diffracting crystals. The defocused image is refocused into a point (echo) in a time-reversal dispersing system. If the defocused beam is inelastically scattered from a sample, the echo signal acquires a spatial distribution, which is a map of the inelastic scattering spectrum. The spectral resolution of the echo spectroscopy does not rely on the monochromaticity of the x-rays, ensuring strong signals along with a very high spectral resolution. Particular schemes of x-ray echo spectrometers for 0.1-meV and 0.02-meV ultra-high-resolution IXS applications (resolving power > 10^8) with broadband 5-13 meV dispersing systems will be presented featuring more than 1000-fold signal enhancement. The technique is general, applicable in different photon frequency domains. [1.] Yu. Shvyd'ko, Phys. Rev. Lett. 116, accepted (2016), arXiv:1511.01526.

Experimental characterization of an ultra-fast Thomson scattering x-ray source with three-dimensional time and frequency-domain analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuba, J; Slaughter, D R; Fittinghoff, D N

We present a detailed comparison of the measured characteristics of Thomson backscattered x-rays produced at the PLEIADES (Picosecond Laser-Electron Interaction for the Dynamic Evaluation of Structures) facility at Lawrence Livermore National Laboratory to predicted results from a newly developed, fully three-dimensional time and frequency-domain code. Based on the relativistic differential cross section, this code has the capability to calculate time and space dependent spectra of the x-ray photons produced from linear Thomson scattering for both bandwidth-limited and chirped incident laser pulses. Spectral broadening of the scattered x-ray pulse resulting from the incident laser bandwidth, perpendicular wave vector components in themore » laser focus, and the transverse and longitudinal phase space of the electron beam are included. Electron beam energy, energy spread, and transverse phase space measurements of the electron beam at the interaction point are presented, and the corresponding predicted x-ray characteristics are determined. In addition, time-integrated measurements of the x-rays produced from the interaction are presented, and shown to agree well with the simulations.« less

Oxidative Corrosion of the UO 2 (001) Surface by Nonclassical Diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stubbs, Joanne E.; Biwer, Craig A.; Chaka, Anne M.

Uranium oxide is central to every stage of the nuclear fuel cycle, from mining through fuel fabrication and use, to waste disposal and environmental cleanup. Its chemical and mechanical stability are intricately linked to the concentration of interstitial O atoms within the structure and the oxidation state of U. We have previously shown that during corrosion of the UO2 (111) surface under either 1 atm O2 gas or oxygenated water at room temperature, oxygen interstitials diffuse into the substrate to form a superlattice with three-layer periodicity. In the current study, we present results from surface x-ray scattering that reveal themore » structure of the oxygen diffusion profile beneath the (001) surface. The first few layers below the surface oscillate strongly in their surface-normal lattice parameters, suggesting preferential interstitial occupation of every other layer below the surface, which is geometrically consistent with the interstitial network that forms below the oxidized (111) surface. Deeper layers are heavily contracted and indicate that the oxidation front penetrates ~52 Å below the (001) surface after 21 days of dry O2 gas exposure at ambient pressure and temperature. X-ray photoelectron spectroscopy indicates U is present as U(IV), U(V), and U(VI).« less

SU-E-I-44: Some Preliminary Analysis of Angular Distribution of X-Ray Scattered On Soft Tissues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganezer, K; Krmar, M; Cvejic, Z

2015-06-15

Purpose: The angular distribution of x-radiation scattered at small angles (up to 16 degrees) from several different animal soft tissue (skin, fat, muscle, retina, etc) were measured using standard equipment devoted to study of crystal structure which provides excellent geometry conditions of measurements. showed measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Methods: An x-ray scattering profilemore » usually consists of sharp diffraction peak; however some properties of the spatial profiles of scattered radiation as intensity, the peak position, height, area, FWHM, the ratio of peak heights, etc. Results: The data contained measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Measurements of different samples in the very preliminary phase showed that simple biological material used in study showed slightly different scattering pattern, especially at higher angles (around 10degrees). Intensity of radiation scattered from same tissue type is very dependent on water content and several more parameters. Conclusion: This preliminary study using animal soft tissues on the angular distributions of scattered x-rays suggests that angular distributions of X-rays scattered off of soft tissues might be useful in distinguishing healthy tissue from malignant soft tissue.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stöhr, J.; Scherz, A.

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

EBT-XD Radiochromic Film Sensitivity Calibrations Using Proton Beams from a Pelletron Accelerator

NASA Astrophysics Data System (ADS)

Stockler, Barak; Grun, Alexander; Brown, Gunnar; Klein, Matthew; Wood, Jacob; Cooper, Anthony; Ward, Ryan; Freeman, Charlie; Padalino, Stephen; Regan, S. P.; Sangster, T. C.

2017-10-01

Radiochromic film (RCF) is a transparent detector film that permanently changes color following exposure to ionizing radiation. RCF is used frequently in medical applications, but also has been used in a variety of high energy density physics diagnostics. RCF is convenient to use because it requires no chemical processing and can be scanned using commercially available document scanners. In this study, the sensitivity of Gafchromic™ EBT-XD RCF to protons and x-rays was measured. Proton beams produced by the SUNY Geneseo Pelletron accelerator were directed into an evacuated target chamber where they scattered off a thin gold foil. The scattered protons were incident on a sample of RCF which subtended a range of angles around the scattering center. A new analysis method, which relies on the variation in scattered proton fluence as a function of scattering angle in accordance with the Rutherford scattering law, is currently being developed to speed up the proton calibrations. Samples of RCF were also exposed to x-ray radiation using an X-RAD 160 x-ray irradiator, allowing the sensitivity of RCF to X-rays to be measured. This work was funded in part by a Grant from the DOE through the Laboratory for Laser Energetics as well as the NSF.

NUCLEAR X-RAY PROPERTIES OF THE PECULIAR RADIO-LOUD HIDDEN AGN 4C+29.30

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sobolewska, M. A.; Siemiginowska, Aneta; Migliori, G.

2012-10-20

We present results from a study of nuclear emission from a nearby radio galaxy, 4C+29.30, over a broad 0.5-200 keV X-ray band. This study used new XMM-Newton ({approx}17 ks) and Chandra ({approx}300 ks) data, and archival Swift/BAT data from the 58 month catalog. The hard (>2 keV) X-ray spectrum of 4C+29.30 can be decomposed into an intrinsic hard power law ({Gamma} {approx} 1.56) modified by a cold absorber with an intrinsic column density N {sub H,z} {approx} 5 Multiplication-Sign 10{sup 23} cm{sup -2}, and its reflection (|{Omega}/2{pi}| {approx} 0.3) from a neutral matter including a narrow iron K{alpha} emission linemore » at a rest-frame energy {approx}6.4 keV. The reflected component is less absorbed than the intrinsic one with an upper limit on the absorbing column of N {sup refl} {sub H,z} < 2.5 Multiplication-Sign 10{sup 22} cm{sup -2}. The X-ray spectrum varied between the XMM-Newton and Chandra observations. We show that a scenario invoking variations of the normalization of the power law is favored over a model with variable intrinsic column density. X-rays in the 0.5-2 keV band are dominated by diffuse emission modeled with a thermal bremsstrahlung component with temperature {approx}0.7 keV, and contain only a marginal contribution from the scattered power-law component. We hypothesize that 4C+29.30 belongs to a class of 'hidden' active galactic nuclei containing a geometrically thick torus. However, unlike the majority of hidden AGNs, 4C+29.30 is radio-loud. Correlations between the scattering fraction and Eddington luminosity ratio, and between black hole mass and stellar velocity dispersion, imply that 4C+29.30 hosts a black hole with {approx}10{sup 8} M {sub Sun} mass.« less

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

The Chandra M10l Megasecond: Diffuse Emission

NASA Technical Reports Server (NTRS)

Kuntz, K. D.; Snowden, S. L.

2009-01-01

Because MIOl is nearly face-on, it provides an excellent laboratory in which to study the distribution of X-ray emitting gas in a typical late-type spiral galaxy. We obtained a Chandra observation with a cumulative exposure of roughly 1 Ms to study the diffuse X-ray emission in MlOl. The bulk of the X-ray emission is correlated with the star formation traced by the FUV emission. The global FUV/Xray correlation is non-linear (the X-ray surface brightness is roughly proportional to the square root of the FUV surface brightness) and the small-scale correlation is poor, probably due to the delay between the FUV emission and the X-ray production ill star-forming regions. The X-ray emission contains only minor contributions from unresolved stars (approximates less than 3%), unresolved X-ray point sources (approximates less than 4%), and individual supernova remnants (approximates 3%). The global spectrum of the diffuse emission can be reasonably well fitted with a three component thermal model, but the fitted temperatures are not unique; many distributions of emission measure can produce the same temperatures when observed with the current CCD energy resolution. The spectrum of the diffuse emission depends on the environment; regions with higher X-ray surface brightnesses have relatively stronger hard components, but there is no significant evidence that the temperatures of the emitting components increase with surface brightness.

Simulation, Measurements and Image Processing for Capillary Optical Digital Mammography

DTIC Science & Technology

2000-07-01

is the length of the optic. For a point P on the film, scattered radiation could come from any direction in the solid angle Qpatient , which is the...optic p .’optic - N, = T + npatient (13) where Ns-optic is the number of scattered x rays with the optic, N, is the number of scattered x rays without

A novel method for resonant inelastic soft X-ray scattering via photoelectron spectroscopy detection

DOE PAGES

Dakovski, Georgi L.; Lin, Ming-Fu; Damiani, Daniel S.; ...

2017-10-05

A method for measuring resonant inelastic X-ray scattering based on the conversion of X-ray photons into photoelectrons is presented in this paper. The setup is compact, relies on commercially available detectors, and offers significant flexibility. Finally, this method is demonstrated at the Linac Coherent Light Source with ~0.5 eV resolution at the cobalt L 3-edge, with signal rates comparable with traditional grating spectrometers.

Transurethral Ultrasound Diffraction Tomography

DTIC Science & Technology

2007-03-01

the covariance matrix was derived. The covariance reduced to that of the X- ray CT under the assumptions of linear operator and real data.[5] The...the covariance matrix in the linear x- ray computed tomography is a special case of the inverse scattering matrix derived in this paper. The matrix was...is derived in Sec. IV, and its relation to that of the linear x- ray computed tomography appears in Sec. V. In Sec. VI, the inverse scattering

Pinhole-type two-dimensional ultra-small-angle X-ray scattering on the micrometer scale

PubMed Central

Kishimoto, Hiroyuki; Shinohara, Yuya; Suzuki, Yoshio; Takeuchi, Akihisa; Yagi, Naoto; Amemiya, Yoshiyuki

2014-01-01

A pinhole-type two-dimensional ultra-small-angle X-ray scattering set-up at a so-called medium-length beamline at SPring-8 is reported. A long sample-to-detector distance, 160.5 m, can be used at this beamline and a small-angle resolution of 0.25 µm−1 was thereby achieved at an X-ray energy of 8 keV. PMID:24365910

A Chandra High-Resolution X-ray Image of Centaurus A.

PubMed

Kraft; Forman; Jones; Kenter; Murray; Aldcroft; Elvis; Evans; Fabbiano; Isobe; Jerius; Karovska; Kim; Prestwich; Primini; Schwartz; Schreier; Vikhlinin

2000-03-01

We present first results from a Chandra X-Ray Observatory observation of the radio galaxy Centaurus A with the High-Resolution Camera. All previously reported major sources of X-ray emission including the bright nucleus, the jet, individual point sources, and diffuse emission are resolved or detected. The spatial resolution of this observation is better than 1&arcsec; in the center of the field of view and allows us to resolve X-ray features of this galaxy not previously seen. In particular, we resolve individual knots of emission in the inner jet and diffuse emission between the knots. All of the knots are diffuse at the 1&arcsec; level, and several exhibit complex spatial structure. We find the nucleus to be extended by a few tenths of an arcsecond. Our image also suggests the presence of an X-ray counterjet. Weak X-ray emission from the southwest radio lobe is also seen, and we detect 63 pointlike galactic sources (probably X-ray binaries and supernova remnants) above a luminosity limit of approximately 1.7x1037 ergs s-1.

Solid - solid and solid - liquid phase transitions of iron and iron alloys under laser shock compression

NASA Astrophysics Data System (ADS)

Harmand, M.; Krygier, A.; Appel, K.; Galtier, E.; Hartley, N.; Konopkova, Z.; Lee, H. J.; McBride, E. E.; Miyanishi, K.; Nagler, B.; Nemausat, R.; Vinci, T.; Zhu, D.; Ozaki, N.; Fiquet, G.

2017-12-01

An accurate knowledge of the properties of iron and iron alloys at high pressures and temperatures is crucial for understanding and modelling planetary interiors. While Earth-size and Super-Earth Exoplanets are being discovered in increasingly large numbers, access to detailed information on liquid properties, melting curves and even solid phases of iron and iron at the pressures and temperatures of their interiors is still strongly limited. In this context, XFEL sources coupled with high-energy lasers afford unique opportunities to measure microscopic structural properties at far extreme conditions. Also the achievable time resolution allows the shock history and phase transition mechanisms to be followed during laser compression, improving our understanding of the high pressure and high strain experiments. Here we present recent studies devoted to investigate the solid-solid and solid-liquid transition in laser-shocked iron and iron alloys (Fe-Si, Fe-C and Fe-O alloys) using X-ray diffraction and X-ray diffuse scattering. Experiment were performed at the MEC end-station of the LCLS facility at SLAC (USA). Detection of the diffuse scattering allowed the identification of the first liquid peak position along the Hugoniot, up to 4 Mbar. The time resolution shows ultrafast (between several tens and several hundreds of picoseconds) solid-solid and solid-liquid phase transitions. Future developments at XFEL facilities will enable detailed studies of the solid and liquid structures of iron and iron alloys as well as out-of-Hugoniot studies.

Soft X-ray production by photon scattering in pulsating binary neutron star sources

NASA Technical Reports Server (NTRS)

Bussard, R. W.; Meszaros, P.; Alexander, S.

1985-01-01

A new mechanism is proposed as a source of soft (less than 1 keV) radiation in binary pulsating X-ray sources, in the form of photon scattering which leaves the electron in an excited Landau level. In a plasma with parameters typical of such sources, the low-energy X-ray emissivity of this mechanism far exceeds that of bremsstrahlung. This copious source of soft photons is quite adequate to provide the seed photons needed to explain the power-law hard X-ray spectrum by inverse Comptonization on the hot electrons at the base of the accretion column.

Tunable X-ray source

DOEpatents

Boyce, James R [Williamsburg, VA

2011-02-08

A method for the production of X-ray bunches tunable in both time and energy level by generating multiple photon, X-ray, beams through the use of Thomson scattering. The method of the present invention simultaneously produces two X-ray pulses that are tunable in energy and/or time.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iwata, Hiromitsu, E-mail: h-iwa-ncu@nifty.com; Department of Radiology, Nagoya City University Graduate School of Medical Sciences, Nagoya; Ogino, Hiroyuki

Purpose: To determine the relative biological effectiveness (RBE), oxygen enhancement ratio (OER), and contribution of the indirect effect of spot scanning proton beams, passive scattering proton beams, or both in cultured cells in comparison with clinically used photons. Methods and Materials: The RBE of passive scattering proton beams at the center of the spread-out Bragg peak (SOBP) was determined from dose-survival curves in 4 cell lines using 6-MV X rays as controls. Survival of 2 cell lines after spot scanning and passive scattering proton irradiation was then compared. Biological effects at the distal end region of the SOBP were also investigated. Themore » OER of passive scattering proton beams and 6 MX X rays were investigated in 2 cell lines. The RBE and OER values were estimated at a 10% cell survival level. The maximum degree of protection of radiation effects by dimethyl sulfoxide was determined to estimate the contribution of the indirect effect against DNA damage. All experiments comparing protons and X rays were made under the same biological conditions. Results: The RBE values of passive scattering proton beams in the 4 cell lines examined were 1.01 to 1.22 (average, 1.14) and were almost identical to those of spot scanning beams. Biological effects increased at the distal end of the SOBP. In the 2 cell lines examined, the OER was 2.74 (95% confidence interval, 2.56-2.80) and 3.08 (2.84-3.11), respectively, for X rays, and 2.39 (2.38-2.43) and 2.72 (2.69-2.75), respectively, for protons (P<.05 for both cells between X rays and protons). The maximum degree of protection was significantly higher for X rays than for proton beams (P<.05). Conclusions: The RBE values of spot scanning and passive scattering proton beams were almost identical. The OER was lower for protons than for X rays. The lower contribution of the indirect effect may partly account for the lower OER of protons.« less

An XMM-Newton Study of 9SGR and the Lagoon Nebula

NASA Technical Reports Server (NTRS)

Rauw, G.; Blomme, R.; Waldron, W. L.; Naze, Y.; Harries, T. J.; Chapman, J. M.; Corcoran, M. F.; Detal, A.; Gosset, E.

2001-01-01

We report preliminary results of an XMM-Newton observation of the 04 V star 9 Sgr (= HD 164794). 9 Sgr is one of a few single OB stars that display a non-thermal radio emission attributed to synchrotron emission by relativistic electrons. Inverse Compton scattering of photospheric UV photons by these relativistic electrons is a priori expected to generate a non-thermal power-law tail in the X-ray spectrum. Our EPIC and RGS spectra of 9 Sgr suggest a more complex situation than expected from this 'simple' theoretical picture. Furthermore, soft-band EPIC images of the region around 9 Sgr reveal a number of point sources inside the Lagoon Nebula (M8). Most of these sources have optical counterparts inside the very young open cluster NGC 6530 and several X-ray sources are associated with low and intermediate mass pre-main sequence stars. Finally, we also detect (probably) diffuse X-ray emission from the Hourglass Region that might reveal a hot bubble blown by the stellar wind of Herschel 36, the ionizing star of the HG region.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murakami, Toshiya; Matsuda, Mitsuaki; Itoh, Chihiro, E-mail: citoh@sys.wakayama-u.ac.jp

We have found that a Raman scattering (RS) peak around 1870 cm{sup −1} was produced by the annealing of the X-ray irradiated film of single-walled carbon nanotubes (SWNTs) at 450 {sup o}C. The intensity of 1870-cm{sup −1} peak showed a maximum at the probe energy of 2.3 eV for the RS spectroscopy with various probe lasers. Both the peak position and the probe-energy dependence were almost identical to those of the one-dimensional carbon chains previously reported in multi-walled carbon nanotubes. Consequently, we concluded that the 1870-cm{sup −1} peak found in the present study is attributed to carbon chains. The formationmore » of carbon chains by the annealing at temperature lower than 500 {sup o}C is firstly reported by the present study. The carbon chains would be formed by aggregation of the interstitial carbons, which are formed as a counterpart of carbon vacancies by X-ray irradiation diffused on SWNT walls. The result indicates that the combination of X-ray irradiation and subsequent thermal annealing is a feasible tool for generating new nanostructures in SWNT.« less

HEAO-1 analysis of Low Energy Detectors (LED)

NASA Technical Reports Server (NTRS)

Nousek, John A.

1992-01-01

The activities at Penn State University are described. During the period Oct. 1990 to Dec. 1991 work on HEAO-1 analysis of the Low Energy Detectors (LED) concentrated on using the improved detector spectral simulation model and fitting diffuse x-ray background spectral data. Spectral fitting results, x-ray point sources, and diffuse x-ray sources are described.

Nanoscale femtosecond imaging of transient hot solid density plasmas with elemental and charge state sensitivity using resonant coherent diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kluge, T., E-mail: t.kluge@hzdr.de; Bussmann, M.; Huang, L. G., E-mail: lingen.huang@hzdr.de

Here, we propose to exploit the low energy bandwidth, small wavelength, and penetration power of ultrashort pulses from XFELs for resonant Small Angle Scattering (SAXS) on plasma structures in laser excited plasmas. Small angle scattering allows to detect nanoscale density fluctuations in forward scattering direction. Typically, the SAXS signal from laser excited plasmas is expected to be dominated by the free electron distribution. We propose that the ionic scattering signal becomes visible when the X-ray energy is in resonance with an electron transition between two bound states (resonant coherent X-ray diffraction). In this case, the scattering cross-section dramatically increases somore » that the signal of X-ray scattering from ions silhouettes against the free electron scattering background which allows to measure the opacity and derived quantities with high spatial and temporal resolution, being fundamentally limited only by the X-ray wavelength and timing. Deriving quantities such as ion spatial distribution, charge state distribution, and plasma temperature with such high spatial and temporal resolution will make a vast number of processes in shortpulse laser-solid interaction accessible for direct experimental observation, e.g., hole-boring and shock propagation, filamentation and instability dynamics, electron transport, heating, and ultrafast ionization dynamics.« less

The Role of Diffusion in the Transport of Energetic Electrons during Solar Flares

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bian, Nicolas H.; Kontar, Eduard P.; Emslie, A. Gordon, E-mail: nicolas.bian@glasgow.gla.ac.uk, E-mail: emslieg@wku.edu

2017-02-01

The transport of the energy contained in suprathermal electrons in solar flares plays a key role in our understanding of many aspects of flare physics, from the spatial distributions of hard X-ray emission and energy deposition in the ambient atmosphere to global energetics. Historically the transport of these particles has been largely treated through a deterministic approach, in which first-order secular energy loss to electrons in the ambient target is treated as the dominant effect, with second-order diffusive terms (in both energy and angle) generally being either treated as a small correction or even neglected. Here, we critically analyze thismore » approach, and we show that spatial diffusion through pitch-angle scattering necessarily plays a very significant role in the transport of electrons. We further show that a satisfactory treatment of the diffusion process requires consideration of non-local effects, so that the electron flux depends not just on the local gradient of the electron distribution function but on the value of this gradient within an extended region encompassing a significant fraction of a mean free path. Our analysis applies generally to pitch-angle scattering by a variety of mechanisms, from Coulomb collisions to turbulent scattering. We further show that the spatial transport of electrons along the magnetic field of a flaring loop can be modeled rather effectively as a Continuous Time Random Walk with velocity-dependent probability distribution functions of jump sizes and occurrences, both of which can be expressed in terms of the scattering mean free path.« less

X-ray Raman scattering from molecules and solids in the framework of the Mahan-Nozières-De Dominicis model

NASA Astrophysics Data System (ADS)

Privalov, Timofei; Gel'mukhanov, Faris; Ågren, Hans

2001-10-01

We have developed a formulation of resonant x-ray Raman scattering of molecules and solids based on the Mahan-Nozières-De Dominicis model. A key step in the formulation is given by a reduction of the Keldysh-Dyson equations for the Green's function to a set of linear algebraic equations. This gave way for a tractable scheme that can be used to analyze the resonant x-ray scattering in the whole time domain. The formalism is used to investigate the role of core-hole relaxation, interference, band filling, detuning, and size of the scattering target. Numerical applications are performed with a one-dimensional tight-binding model.

A comprehensive model for x-ray projection imaging system efficiency and image quality characterization in the presence of scattered radiation

NASA Astrophysics Data System (ADS)

Monnin, P.; Verdun, F. R.; Bosmans, H.; Rodríguez Pérez, S.; Marshall, N. W.

2017-07-01

This work proposes a method for assessing the detective quantum efficiency (DQE) of radiographic imaging systems that include both the x-ray detector and the antiscatter device. Cascaded linear analysis of the antiscatter device efficiency (DQEASD) with the x-ray detector DQE is used to develop a metric of system efficiency (DQEsys); the new metric is then related to the existing system efficiency parameters of effective DQE (eDQE) and generalized DQE (gDQE). The effect of scatter on signal transfer was modelled through its point spread function (PSF), leading to an x-ray beam transfer function (BTF) that multiplies with the classical presampling modulation transfer function (MTF) to give the system MTF. Expressions are then derived for the influence of scattered radiation on signal-difference to noise ratio (SDNR) and contrast-detail (c-d) detectability. The DQEsys metric was tested using two digital mammography systems, for eight x-ray beams (four with and four without scatter), matched in terms of effective energy. The model was validated through measurements of contrast, SDNR and MTF for poly(methyl)methacrylate thicknesses covering the range of scatter fractions expected in mammography. The metric also successfully predicted changes in c-d detectability for different scatter conditions. Scatter fractions for the four beams with scatter were established with the beam stop method using an extrapolation function derived from the scatter PSF, and validated through Monte Carlo (MC) simulations. Low-frequency drop of the MTF from scatter was compared to both theory and MC calculations. DQEsys successfully quantified the influence of the grid on SDNR and accurately gave the break-even object thickness at which system efficiency was improved by the grid. The DQEsys metric is proposed as an extension of current detector characterization methods to include a performance evaluation in the presence of scattered radiation, with an antiscatter device in place.

Scatter radiation intensities around a clinical digital breast tomosynthesis unit and the impact on radiation shielding considerations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Kai, E-mail: kyang11@mgh.harvard.edu; Li, Xinhua; Liu, Bob

2016-03-15

Purpose: To measure the scattered radiation intensity around a clinical digital breast tomosynthesis (DBT) unit and to provide updated data for radiation shielding design for DBT systems with tungsten-anode x-ray tubes. Methods: The continuous distribution of scattered x-rays from a clinical DBT system (Hologic Selenia Dimensions) was measured within an angular range of 0°–180° using a linear-array x-ray detector (X-Scan 0.8f3-512, Detection Technology, Inc., Finland), which was calibrated for the x-ray spectrum range of the DBT unit. The effects of x-ray field size, phantom size, and x-ray kVp/filter combination were investigated. Following a previously developed methodology by Simpkin, scatter fractionmore » was determined for the DBT system as a function of angle around the phantom center. Detailed calculations of the scatter intensity from a DBT system were demonstrated using the measured scatter fraction data. Results: For the 30 and 35 kVp acquisition, the scatter-to-primary-ratio and scatter fraction data closely matched with data previously measured by Simpkin. However, the measured data from this study demonstrated the nonisotropic distribution of the scattered radiation around a DBT system, with two strong peaks around 25° and 160°. The majority scatter radiation (>70%) originated from the imaging detector assembly, instead of the phantom. With a workload from a previous survey performed at MGH, the scatter air kerma at 1 m from the phantom center for wall/door is 1.76 × 10{sup −2} mGy patient{sup −1}, for floor is 1.64 × 10{sup −1} mGy patient{sup −1}, and for ceiling is 3.66 × 10{sup −2} mGy patient{sup −1}. Conclusions: Comparing to previously measured data for mammographic systems, the scatter air kerma from Holgoic DBT is at least two times higher. The main reasons include the harder primary beam with higher workload (measured with total mAs/week), added tomosynthesis acquisition, and strong small angle forward scattering. Due to the highly conservative initial assumptions, the shielding recommendation from NCRP Report 147 is still sufficient for the Hologic DBT system given the workload from a previous survey at MGH. With the data provided from this study, accurate shielding calculation can be performed for Hologic DBT systems with specific workload and barrier distance.« less

Application of focused-beam flat-sample method to synchrotron powder X-ray diffraction with anomalous scattering effect

NASA Astrophysics Data System (ADS)

Tanaka, M.; Katsuya, Y.; Matsushita, Y.

2013-03-01

The focused-beam flat-sample method (FFM), which is a method for high-resolution and rapid synchrotron X-ray powder diffraction measurements by combination of beam focusing optics, a flat shape sample and an area detector, was applied for diffraction experiments with anomalous scattering effect. The advantages of FFM for anomalous diffraction were absorption correction without approximation, rapid data collection by an area detector and good signal-to-noise ratio data by focusing optics. In the X-ray diffraction experiments of CoFe2O4 and Fe3O4 (By FFM) using X-rays near the Fe K absorption edge, the anomalous scattering effect between Fe/Co or Fe2+/Fe3+ can be clearly detected, due to the change of diffraction intensity. The change of observed diffraction intensity as the incident X-ray energy was consistent with the calculation. The FFM is expected to be a method for anomalous powder diffraction.

Direct measurement of the propagation velocity of defects using coherent X-rays

DOE PAGES

Ulbrandt, Jeffrey G.; Rainville, Meliha G.; Wagenbach, Christa; ...

2016-03-28

The properties of artificially grown thin films are often strongly affected by the dynamic relationships between surface growth processes and subsurface structure. Coherent mixing of X-ray signals promises to provide an approach to better understand such processes. Here, we demonstrate the continuously variable mixing of surface and bulk scattering signals during realtime studies of sputter deposition of a-Si and a-WSi2 films by controlling the X-ray penetration and escape depths in coherent grazing-incidence small-angle X-ray scattering. Under conditions where the X-ray signal comes from both the growth surface and the thin film bulk, oscillations in temporal correlations arise from coherent interferencemore » between scattering from stationary bulk features and from the advancing surface. We also observe evidence that elongated bulk features propagate upwards at the same velocity as the surface. Moreover, a highly surface-sensitive mode is demonstrated that can access the surface dynamics independently of the subsurface structure.« less

Rietveld analysis using powder diffraction data with anomalous scattering effect obtained by focused beam flat sample method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanaka, Masahiko, E-mail: masahiko@spring8.or.jp; Katsuya, Yoshio, E-mail: katsuya@spring8.or.jp; Sakata, Osami, E-mail: SAKATA.Osami@nims.go.jp

2016-07-27

Focused-beam flat-sample method (FFM) is a new trial for synchrotron powder diffraction method, which is a combination of beam focusing optics, flat shape powder sample and area detectors. The method has advantages for X-ray diffraction experiments applying anomalous scattering effect (anomalous diffraction), because of 1. Absorption correction without approximation, 2. High intensity X-rays of focused incident beams and high signal noise ratio of diffracted X-rays 3. Rapid data collection with area detectors. We applied the FFM to anomalous diffraction experiments and collected synchrotron X-ray powder diffraction data of CoFe{sub 2}O{sub 4} (inverse spinel structure) using X-rays near Fe K absorptionmore » edge, which can distinguish Co and Fe by anomalous scattering effect. We conducted Rietveld analyses with the obtained powder diffraction data and successfully determined the distribution of Co and Fe ions in CoFe{sub 2}O{sub 4} crystal structure.« less

Structure and collective dynamics of hydrated anti-freeze protein type III from 180 K to 298 K by X-ray diffraction and inelastic X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshida, Koji; Baron, Alfred Q. R.; Uchiyama, Hiroshi

We investigated hydrated antifreeze protein type III (AFP III) powder with a hydration level h (=mass of water/mass of protein) of 0.4 in the temperature range between 180 K and 298 K using X-ray diffraction and inelastic X-ray scattering (IXS). The X-ray diffraction data showed smooth, largely monotonic changes between 180 K and 298 K without freezing water. Meanwhile, the collective dynamics observed by IXS showed a strong change in the sound velocity at 180 K, after being largely temperature independent at higher temperatures (298–220 K). We interpret this change in terms of the dynamic transition previously discussed using othermore » probes including THz IR absorption spectroscopy and incoherent elastic and quasi-elastic neutron scattering. This finding suggests that the dynamic transition of hydrated proteins is observable on the subpicosecond time scale as well as nano- and pico-second scales, both in collective dynamics from IXS and single particle dynamics from neutron scattering. Moreover, it is most likely that the dynamic transition of hydrated AFP III is not directly correlated with its hydration structure.« less

Structure and collective dynamics of hydrated anti-freeze protein type III from 180 K to 298 K by X-ray diffraction and inelastic X-ray scattering

NASA Astrophysics Data System (ADS)

Yoshida, Koji; Baron, Alfred Q. R.; Uchiyama, Hiroshi; Tsutsui, Satoshi; Yamaguchi, Toshio

2016-04-01

We investigated hydrated antifreeze protein type III (AFP III) powder with a hydration level h (=mass of water/mass of protein) of 0.4 in the temperature range between 180 K and 298 K using X-ray diffraction and inelastic X-ray scattering (IXS). The X-ray diffraction data showed smooth, largely monotonic changes between 180 K and 298 K without freezing water. Meanwhile, the collective dynamics observed by IXS showed a strong change in the sound velocity at 180 K, after being largely temperature independent at higher temperatures (298-220 K). We interpret this change in terms of the dynamic transition previously discussed using other probes including THz IR absorption spectroscopy and incoherent elastic and quasi-elastic neutron scattering. This finding suggests that the dynamic transition of hydrated proteins is observable on the subpicosecond time scale as well as nano- and pico-second scales, both in collective dynamics from IXS and single particle dynamics from neutron scattering. Moreover, it is most likely that the dynamic transition of hydrated AFP III is not directly correlated with its hydration structure.

Structure and collective dynamics of hydrated anti-freeze protein type III from 180 K to 298 K by X-ray diffraction and inelastic X-ray scattering.

PubMed

Yoshida, Koji; Baron, Alfred Q R; Uchiyama, Hiroshi; Tsutsui, Satoshi; Yamaguchi, Toshio

2016-04-07

We investigated hydrated antifreeze protein type III (AFP III) powder with a hydration level h (=mass of water/mass of protein) of 0.4 in the temperature range between 180 K and 298 K using X-ray diffraction and inelastic X-ray scattering (IXS). The X-ray diffraction data showed smooth, largely monotonic changes between 180 K and 298 K without freezing water. Meanwhile, the collective dynamics observed by IXS showed a strong change in the sound velocity at 180 K, after being largely temperature independent at higher temperatures (298-220 K). We interpret this change in terms of the dynamic transition previously discussed using other probes including THz IR absorption spectroscopy and incoherent elastic and quasi-elastic neutron scattering. This finding suggests that the dynamic transition of hydrated proteins is observable on the subpicosecond time scale as well as nano- and pico-second scales, both in collective dynamics from IXS and single particle dynamics from neutron scattering. Moreover, it is most likely that the dynamic transition of hydrated AFP III is not directly correlated with its hydration structure.

POLIX: A Thomson X-ray polarimeter for a small satellite mission

NASA Astrophysics Data System (ADS)

Paul, Biswajit; Gopala Krishna, M. R.; Puthiya Veetil, Rishin

2016-07-01

POLIX is a Thomson X-ray polarimeter for a small satellite mission of ISRO. The instrument consists of a collimator, a scatterer and a set proportional counters to detect the scattered X-rays. We will describe the design, specifications, sensitivity, and development status of this instrument and some of the important scientific goals. This instrument will provide unprecedented opportunity to measure X-ray polarisation in the medium energy range in a large number of sources of different classes with a minimum detectable linear polarisation degree of 2-3%. The prime objects for observation with this instrument are the X-ray bright accretion powered neutron stars, accreting black holes in different spectral states, rotation powered pulsars, magnetars, and active galactic nuclei. This instrument will be a bridge between the soft X-ray polarimeters and the Compton polarimeters.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kishimoto, S., E-mail: syunji.kishimoto@kek.jp; Haruki, R.; Mitsui, T.

We developed a silicon avalanche photodiode (Si-APD) linear-array detector to be used for time-resolved X-ray scattering experiments using synchrotron X-rays. The Si-APD linear array consists of 64 pixels (pixel size: 100 × 200 μm{sup 2}) with a pixel pitch of 150 μm and a depletion depth of 10 μm. The multichannel scaler counted X-ray pulses over continuous 2046 time bins for every 0.5 ns and recorded a time spectrum at each pixel with a time resolution of 0.5 ns (FWHM) for 8.0 keV X-rays. Using the detector system, we were able to observe X-ray peaks clearly separated with 2 nsmore » interval in the multibunch-mode operation of the Photon Factory ring. The small-angle X-ray scattering for polyvinylidene fluoride film was also observed with the detector.« less

Small angle x-ray scattering with edge-illumination

NASA Astrophysics Data System (ADS)

Modregger, Peter; Cremona, Tiziana P.; Benarafa, Charaf; Schittny, Johannes C.; Olivo, Alessandro; Endrizzi, Marco

2016-08-01

Sensitivity to sub-pixel sample features has been demonstrated as a valuable capability of phase contrast x-ray imaging. Here, we report on a method to obtain angular-resolved small angle x-ray scattering distributions with edge-illumination- based imaging utilizing incoherent illumination from an x-ray tube. Our approach provides both the three established image modalities (absorption, differential phase and scatter strength), plus a number of additional contrasts related to unresolved sample features. The complementarity of these contrasts is experimentally validated by using different materials in powder form. As a significant application example we show that the extended complementary contrasts could allow the diagnosis of pulmonary emphysema in a murine model. In support of this, we demonstrate that the properties of the retrieved scattering distributions are consistent with the expectation of increased feature sizes related to pulmonary emphysema. Combined with the simplicity of implementation of edge-illumination, these findings suggest a high potential for exploiting extended sub-pixel contrasts in the diagnosis of lung diseases and beyond.

Finite element Compton tomography

NASA Astrophysics Data System (ADS)

Jannson, Tomasz; Amouzou, Pauline; Menon, Naresh; Gertsenshteyn, Michael

2007-09-01

In this paper a new approach to 3D Compton imaging is presented, based on a kind of finite element (FE) analysis. A window for X-ray incoherent scattering (or Compton scattering) attenuation coefficients is identified for breast cancer diagnosis, for hard X-ray photon energy of 100-300 keV. The point-by-point power/energy budget is computed, based on a 2D array of X-ray pencil beams, scanned vertically. The acceptable medical doses are also computed. The proposed finite element tomography (FET) can be an alternative to X-ray mammography, tomography, and tomosynthesis. In experiments, 100 keV (on average) X-ray photons are applied, and a new type of pencil beam collimation, based on a Lobster-Eye Lens (LEL), is proposed.

Characterizing the X-ray Emission From Stellar Bow Shocks and Their Driving Stars with the Chandra Archive

NASA Astrophysics Data System (ADS)

Binder, Breanna

2017-09-01

We propose an archival study of 2.8 Msec of ACIS images to search for X-ray emission from stellar-wind bow shocks and to characterize the X-ray properties of their driving stars. Bow shocks, particularly those produced by runaway OB stars, are theorized to up-scatter IR photons via inverse Compton scattering, and may produce a significant fraction of high-energy photons in our Galaxy. However, their low X-ray luminosity makes direct detection difficult. By stacking 106 archival observations containing >100 bow shocks, we will create the deepest X-ray exposure of bow shocks to date. We will perform the first detailed comparison of bow shock driving stars to the general massive star population.

Spot Scanning and Passive Scattering Proton Therapy: Relative Biological Effectiveness and Oxygen Enhancement Ratio in Cultured Cells.

PubMed

Iwata, Hiromitsu; Ogino, Hiroyuki; Hashimoto, Shingo; Yamada, Maho; Shibata, Hiroki; Yasui, Keisuke; Toshito, Toshiyuki; Omachi, Chihiro; Tatekawa, Kotoha; Manabe, Yoshihiko; Mizoe, Jun-etsu; Shibamoto, Yuta

2016-05-01

To determine the relative biological effectiveness (RBE), oxygen enhancement ratio (OER), and contribution of the indirect effect of spot scanning proton beams, passive scattering proton beams, or both in cultured cells in comparison with clinically used photons. The RBE of passive scattering proton beams at the center of the spread-out Bragg peak (SOBP) was determined from dose-survival curves in 4 cell lines using 6-MV X rays as controls. Survival of 2 cell lines after spot scanning and passive scattering proton irradiation was then compared. Biological effects at the distal end region of the SOBP were also investigated. The OER of passive scattering proton beams and 6 MX X rays were investigated in 2 cell lines. The RBE and OER values were estimated at a 10% cell survival level. The maximum degree of protection of radiation effects by dimethyl sulfoxide was determined to estimate the contribution of the indirect effect against DNA damage. All experiments comparing protons and X rays were made under the same biological conditions. The RBE values of passive scattering proton beams in the 4 cell lines examined were 1.01 to 1.22 (average, 1.14) and were almost identical to those of spot scanning beams. Biological effects increased at the distal end of the SOBP. In the 2 cell lines examined, the OER was 2.74 (95% confidence interval, 2.56-2.80) and 3.08 (2.84-3.11), respectively, for X rays, and 2.39 (2.38-2.43) and 2.72 (2.69-2.75), respectively, for protons (P<.05 for both cells between X rays and protons). The maximum degree of protection was significantly higher for X rays than for proton beams (P<.05). The RBE values of spot scanning and passive scattering proton beams were almost identical. The OER was lower for protons than for X rays. The lower contribution of the indirect effect may partly account for the lower OER of protons. Copyright © 2016 Elsevier Inc. All rights reserved.

X-ray diffraction-based electronic structure calculations and experimental x-ray analysis for medical and materials applications

NASA Astrophysics Data System (ADS)

Mahato, Dip Narayan

This thesis includes x-ray experiments for medical and materials applications and the use of x-ray diffraction data in a first-principles study of electronic structures and hyperfine properties of chemical and biological systems. Polycapillary focusing lenses were used to collect divergent x rays emitted from conventional x-ray tubes and redirect them to form an intense focused beam. These lenses are routinely used in microbeam x-ray fluorescence analysis. In this thesis, their potential application to powder diffraction and focused beam orthovoltage cancer therapy has been investigated. In conventional x-ray therapy, very high energy (˜ MeV) beams are used, partly to reduce the skin dose. For any divergent beam, the dose is necessarily highest at the entry point, and decays exponentially into the tissue. To reduce the skin dose, high energy beams, which have long absorption lengths, are employed, and rotated about the patient to enter from different angles. This necessitates large expensive specialized equipment. A focused beam could concentrate the dose within the patient. Since this is inherently skin dose sparing, lower energy photons could be employed. A primary concern in applying focused beams to therapy is whether the focus would be maintained despite Compton scattering within the tissue. To investigate this, transmission and focal spot sizes as a function of photon energy of two polycapillary focusing lenses were measured. The effects of tissue-equivalent phantoms of different thicknesses on the focal spot size were studied. Scatter fraction and depth dose were calculated. For powder diffraction, the polycapillary optics provide clean Gaussian peaks, which result in angular resolution that is much smaller than the peak width due to the beam convergence. Powder diffraction (also called coherent scatter) without optics can also be used to distinguish between tissue types that, because they have different nanoscale structures, scatter at different angles. Measurements were performed on the development of coherent scatter imaging to provide tissue type information in mammography. Atomic coordinates from x-ray diffraction data were used to study the nuclear quadrupole interactions and nature of molecular binding in DNA/RNA nucleobases and molecular solid BF3 systems.

Small-angle scattering of polychromatic X-rays: effects of bandwidth, spectral shape and high harmonics.

PubMed

Chen, Sen; Luo, Sheng Nian

2018-03-01

Polychromatic X-ray sources can be useful for photon-starved small-angle X-ray scattering given their high spectral fluxes. Their bandwidths, however, are 10-100 times larger than those using monochromators. To explore the feasibility, ideal scattering curves of homogeneous spherical particles for polychromatic X-rays are calculated and analyzed using the Guinier approach, maximum entropy and regularization methods. Monodisperse and polydisperse systems are explored. The influence of bandwidth and asymmetric spectra shape are explored via Gaussian and half-Gaussian spectra. Synchrotron undulator spectra represented by two undulator sources of the Advanced Photon Source are examined as an example, as regards the influence of asymmetric harmonic shape, fundamental harmonic bandwidth and high harmonics. The effects of bandwidth, spectral shape and high harmonics on particle size determination are evaluated quantitatively.

Complementary uses of small angle X-ray scattering and X-ray crystallography.

PubMed

Pillon, Monica C; Guarné, Alba

2017-11-01

Most proteins function within networks and, therefore, protein interactions are central to protein function. Although stable macromolecular machines have been extensively studied, dynamic protein interactions remain poorly understood. Small-angle X-ray scattering probes the size, shape and dynamics of proteins in solution at low resolution and can be used to study samples in a large range of molecular weights. Therefore, it has emerged as a powerful technique to study the structure and dynamics of biomolecular systems and bridge fragmented information obtained using high-resolution techniques. Here we review how small-angle X-ray scattering can be combined with other structural biology techniques to study protein dynamics. This article is part of a Special Issue entitled: Biophysics in Canada, edited by Lewis Kay, John Baenziger, Albert Berghuis and Peter Tieleman. Copyright © 2017 Elsevier B.V. All rights reserved.

Electronic and magnetic properties of manganite thin films with different compositions and its correlation with transport properties: An X-ray resonant magnetic scattering study

DOE PAGES

Singh, Surendra; Freeland, J. W.; Fitzsimmons, M. R.; ...

2014-12-08

Here, we present x-ray resonant magnetic dichroism and x-ray resonant magnetic scattering measurements of the temperature dependence of magnetism in Pr-doped La-Ca-Mn-O films grown on (110) NdGaO3 substrates. We observed thermal hysteresis of the ferromagnetism in one film that also showed large thermal hysteresis of ~18K in transport measurements. While in a second film of a different nominal chemistry, which showed very small thermal hysteresis ~3K in transport measurements, no thermal hysteresis of the ferromagnetism was observed. As a result, these macroscopic properties are correlated with evolution of surface magnetization across metal insulator transition for these films as observed bymore » soft x-ray resonant magnetic scattering measurements.« less

Small-angle scattering of polychromatic X-rays: effects of bandwidth, spectral shape and high harmonics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Sen; Luo, Sheng-Nian

Polychromatic X-ray sources can be useful for photon-starved small-angle X-ray scattering given their high spectral fluxes. Their bandwidths, however, are 10–100 times larger than those using monochromators. To explore the feasibility, ideal scattering curves of homogeneous spherical particles for polychromatic X-rays are calculated and analyzed using the Guinier approach, maximum entropy and regularization methods. Monodisperse and polydisperse systems are explored. The influence of bandwidth and asymmetric spectra shape are exploredviaGaussian and half-Gaussian spectra. Synchrotron undulator spectra represented by two undulator sources of the Advanced Photon Source are examined as an example, as regards the influence of asymmetric harmonic shape, fundamentalmore » harmonic bandwidth and high harmonics. The effects of bandwidth, spectral shape and high harmonics on particle size determination are evaluated quantitatively.« less

Design and performance of BOREAS, the beamline for resonant X-ray absorption and scattering experiments at the ALBA synchrotron light source

DOE PAGES

Barla, Alessandro; Nicolas, Josep; Cocco, Daniele; ...

2016-10-07

The optical design of the BOREAS beamline operating at the ALBA synchrotron radiation facility is described. BOREAS is dedicated to resonant X-ray absorption and scattering experiments using soft X-rays, in an unusually extended photon energy range from 80 to above 4000 eV, and with full polarization control. Its optical scheme includes a fixed-included-angle, variable-line-spacing grating monochromator and a pair of refocusing mirrors, equipped with benders, in a Kirkpatrick–Baez arrangement. It is equipped with two end-stations, one for X-ray magnetic circular dichroism and the other for resonant magnetic scattering. In conclusion, the commissioning results show that the expected beamline performance ismore » achieved both in terms of energy resolution and of photon flux at the sample position.« less

Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy below 100 eV: probing first-row transition-metal M-edges in chemical complexes

PubMed Central

Wang, Hongxin; Young, Anthony T.; Guo, Jinghua; Cramer, Stephen P.; Friedrich, Stephan; Braun, Artur; Gu, Weiwei

2013-01-01

X-ray absorption and scattering spectroscopies involving the 3d transition-metal K- and L-edges have a long history in studying inorganic and bioinorganic molecules. However, there have been very few studies using the M-edges, which are below 100 eV. Synchrotron-based X-ray sources can have higher energy resolution at M-edges. M-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) could therefore provide complementary information to K- and L-edge spectroscopies. In this study, M 2,3-edge XAS on several Co, Ni and Cu complexes are measured and their spectral information, such as chemical shifts and covalency effects, are analyzed and discussed. In addition, M 2,3-edge RIXS on NiO, NiF2 and two other covalent complexes have been performed and different d–d transition patterns have been observed. Although still preliminary, this work on 3d metal complexes demonstrates the potential to use M-edge XAS and RIXS on more complicated 3d metal complexes in the future. The potential for using high-sensitivity and high-resolution superconducting tunnel junction X-ray detectors below 100 eV is also illustrated and discussed. PMID:23765304

Soft X-ray absorption spectroscopy and resonant inelastic X-ray scattering spectroscopy below 100 eV: probing first-row transition-metal M-edges in chemical complexes.

PubMed

Wang, Hongxin; Young, Anthony T; Guo, Jinghua; Cramer, Stephen P; Friedrich, Stephan; Braun, Artur; Gu, Weiwei

2013-07-01

X-ray absorption and scattering spectroscopies involving the 3d transition-metal K- and L-edges have a long history in studying inorganic and bioinorganic molecules. However, there have been very few studies using the M-edges, which are below 100 eV. Synchrotron-based X-ray sources can have higher energy resolution at M-edges. M-edge X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) could therefore provide complementary information to K- and L-edge spectroscopies. In this study, M2,3-edge XAS on several Co, Ni and Cu complexes are measured and their spectral information, such as chemical shifts and covalency effects, are analyzed and discussed. In addition, M2,3-edge RIXS on NiO, NiF2 and two other covalent complexes have been performed and different d-d transition patterns have been observed. Although still preliminary, this work on 3d metal complexes demonstrates the potential to use M-edge XAS and RIXS on more complicated 3d metal complexes in the future. The potential for using high-sensitivity and high-resolution superconducting tunnel junction X-ray detectors below 100 eV is also illustrated and discussed.

Investigation of the structure of unilamellar dimyristoylphosphatidylcholine vesicles in aqueous sucrose solutions by small-angle neutron and X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kiselev, M. A., E-mail: elena@jinr.ru; Zemlyanaya, E. V.; Zhabitskaya, E. I.

2015-01-15

The structure of a polydispersed population of unilamellar dimyristoylphosphatidylcholine (DMPC) vesicles in sucrose solutions has been investigated by small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS). Calculations within the model of separated form factors (SFF) show that the structure of the vesicle system depends strongly on the sucrose concentration.

X-ray radiation from nonlinear Thomson scattering of an intense femtosecond laser on relativistic electrons in a helium plasma.

PubMed

Ta Phuoc, K; Rousse, A; Pittman, M; Rousseau, J P; Malka, V; Fritzler, S; Umstadter, D; Hulin, D

2003-11-07

We have generated x-ray radiation from the nonlinear Thomson scattering of a 30 fs/1.5 J laser beam on plasma electrons. A collimated x-ray radiation with a broad continuous spectrum peaked at 0.15 keV with a significant tail up to 2 keV has been observed. These characteristics are found to depend strongly on the laser strength parameter a(0). This radiative process is dominant for a(0) greater than unity at which point the relativistic scattering of the laser light originates from MeV energy electrons inside the plasma.

Compact X-ray sources: X-rays from self-reflection

NASA Astrophysics Data System (ADS)

Mangles, Stuart P. D.

2012-05-01

Laser-based particle acceleration offers a way to reduce the size of hard-X-ray sources. Scientists have now developed a simple scheme that produces a bright flash of hard X-rays by using a single laser pulse both to generate and to scatter an electron beam.

Development of a hard x-ray focal plane compton polarimeter: a compact polarimetric configuration with scintillators and Si photomultipliers

NASA Astrophysics Data System (ADS)

Chattopadhyay, T.; Vadawale, S. V.; Goyal, S. K.; Mithun, N. P. S.; Patel, A. R.; Shukla, R.; Ladiya, T.; Shanmugam, M.; Patel, V. R.; Ubale, G. P.

2016-02-01

X-ray polarization measurement of cosmic sources provides two unique parameters namely degree and angle of polarization which can probe the emission mechanism and geometry at close vicinity of the compact objects. Specifically, the hard X-ray polarimetry is more rewarding because the sources are expected to be intrinsically highly polarized at higher energies. With the successful implementation of Hard X-ray optics in NuSTAR, it is now feasible to conceive Compton polarimeters as focal plane detectors. Such a configuration is likely to provide sensitive polarization measurements in hard X-rays with a broad energy band. We are developing a focal plane hard X-ray Compton polarimeter consisting of a plastic scintillator as active scatterer surrounded by a cylindrical array of CsI(Tl) scintillators. The scatterer is 5 mm diameter and 100 mm long plastic scintillator (BC404) viewed by normal PMT. The photons scattered by the plastic scatterer are collected by a cylindrical array of 16 CsI(Tl) scintillators (5 mm × 5 mm × 150 mm) which are read by Si Photomultiplier (SiPM). Use of the new generation SiPMs ensures the compactness of the instrument which is essential for the design of focal plane detectors. The expected sensitivity of such polarimetric configuration and complete characterization of the plastic scatterer, specially at lower energies have been discussed in [11, 13]. In this paper, we characterize the CsI(Tl) absorbers coupled to SiPM. We also present the experimental results from the fully assembled configuration of the Compton polarimeter.

Kevin Yager on the Nanoscience of Studying Scattered X-Rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yager, Kevin

Kevin Yager, a scientist at Brookhaven Lab's Center for Functional Nanomaterials, discusses his research on materials spanning just billionths of a meter. Yager specializes in making new materials through meticulously guided self-assembly and probing nanoscale structures with a technique called x-ray scattering.

Kevin Yager on the Nanoscience of Studying Scattered X-Rays

ScienceCinema

Yager, Kevin

2018-01-16

Kevin Yager, a scientist at Brookhaven Lab's Center for Functional Nanomaterials, discusses his research on materials spanning just billionths of a meter. Yager specializes in making new materials through meticulously guided self-assembly and probing nanoscale structures with a technique called x-ray scattering.

X-ray and Neutron Scattering Study of the Formation of Core–Shell-Type Polyoxometalates

DOE PAGES

Yin, Panchao; Wu, Bin; Mamontov, Eugene; ...

2016-02-05

A typical type of core-shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small angle X-ray scattering is used to study the structural features and stability of the core-shell structures in aqueous solutions. Time-resolved small angle X-ray scattering is applied to monitor the synthetic reactions and a three-stage formation mechanism is proposed to describe the synthesis of the core-shell polyoxometalates based on the monitoring results. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core-shell structures and two different types ofmore » water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures. A typical type of core shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small-angle X-ray scattering is used to study the structural features and stability of the core shell structures in aqueous solutions. Time-resolved small-angle X-ray scattering is applied to monitor the synthetic reactions, and a three-stage formation mechanism is proposed to describe the synthesis of the core shell polyoxometalates based on the monitoring results. New protocols have been developed by fitting the X-ray data with custom physical models, which provide more convincing, objective, and completed data interpretation. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core shell structures, and two different types of water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures.« less

THE BORN-AGAIN PLANETARY NEBULA A78: AN X-RAY TWIN OF A30

DOE Office of Scientific and Technical Information (OSTI.GOV)

Toalá, J. A.; Guerrero, M. A.; Marquez-Lugo, R. A.

We present the XMM-Newton discovery of X-ray emission from the planetary nebula (PN) A78, the second born-again PN detected in X-rays apart from A30. These two PNe share similar spectral and morphological characteristics: they harbor diffuse soft X-ray emission associated with the interaction between the H-poor ejecta and the current fast stellar wind and a point-like source at the position of the central star (CSPN). We present the spectral analysis of the CSPN, using for the first time an NLTE code for expanding atmospheres that takes line blanketing into account for the UV and optical spectra. The wind abundances aremore » used for the X-ray spectral analysis of the CSPN and the diffuse emission. The X-ray emission from the CSPN in A78 can be modeled by a single C VI emission line, while the X-ray emission from its diffuse component is better described by an optically thin plasma emission model with a temperature of kT = 0.088 keV (T ≈ 1.0 × 10{sup 6} K). We estimate X-ray luminosities in the 0.2-2.0 keV energy band of L {sub X,} {sub CSPN} = (1.2 ± 0.3) × 10{sup 31} erg s{sup –1} and L {sub X,} {sub DIFF} = (9.2 ± 2.3) × 10{sup 30} erg s{sup –1} for the CSPN and diffuse components, respectively.« less

Resonant inelastic soft x-ray scattering of CdS: a two-dimensional electronic structure map approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weinhardt, L.; Fuchs, O.; Fleszar, A.

2008-09-24

Resonant inelastic x-ray scattering (RIXS) with soft x-rays is uniquely suited to study the elec-tronic structure of a variety of materials, but is currently limited by low (fluorescence yield) count rates. This limitation is overcome with a new high-transmission spectrometer that allows to measure soft x-ray RIXS"maps." The S L2,3 RIXS map of CdS is discussed and compared with density functional calculations. The map allows the extraction of decay channel-specific"absorp-tion spectra," giving detailed insight into the wave functions of occupied and unoccupied elec-tronic states.

Directional x-ray dark-field imaging of strongly ordered systems

NASA Astrophysics Data System (ADS)

Jensen, Torben Haugaard; Bech, Martin; Zanette, Irene; Weitkamp, Timm; David, Christian; Deyhle, Hans; Rutishauser, Simon; Reznikova, Elena; Mohr, Jürgen; Feidenhans'L, Robert; Pfeiffer, Franz

2010-12-01

Recently a novel grating based x-ray imaging approach called directional x-ray dark-field imaging was introduced. Directional x-ray dark-field imaging yields information about the local texture of structures smaller than the pixel size of the imaging system. In this work we extend the theoretical description and data processing schemes for directional dark-field imaging to strongly scattering systems, which could not be described previously. We develop a simple scattering model to account for these recent observations and subsequently demonstrate the model using experimental data. The experimental data includes directional dark-field images of polypropylene fibers and a human tooth slice.

Interplay of Structure and Dynamics in Biomaterials

NASA Astrophysics Data System (ADS)

Vodnala, Preeti

Study of structure and dynamic behavior is essential to understand molecular motions in biological systems. In this work, two biomaterials were studied to address membrane properties and protein diffusion. For the first project, we studied the structure of liposomes, artificial vesicles that are used for drug encapsulation and administration of pharmaceuticals or cellular nutrients. Small-angle x-ray scattering (SAXS) was used to determine the structural properties of different liposomes composed of egg-PC and cholesterol bilayer. We examined the location of cholesterol by labelling cholesterol with bromine molecule and reveal that cholesterol is located one side of the leaflet adjusting itself to the curvature of a liposome. In my second project, we studied the dynamics of concentrated suspensions of alpha crystallin, one of the most abundant proteins in the human eye lens using X-ray photon correlation spectroscopy (XPCS). An improved understanding of dynamics could point the way towards treatments presbyopia and cataract. The dynamics were measured at volume fraction close to the critical volume fraction for the glass transition, where the intermediate scattering function, ƒ(q,T) could be well fit using a double exponential decay. The measured relaxation is in reasonable agreement with published molecular dynamics simulations for the relaxation times of hard-sphere colloids.

Fingerprints of orbital physics in magnetic resonant inelastic X-ray scattering

NASA Astrophysics Data System (ADS)

Marra, Pasquale

2012-09-01

Orbital degrees of freedom play a major role in the physics of many strongly correlated transition metal compounds. However, they are still very difficult to access experimentally, in particular by neutron scattering. We propose here how to reveal orbital occupancies of the system ground state by magnetic resonant inelastic x-ray scattering (RIXS). This is possible because, unlike in neutron scattering, the intensity of the magnetic excitations in RIXS depends essentially on the symmetry of the orbitals where the spins are in.

SMALL-SCALE ANISOTROPIES OF COSMIC RAYS FROM RELATIVE DIFFUSION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahlers, Markus; Mertsch, Philipp

2015-12-10

The arrival directions of multi-TeV cosmic rays show significant anisotropies at small angular scales. It has been argued that this small-scale structure can naturally arise from cosmic ray scattering in local turbulent magnetic fields that distort a global dipole anisotropy set by diffusion. We study this effect in terms of the power spectrum of cosmic ray arrival directions and show that the strength of small-scale anisotropies is related to properties of relative diffusion. We provide a formalism for how these power spectra can be inferred from simulations and motivate a simple analytic extension of the ensemble-averaged diffusion equation that canmore » account for the effect.« less

Diffraction data of core-shell nanoparticles from an X-ray free electron laser

DOE PAGES

Li, Xuanxuan; Chiu, Chun -Ya; Wang, Hsiang -Ju; ...

2017-04-11

X-ray free-electron lasers provide novel opportunities to conduct single particle analysis on nanoscale particles. Coherent diffractive imaging experiments were performed at the Linac Coherent Light Source (LCLS), SLAC National Laboratory, exposing single inorganic core-shell nanoparticles to femtosecond hard-X-ray pulses. Each facetted nanoparticle consisted of a crystalline gold core and a differently shaped palladium shell. Scattered intensities were observed up to about 7 nm resolution. Analysis of the scattering patterns revealed the size distribution of the samples, which is consistent with that obtained from direct real-space imaging by electron microscopy. Furthermore, scattering patterns resulting from single particles were selected and compiledmore » into a dataset which can be valuable for algorithm developments in single particle scattering research.« less

Thermotropic phase transition in an adsorbed melissic acid film at the n-hexane-water interface

NASA Astrophysics Data System (ADS)

Tikhonov, A. M.

2017-06-01

A reversible thermotropic phase transition in an adsorption melissic acid film at the interface between n-hexane and an aqueous solution of potassium hydroxide (pH ≈ 10) is investigated by X-ray reflectometry and diffuse scattering using synchrotron radiation. The experimental data indicate that the interface "freezing" transition is accompanied not only by the crystallization of the Gibbs monolayer but also by the formation of a planar smectic structure in the 300-Å-thick adsorption film; this structure is formed by 50-Å-thick layers.

A ROSAT high resolution x ray image of NGC 1068

NASA Technical Reports Server (NTRS)

Halpern, J.

1993-01-01

The soft x ray properties of the Seyfert 2 galaxy NGC 1068 are a crucial test of the 'hidden Seyfert 1' model. It is important to determine whether the soft x rays come from the nucleus, or from a number of other possible regions in the circumnuclear starburst disk. We present preliminary results of a ROSAT HRI observation of NGC 1068 obtained during the verification phase. The fraction of x rays that can be attributed to the nucleus is about 70 percent so the 'soft x ray problem' remains. There is also significant diffuse x ray flux on arcminute scales, which may be related to the 'diffuse ionized medium' seen in optical emission lines, and the highly ionized Fe K(alpha) emission seen by BBXRT.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

Evolution of elastic x-ray scattering in laser-shocked warm dense lithium.

PubMed

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

2009-12-01

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

Enhanced Efficiency of Dye-Sensitized Solar Cells with Mesoporous-Macroporous TiO2 Photoanode Obtained Using ZnO Template

NASA Astrophysics Data System (ADS)

Pham, Trang T. T.; Mathews, Nripan; Lam, Yeng-Ming; Mhaisalkar, Subodh

2017-06-01

Improved light harvesting efficiency can be achieved by enhancing the optical properties of the titanium dioxide (TiO2) photoanode in dye-sensitized solar cells (DSSCs), leading to higher power conversion efficiency. By incorporating submicrometer cavities in TiO2 mesoporous film, using zinc oxide (ZnO) particles as a template, a bimodal pore size structure has been created, called a mesoporous-macroporous nanostructure. This photoanode structure consists of 20-nm TiO2 nanoparticles with two kinds of pores with size of 20 nm (mesopores) and 500 nm (macropores). Energy-dispersive x-ray spectroscopy and x-ray diffraction studies showed no trace of ZnO in the TiO2 after removal by TiCl4 treatment. Higher diffuse transmittance of this film compared with the standard transparent photoanode provides evidence of improved light scattering. When employed in a device, the incident-photon-to-current efficiency of ZnO-assisted devices showed enhancement at longer wavelengths, corresponding to the Mie light scattering effect with the macropores as scattering centers. This resulted in overall higher power conversion efficiency of the DSSC. In this work, a nonvolatile gel ionic liquid was used as the electrolyte to also demonstrate the benefit of this structure in combination with a viscous electrolyte and its promising application to prolong the stability of DSSCs.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gibbs, D.; Moncton, D.E.; D'Amico, K.L.

1985-07-08

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

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

DTIC Science & Technology

2016-12-01

Intercalibration of small-angle X- Ray and neutron-scattering data. Journal of Applied Crystallography . 1988;21:629–638. 7. Zhang F, Ilavsky J, Long GG...Materials Transactions A. 2009;41:1151–1158. 8. Kusz J, Bohm H. Performance of a confocal multilayer X-ray optic. Journal of Applied Crystallography ...Journal of Applied Crystallography . 2004;37:369–380. 10. Orthaber D, Bergmann A, Glatter O. SAXS experiments on absolute scale with Kratky systems using

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

DTIC Science & Technology

2016-12-01

Intercalibration of small-angle X- Ray and neutron-scattering data. Journal of Applied Crystallography . 1988;21:629–638. 7. Zhang F, Ilavsky J, Long GG...Materials Transactions A. 2009;41:1151–1158. 8. Kusz J, Bohm H. Performance of a confocal multilayer X-ray optic. Journal of Applied Crystallography ...Journal of Applied Crystallography . 2004;37:369–380. 10. Orthaber D, Bergmann A, Glatter O. SAXS experiments on absolute scale with Kratky systems using

Surface dynamics of micellar diblock copolymer films

NASA Astrophysics Data System (ADS)

Song, Sanghoon; Cha, Wonsuk; Kim, Hyunjung; Jiang, Zhang; Narayanan, Suresh

2011-03-01

We studied the structure and surface dynamics of poly(styrene)-b-poly(dimethylsiloxane) (PS-b-PDMS) diblock copolymer films with micellar PDMS surrounded by PS shells. By `in-situ' high resolution synchrotron x-ray reflectivity and diffuse scattering, we obtained exact thickness, electron density and surface tension. A segregation layer near the top surface was appeared with increasing temperature Surface dynamics were measured as a function of film thickness and temperature by x-ray photon correlation spectroscopy. The best fit to relaxation time constants as a function of in-plane wavevectors were analyzed with a theory based on capillary waves with hydrodynamics with bilayer model Finally the viscosities for the top segregated layer as well as for the bottom layer are obtained at given temperatures This work was supported by National Research Foundation of Korea (R15-2008-006-01001-0), Seoul Research and Business Development Program (10816), and Sogang University Research Grant (2010).

The coefficient of bond thermal expansion measured by extended x-ray absorption fine structure.

PubMed

Fornasini, P; Grisenti, R

2014-10-28

The bond thermal expansion is in principle different from the lattice expansion and can be measured by correlation sensitive probes such as extended x-ray absorption fine structure (EXAFS) and diffuse scattering. The temperature dependence of the coefficient α(bond)(T) of bond thermal expansion has been obtained from EXAFS for CdTe and for Cu. A coefficient α(tens)(T) of negative expansion due to tension effects has been calculated from the comparison of bond and lattice expansions. Negative lattice expansion is present in temperature intervals where α(bond) prevails over α(tens); this real-space approach is complementary but not equivalent to the Grüneisen theory. The relevance of taking into account the asymmetry of the nearest-neighbours distribution of distances in order to get reliable bond expansion values and the physical meaning of the third cumulant are thoroughly discussed.

Probing the Reverse Shock in an Oxygen-Rich Supernova Remnant

NASA Technical Reports Server (NTRS)

Sonneborn, George (Technical Monitor); Gaetz, Terrance J.

2003-01-01

The aim of this proposal was to examine the O VI emission at three positions around the X-ray bright ring of the remnant in order to investigate the relation between the O VI emission, the X-ray O VII and O VIII emission, and the optical [O III] emission, and how these vary around the rim of the remnant. So far, only one Far Ultraviolet Spectroscopic Explorer (FUSE) pointing at the remnant has been performed, together with the background pointing needed to subtract the diffuse scattered light from nearby O stars. The data were recalibrated using the CalFUSE calibration pipeline, but the emission is faint enough that hand processing will be needed for this pointing to optimize the extraction. Rereduction of the data is underway. A postdoctoral fellow has also been hired, and in part she will assist with the analysis.

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

PubMed Central

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

2016-01-01

We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit, we employ a Monte-Carlo-molecular dynamics-ab-initio hybrid framework using real space periodic boundary conditions. By combining all the units, we simulate the diffraction pattern of a crystal larger than the transverse x-ray beam profile, a situation commonly encountered in femtosecond nanocrystallography experiments with focused x-ray free-electron laser radiation. Radiation damage is not spatially uniform and depends on the fluence associated with each specific region inside the crystal. To investigate the effects of uniform and non-uniform fluence distribution, we have used two different spatial beam profiles, Gaussian and flattop. PMID:27478859

Total scattering and pair distribution function analysis in modelling disorder in PZN (PbZn1/3Nb2/3O3)

PubMed Central

Whitfield, Ross E.; Goossens, Darren J.; Welberry, T. Richard

2016-01-01

The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site—O separation distances and the fact that 〈110〉 Pb2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (½ ½ ½), whereas it was not apparent in the PDF. PMID:26870378

Dynamical and Radiative Properties of X-Ray Pulsar Accretion Columns: Phase-averaged Spectra

NASA Astrophysics Data System (ADS)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A.

2017-02-01

The availability of the unprecedented spectral resolution provided by modern X-ray observatories is opening up new areas for study involving the coupled formation of the continuum emission and the cyclotron absorption features in accretion-powered X-ray pulsar spectra. Previous research focusing on the dynamics and the associated formation of the observed spectra has largely been confined to the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface, while the dynamical effect of gas pressure is ignored. In a companion paper, we have presented a detailed analysis of the hydrodynamic and thermodynamic structure of the accretion column obtained using a new self-consistent model that includes the effects of both gas and radiation pressures. In this paper, we explore the formation of the associated X-ray spectra using a rigorous photon transport equation that is consistent with the hydrodynamic and thermodynamic structure of the column. We use the new model to obtain phase-averaged spectra and partially occulted spectra for Her X-1, Cen X-3, and LMC X-4. We also use the new model to constrain the emission geometry, and compare the resulting parameters with those obtained using previously published models. Our model sheds new light on the structure of the column, the relationship between the ionized gas and the photons, the competition between diffusive and advective transport, and the magnitude of the energy-averaged cyclotron scattering cross-section.

Dynamical and Radiative Properties of X-Ray Pulsar Accretion Columns: Phase-averaged Spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A., E-mail: bwest@usna.edu, E-mail: kswolfram@gmail.com, E-mail: pbecker@gmu.edu

The availability of the unprecedented spectral resolution provided by modern X-ray observatories is opening up new areas for study involving the coupled formation of the continuum emission and the cyclotron absorption features in accretion-powered X-ray pulsar spectra. Previous research focusing on the dynamics and the associated formation of the observed spectra has largely been confined to the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface, while the dynamical effect of gas pressure is ignored. In a companion paper, we have presented a detailed analysis of the hydrodynamic and thermodynamicmore » structure of the accretion column obtained using a new self-consistent model that includes the effects of both gas and radiation pressures. In this paper, we explore the formation of the associated X-ray spectra using a rigorous photon transport equation that is consistent with the hydrodynamic and thermodynamic structure of the column. We use the new model to obtain phase-averaged spectra and partially occulted spectra for Her X-1, Cen X-3, and LMC X-4. We also use the new model to constrain the emission geometry, and compare the resulting parameters with those obtained using previously published models. Our model sheds new light on the structure of the column, the relationship between the ionized gas and the photons, the competition between diffusive and advective transport, and the magnitude of the energy-averaged cyclotron scattering cross-section.« less

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

PubMed

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

2014-11-17

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

Scatter Reduction In Conventional Radiographic Tomography Using Rotating Apertures

NASA Astrophysics Data System (ADS)

Rudin, Stephen; Bednarek, Daniel R.

1981-08-01

Since images in conventional radiographic tomography are in-herently low in subject contrast, it is essential that scattered radiation be prevented from reaching the image receptor. Scanning beam or slit radiographic techniques are known to be the most efficient scatter elimination methods, yet have been inapplicable to this area of radiography. In this work it is shown that the scanning beam method using rotating aperture wheel (RAW) devices can be used in conventional tomography. One coder wheel between the x-ray tube and patient and two scatter discriminator wheels between the patient and image recep-tor form sections of the RAW "projection cone" with the lines of radia-tion from the x-ray source forming the "flux pyramid." As long as the projection cone follows the motion of the x-ray flux pyramid (with the ratios of the distances between the x-ray source, RAWs, patient, and image receptor kept constant throughout the motion) any RAW pattern may be used. Simple relations are given which describe the geometric constraints for various tomographic motions. As in any application of scanning slit techniques, it is possible to use the excellent scatter elimination capabilities of a RAW device either to improve image contrast or to reduce patient dose.

Long Periodic Structure of a Room-Temperature Ionic Liquid by High-Pressure Small-Angle X-Ray Scattering and Wide-Angle X-Ray Scattering: 1-Decyl-3-Methylimidazolium Chloride.

PubMed

Abe, Hiroshi; Hamaya, Nozomu; Koyama, Yoshihiro; Kishimura, Hiroaki; Takekiyo, Takahiro; Yoshimura, Yukihiro; Wakabayashi, Daisuke; Funamori, Nobumasa; Matsuishi, Kiyoto

2018-04-23

The Bragg reflections of 1-decyl-3-methylimidazolium chloride ([C 10 mim][Cl]), a room-temperature ionic liquid, are observed in a lowly scattered wavevector (q) region using high-pressure (HP) small-angle X-ray scattering methods. The HP crystal of [C 10 mim][Cl] was characterized by an extremely long periodic structure. The peak position at the lowest q (1.4 nm -1 ) was different from that of the prepeak observed in the liquid state (2.3 nm -1 ). Simultaneously, Bragg reflections at high-q were detected using HP wide-angle X-ray scattering. The longest lattice constant was estimated to be 4.3 nm using structural analysis. The crystal structure of HP differed from that of the low-temperature (LT) crystal and the LT liquid crystal. With increasing pressure, Bragg reflections in the high-q component became much broader, and were accompanied by phase transition, although those in the low-q component were observed to be relatively sharp. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

X-ray Survey of Centaurus A.

PubMed

Byram, E T; Chubb, T A; Friedman, H

1970-07-24

An x-ray survey of Centaurus A has given marginal evidence of its x-ray flux. If taken as an upper limit on inverse Compton x-rays generated by scattering interactions between relativistic electrons and cosmological background photons, the observation implies an upper limit of close to 3 degrees K for the background radiation temperature.

Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kunnus, Kristjan; Josefsson, Ida; Rajkovic, Ivan

Here, ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbitalmore » and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)5 in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given—which will be covered experimentally by upcoming transform-limited x-ray sources.« less

Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics

DOE PAGES

Kunnus, Kristjan; Josefsson, Ida; Rajkovic, Ivan; ...

2016-10-07

Here, ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbitalmore » and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)5 in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given—which will be covered experimentally by upcoming transform-limited x-ray sources.« less

Dual crystal x-ray spectrometer at 1.8 keV for high repetition-rate single-photon counting spectroscopy experiments

DOE PAGES

Gamboa, E. J.; Bachmann, B.; Kraus, D.; ...

2016-08-01

The recent development of high-repetition rate x-ray free electron lasers (FEL), makes it possible to perform x-ray scattering and emission spectroscopy measurements from thin foils or gasses heated to high-energy density conditions by integrating over many experimental shots. Since the expected signal may be weaker than the typical CCD readout noise over the region-of-interest, it is critical to the success of this approach to use a detector with high-energy resolution so that single x-ray photons may be isolated. We describe a dual channel x-ray spectrometer developed for the Atomic and Molecular Optics endstation at the Linac Coherent Light Source (LCLS)more » for x-ray spectroscopy near the K-edge of aluminum. The spectrometer is based on a pair of curved PET (002) crystals coupled to a single pnCCD detector which simultaneously measures x-ray scattering and emission in the forward and backward directions. Furthermore, the signals from single x-ray photons are accumulated permitting continuous single-shot acquisition at 120 Hz.« less

Measurement of illite particle thickness using a direct Fourier transform of small-angle X-ray scattering data

USGS Publications Warehouse

Shang, Chao; Rice, James A.; Eberl, Dennis D.; Lin, Jar-Shyong

2003-01-01

It has been suggested that interstratified illite-smectite (I-S) minerals are composed of aggregates of fundamental particles. Many attempts have been made to measure the thickness of such fundamental particles, but each of the methods used suffers from its own limitations and uncertainties. Small-angle X-ray scattering (SAXS) can be used to measure the thickness of particles that scatter X-rays coherently. We used SAXS to study suspensions of Na-rectorite and other illites with varying proportions of smectite. The scattering intensity (I) was recorded as a function of the scattering vector, q = (4 /) sin(/2), where  is the X-ray wavelength and  is the scattering angle. The experimental data were treated with a direct Fourier transform to obtain the pair distance distribution function (PDDF) that was then used to determine the thickness of illite particles. The Guinier and Porod extrapolations were used to obtain the scattering intensity beyond the experimental q, and the effects of such extrapolations on the PDDF were examined. The thickness of independent rectorite particles (used as a reference mineral) is 18.3 Å. The SAXS results are compared with those obtained by X-ray diffraction peak broadening methods. It was found that the power-law exponent (α) obtained by fitting the data in the region of q = 0.1-0.6 nm-1 to the power law (I = I0q-α) is a linear function of illite particle thickness. Therefore, illite particle thickness could be predicted by the linear relationship as long as the thickness is within the limit where α <4.0.

A liquid jet setup for x-ray scattering experiments on complex liquids at free-electron laser sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steinke, I.; Lehmkühler, F., E-mail: felix.lehmkuehler@desy.de; Schroer, M. A.

2016-06-15

In this paper we describe a setup for x-ray scattering experiments on complex fluids using a liquid jet. The setup supports Small and Wide Angle X-ray Scattering (SAXS/WAXS) geometries. The jet is formed by a gas-dynamic virtual nozzle (GDVN) allowing for diameters ranging between 1 μm and 20 μm at a jet length of several hundred μm. To control jet properties such as jet length, diameter, or flow rate, the instrument is equipped with several diagnostic tools. Three microscopes are installed to quantify jet dimensions and stability in situ. The setup has been used at several beamlines performing both SAXSmore » and WAXS experiments. As a typical example we show an experiment on a colloidal dispersion in a liquid jet at the X-ray Correlation Spectroscopy instrument at the Linac Coherent Light Source free-electron laser.« less

Time resolved small angle X-ray scattering experiments performed on detonating explosives at the advanced photon source: Calculation of the time and distance between the detonation front and the x-ray beam

DOE PAGES

Gustavsen, Richard L.; Dattelbaum, Dana Mcgraw; Watkins, Erik Benjamin; ...

2017-03-10

Time resolved Small Angle X-ray Scattering (SAXS) experiments on detonating explosives have been conducted at Argonne National Laboratory's Advanced Photon Source Dynamic Compression Sector. The purpose of the experiments is to measure the SAXS patterns at tens of ns to a few μs behind the detonation front. Corresponding positions behind the detonation front are of order 0.1–10 mm. From the scattering patterns, properties of the explosive products relative to the time behind the detonation front can be inferred. Lastly, this report describes how the time and distance from the x-ray probe location to the detonation front is calculated, as wellmore » as the uncertainties and sources of uncertainty associated with the calculated times and distances.« less

Real-time x-ray scattering study of the initial growth of organic crystals on polymer brushes

DOE Office of Scientific and Technical Information (OSTI.GOV)

An, Sung Yup; Ahn, Kwangseok; Kim, Doris Yangsoo

2014-04-21

We studied the early-stage growth structures of pentacene organic crystals grown on polymer brushes using real-time x-ray scattering techniques. In situ x-ray reflectivity and atomic force microscopy analyses revealed that at temperatures close to the glass transition temperature of polymer brush, the pentacene overlayer on a polymer brush film showed incomplete condensation and 3D island structures from the first monolayer. A growth model based on these observations was used to quantitatively analyze the real-time anti-Bragg x-ray scattering intensities measured during pentacene growth to obtain the time-dependent layer coverage of the individual pentacene monolayers. The extracted total coverage confirmed significant desorptionmore » and incomplete condensation in the pentacene films deposited on the polymer brushes. These effects are ascribed to the change in the surface viscoelasticity of the polymer brushes around the glass transition temperature.« less

Monitoring the recrystallisation of amorphous xylitol using Raman spectroscopy and wide-angle X-ray scattering.

PubMed

Palomäki, Emmi; Ahvenainen, Patrik; Ehlers, Henrik; Svedström, Kirsi; Huotari, Simo; Yliruusi, Jouko

2016-07-11

In this paper we present a fast model system for monitoring the recrystallization of quench-cooled amorphous xylitol using Raman spectroscopy and wide-angle X-ray scattering. The use of these two methods enables comparison between surface and bulk crystallization. Non-ordered mesoporous silica micro-particles were added to the system in order to alter the rate of crystallization of the amorphous xylitol. Raman measurements showed that adding silica to the system increased the rate of surface crystallization, while X-ray measurements showed that the rate of bulk crystallization decreased. Using this model system it is possible to measure fast changes, which occur in minutes or within a few hours. Raman-spectroscopy and wide-angle X-ray scattering were found to be complementary techniques when assessing surface and bulk crystallization of amorphous xylitol. Copyright © 2016 Elsevier B.V. All rights reserved.

A liquid jet setup for x-ray scattering experiments on complex liquids at free-electron laser sources

DOE PAGES

Steinke, I.; Walther, M.; Lehmkühler, F.; ...

2016-06-01

In this study we describe a setup for x-ray scattering experiments on complex fluids using a liquid jet. The setup supports Small and Wide Angle X-ray Scattering (SAXS/WAXS) geometries. The jet is formed by a gas-dynamic virtual nozzle (GDVN) allowing for diameters ranging between 1 μm and 20 μm at a jet length of several hundred μm. To control jet properties such as jet length, diameter, or flow rate, the instrument is equipped with several diagnostic tools. Three microscopes are installed to quantify jet dimensions and stability in situ. The setup has been used at several beamlines performing both SAXSmore » and WAXS experiments. Finally, as a typical example we show an experiment on a colloidal dispersion in a liquid jet at the X-ray Correlation Spectroscopy instrument at the Linac Coherent Light Source free-electron laser.« less

Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction

NASA Astrophysics Data System (ADS)

Minitti, M. P.; Budarz, J. M.; Kirrander, A.; Robinson, J. S.; Ratner, D.; Lane, T. J.; Zhu, D.; Glownia, J. M.; Kozina, M.; Lemke, H. T.; Sikorski, M.; Feng, Y.; Nelson, S.; Saita, K.; Stankus, B.; Northey, T.; Hastings, J. B.; Weber, P. M.

2015-06-01

Structural rearrangements within single molecules occur on ultrafast time scales. Many aspects of molecular dynamics, such as the energy flow through excited states, have been studied using spectroscopic techniques, yet the goal to watch molecules evolve their geometrical structure in real time remains challenging. By mapping nuclear motions using femtosecond x-ray pulses, we have created real-space representations of the evolving dynamics during a well-known chemical reaction and show a series of time-sorted structural snapshots produced by ultrafast time-resolved hard x-ray scattering. A computational analysis optimally matches the series of scattering patterns produced by the x rays to a multitude of potential reaction paths. In so doing, we have made a critical step toward the goal of viewing chemical reactions on femtosecond time scales, opening a new direction in studies of ultrafast chemical reactions in the gas phase.

Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction.

PubMed

Minitti, M P; Budarz, J M; Kirrander, A; Robinson, J S; Ratner, D; Lane, T J; Zhu, D; Glownia, J M; Kozina, M; Lemke, H T; Sikorski, M; Feng, Y; Nelson, S; Saita, K; Stankus, B; Northey, T; Hastings, J B; Weber, P M

2015-06-26

Structural rearrangements within single molecules occur on ultrafast time scales. Many aspects of molecular dynamics, such as the energy flow through excited states, have been studied using spectroscopic techniques, yet the goal to watch molecules evolve their geometrical structure in real time remains challenging. By mapping nuclear motions using femtosecond x-ray pulses, we have created real-space representations of the evolving dynamics during a well-known chemical reaction and show a series of time-sorted structural snapshots produced by ultrafast time-resolved hard x-ray scattering. A computational analysis optimally matches the series of scattering patterns produced by the x rays to a multitude of potential reaction paths. In so doing, we have made a critical step toward the goal of viewing chemical reactions on femtosecond time scales, opening a new direction in studies of ultrafast chemical reactions in the gas phase.

Time resolved small angle X-ray scattering experiments performed on detonating explosives at the advanced photon source: Calculation of the time and distance between the detonation front and the x-ray beam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gustavsen, Richard L.; Dattelbaum, Dana Mcgraw; Watkins, Erik Benjamin

Time resolved Small Angle X-ray Scattering (SAXS) experiments on detonating explosives have been conducted at Argonne National Laboratory's Advanced Photon Source Dynamic Compression Sector. The purpose of the experiments is to measure the SAXS patterns at tens of ns to a few μs behind the detonation front. Corresponding positions behind the detonation front are of order 0.1–10 mm. From the scattering patterns, properties of the explosive products relative to the time behind the detonation front can be inferred. Lastly, this report describes how the time and distance from the x-ray probe location to the detonation front is calculated, as wellmore » as the uncertainties and sources of uncertainty associated with the calculated times and distances.« less

In situ X-ray measurements of MOVPE growth of InxGa1-xN single quantum wells

NASA Astrophysics Data System (ADS)

Ju, Guangxu; Fuchi, Shingo; Tabuchi, Masao; Takeda, Yoshikazu

2013-05-01

GaN/InxGa1-xN/GaN single quantum wells (SQWs) have been grown on c-plane GaN/sapphire substrates using MOVPE system. PL (photoluminescence) and AFM (atomic force microscope) measurements demonstrate good quality of after-growth thermal-annealed SQWs. In situ XRD (X-ray diffraction), XRR (X-ray reflectivity), and X-ray CTR (crystal truncation rod) scattering measurements were successfully conducted on the SQWs under the NH3+N2 ambient at 1103 K. The analysis results of the XRR and the X-ray CTR spectra at 1103 K and at 300 K on the same sample matched well. It demonstrated that In0.09Ga0.91N SQW structure with several ML (monolayer) InGaN thicknesses was successfully investigated using the XRR and CTR scattering measurements at 1103 K.

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

NASA Astrophysics Data System (ADS)

Albanese, Kathryn Elizabeth

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

Experimental investigation of a HOPG crystal fan for x-ray fluorescence molecular imaging

NASA Astrophysics Data System (ADS)

Rosentreter, Tanja; Müller, Bernhard; Schlattl, Helmut; Hoeschen, Christoph

2017-03-01

Imaging x-ray fluorescence generally generates a conflict between the best image quality or highest sensitivity and lowest possible radiation dose. Consequently many experimental studies investigating the feasibility of this molecular imaging method, deal with either monochromatic x-ray sources that are not practical in clinical environment or accept high x-ray doses in order to maintain the advantage of high sensitivity and producing high quality images. In this work we present a x-ray fluorescence imaging setup using a HOPG crystal fan construction consisting of a Bragg reflecting analyzer array together with a scatter reducing radial collimator. This method allows for the use of polychromatic x-ray tubes that are in general easily accessible in contrast to monochromatic x-ray sources such as synchrotron facilities. Moreover this energy-selecting device minimizes the amount of Compton scattered photons while simultaneously increasing the fluorescence signal yield, thus significantly reducing the signal to noise ratio. The aim is to show the feasibility of this approach by measuring the Bragg reflected Kα fluorescence signal of an object containing an iodine solution using a large area detector with moderate energy resolution. Contemplating the anisotropic energy distribution of background scattered x-rays we compare the detection sensitivity, applying two different detector angular configurations. Our results show that even for large area detectors with limited energy resolution, iodine concentrations of 0.12 % can be detected. However, the potentially large scan times and therefore high radiation dose need to be decreased in further investigations.

THE ROLE OF THE DIFFUSIVE PROTONS IN THE GAMMA-RAY EMISSION OF SUPERNOVA REMNANT RX J1713.7–3946—A TWO-ZONE MODEL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Xiao; Chen, Yang

2016-04-10

RX J1713.7−3946 is a prototype in the γ-ray-bright supernova remnants (SNRs) and is in continuing debates on its hadronic versus leptonic origin of the γ-ray emission. We explore the role played by the diffusive relativistic protons that escape from the SNR shock wave in the γ-ray emission, apart from the high-energy particles’ emission from the inside of the SNR. In the scenario that the SNR shock propagates in a clumpy molecular cavity, we consider that the γ-ray emission from the inside of the SNR may arise either from the inverse Compton scattering or from the interaction between the trapped energetic protons and themore » shocked clumps. The dominant origin between them depends on the electron-to-proton number ratio. The diffusive protons that escaped from the shock wave during the expansion history can provide an outer hadronic γ-ray component by bombarding the surrounding dense matter. The broadband spectrum can be well explained by this two-zone model, in which the γ-ray emission from the inside governs the TeV band, while the outer emission component substantially contributes to the GeV γ-rays. The two-zone model can also explain the TeV γ-ray radial brightness profile that significantly stretches beyond the nonthermal X-ray-emitting region. In the calculation, we present a simplified algorithm for Li and Chen's “accumulative diffusion” model for escaping protons and apply the Markov Chain Monte Carlo method to constrain the physical parameters.« less

Time-dependent models for blazar emission with the second-order Fermi acceleration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Asano, Katsuaki; Takahara, Fumio; Toma, Kenji

The second-order Fermi acceleration (Fermi-II) driven by turbulence may be responsible for the electron acceleration in blazar jets. We test this model with time-dependent simulations. The hard electron spectrum predicted by the Fermi-II process agrees with the hard photon spectrum of 1ES 1101–232. For other blazars that show softer spectra, the Fermi-II model requires radial evolution of the electron injection rate and/or diffusion coefficient in the outflow. Such evolutions can yield a curved electron spectrum, which can reproduce the synchrotron spectrum of Mrk 421 from the radio to the X-ray regime. The photon spectrum in the GeV energy range ofmore » Mrk 421 is hard to fit with a synchrotron self-Compton model. However, if we introduce an external radio photon field with a luminosity of 4.9 × 10{sup 38} erg s{sup –1}, GeV photons are successfully produced via inverse Compton scattering. The temporal variability of the diffusion coefficient or injection rate causes flare emission. The observed synchronicity of X-ray and TeV flares implies a decrease of the magnetic field in the flaring source region.« less

Soft X-ray radiation damage in EM-CCDs used for Resonant Inelastic X-ray Scattering

NASA Astrophysics Data System (ADS)

Gopinath, D.; Soman, M.; Holland, A.; Keelan, J.; Hall, D.; Holland, K.; Colebrook, D.

2018-02-01

Advancement in synchrotron and free electron laser facilities means that X-ray beams with higher intensity than ever before are being created. The high brilliance of the X-ray beam, as well as the ability to use a range of X-ray energies, means that they can be used in a wide range of applications. One such application is Resonant Inelastic X-ray Scattering (RIXS). RIXS uses the intense and tuneable X-ray beams in order to investigate the electronic structure of materials. The photons are focused onto a sample material and the scattered X-ray beam is diffracted off a high resolution grating to disperse the X-ray energies onto a position sensitive detector. Whilst several factors affect the total system energy resolution, the performance of RIXS experiments can be limited by the spatial resolution of the detector used. Electron-Multiplying CCDs (EM-CCDs) at high gain in combination with centroiding of the photon charge cloud across several detector pixels can lead to sub-pixel spatial resolution of 2-3 μm. X-ray radiation can cause damage to CCDs through ionisation damage resulting in increases in dark current and/or a shift in flat band voltage. Understanding the effect of radiation damage on EM-CCDs is important in order to predict lifetime as well as the change in performance over time. Two CCD-97s were taken to PTB at BESSY II and irradiated with large doses of soft X-rays in order to probe the front and back surfaces of the device. The dark current was shown to decay over time with two different exponential components to it. This paper will discuss the use of EM-CCDs for readout of RIXS spectrometers, and limitations on spatial resolution, together with any limitations on instrument use which may arise from X-ray-induced radiation damage.

Experimental Approaches for Solution X-Ray Scattering and Fiber Diffraction

PubMed Central

Irving, T. C.

2008-01-01

X-ray scattering and diffraction from non-crystalline systems have gained renewed interest in recent years, as focus shifts from the structural chemistry information gained by high-resolution studies to the context of structural physiology at larger length scales. Such techniques permit the study of isolated macromolecules as well as highly organized macromolecular assemblies as a whole under near-physiological conditions. Time-resolved approaches, made possible by advanced synchrotron instrumentation, add a critical dimension to many of these investigations. This article reviews experimental approaches in non-crystalline x-ray scattering and diffraction that may be used to illuminate important scientific questions such as protein/nucleic acid folding and structure-function relationships in large macromolecular assemblies. PMID:18801437

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suvorov, Alexey; Cai, Yong Q.

A concept of an inelastic x-ray scattering (IXS) spectrograph with an imaging analyzer was proposed recently and discussed in a number of publications (see e.g. Ref.1). The imaging analyzer as proposed combines x-ray lenses with highly dispersive crystal optics. It allows conversion of the x-ray energy spectrum into a spatial image with very high energy resolution. However, the presented theoretical analysis of the spectrograph did not take into account details of the scattered radiation source, i.e. sample, and its impact on the spectrograph performance. Using numerical simulations we investigated the influence of the finite sample thickness, the scattering angle andmore » the incident energy detuning on the analyzer image and the ultimate resolution.« less

A high spatial resolution X-ray and Hα study of hot gas in the halos of star-forming disk galaxies -- testing feedback models

NASA Astrophysics Data System (ADS)

Strickland, D. K.; Heckman, T. M.; Colbert, E. J. M.; Hoopes, C. G.; Weaver, K. A.

2002-12-01

We present arcsecond resolution Chandra X-ray and ground-based optical Hα imaging of a sample of ten edge-on star-forming disk galaxies (seven starburst and three ``normal'' spiral galaxies), a sample which covers the full range of star-formation intensity found in disk galaxies. The X-ray observations make use of the unprecented spatial resolution of the Chandra X-ray observatory to robustly remove X-ray emission from point sources, and hence obtain the X-ray properties of the diffuse thermal emission alone. This data has been combined with existing, comparable-resolution, ground-based Hα imaging. We compare these empirically-derived diffuse X-ray properties with various models for the generation of hot gas in the halos of star-forming galaxies: supernova feedback-based models (starburst-driven winds, galactic fountains), cosmologically-motivated accretion of the IGM and AGN-driven winds. SN feedback models best explain the observed diffuse X-ray emission. We then use the data to test basic, but fundamental, aspects of wind and fountain theories, e.g. the critical energy required for disk "break-out." DKS is supported by NASA through Chandra Postdoctoral Fellowship Award Number PF0-10012.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poutanen, Juri, E-mail: juri.poutanen@utu.fi

Rosseland mean opacity plays an important role in theories of stellar evolution and X-ray burst models. In the high-temperature regime, when most of the gas is completely ionized, the opacity is dominated by Compton scattering. Our aim here is to critically evaluate previous works on this subject and to compute the exact Rosseland mean opacity for Compton scattering over a broad range of temperature and electron degeneracy parameter. We use relativistic kinetic equations for Compton scattering and compute the photon mean free path as a function of photon energy by solving the corresponding integral equation in the diffusion limit. Asmore » a byproduct we also demonstrate the way to compute photon redistribution functions in the case of degenerate electrons. We then compute the Rosseland mean opacity as a function of temperature and electron degeneracy and present useful approximate expressions. We compare our results to previous calculations and find a significant difference in the low-temperature regime and strong degeneracy. We then proceed to compute the flux mean opacity in both free-streaming and diffusion approximations, and show that the latter is nearly identical to the Rosseland mean opacity. We also provide a simple way to account for the true absorption in evaluating the Rosseland and flux mean opacities.« less

X-ray Thomson scattering measurement of temperature in warm dense carbon

DOE PAGES

Falk, Katerina; Fryer, C. L.; Gamboa, E. J.; ...

2016-11-22

Here, a novel platform to measure the equation of state using a combination of diagnostics, where the spectrally resolved x-ray Thomson scattering (XRTS) is used to obtain accurate temperature measurements of warm dense matter (WDM) was developed for the OMEGA laser facility. OMEGA laser beams have been used to drive strong shocks in carbon targets creating WDM and generating the Ni He-alpha x-ray probe used for XRTS. Additional diagnostics including x-ray radiography, velocity interferometry and streaked optical pyrometry provided complementary measurements of density and pressure. The WDM regime of near solid density and moderate temperatures (1–100 eV) is a challengingmore » yet important area of research in inertial confinement fusion and astrophysics. This platform has been used to study off-Hugoniot states of shock-released diamond and graphite at pressures between 1 and 10 Mbar and temperatures between 5 and 15 eV as well as first x-ray Thomson scattering data from shocked low density CH foams reaching five times compression and temperatures of 20–30 eV.« less

Photon statistics and speckle visibility spectroscopy with partially coherent X-rays.

PubMed

Li, Luxi; Kwaśniewski, Paweł; Orsi, Davide; Wiegart, Lutz; Cristofolini, Luigi; Caronna, Chiara; Fluerasu, Andrei

2014-11-01

A new approach is proposed for measuring structural dynamics in materials from multi-speckle scattering patterns obtained with partially coherent X-rays. Coherent X-ray scattering is already widely used at high-brightness synchrotron lightsources to measure dynamics using X-ray photon correlation spectroscopy, but in many situations this experimental approach based on recording long series of images (i.e. movies) is either not adequate or not practical. Following the development of visible-light speckle visibility spectroscopy, the dynamic information is obtained instead by analyzing the photon statistics and calculating the speckle contrast in single scattering patterns. This quantity, also referred to as the speckle visibility, is determined by the properties of the partially coherent beam and other experimental parameters, as well as the internal motions in the sample (dynamics). As a case study, Brownian dynamics in a low-density colloidal suspension is measured and an excellent agreement is found between correlation functions measured by X-ray photon correlation spectroscopy and the decay in speckle visibility with integration time obtained from the analysis presented here.

Generation of bright attosecond x-ray pulse trains via Thomson scattering from laser-plasma accelerators.

PubMed

Luo, W; Yu, T P; Chen, M; Song, Y M; Zhu, Z C; Ma, Y Y; Zhuo, H B

2014-12-29

Generation of attosecond x-ray pulse attracts more and more attention within the advanced light source user community due to its potentially wide applications. Here we propose an all-optical scheme to generate bright, attosecond hard x-ray pulse trains by Thomson backscattering of similarly structured electron beams produced in a vacuum channel by a tightly focused laser pulse. Design parameters for a proof-of-concept experiment are presented and demonstrated by using a particle-in-cell code and a four-dimensional laser-Compton scattering simulation code to model both the laser-based electron acceleration and Thomson scattering processes. Trains of 200 attosecond duration hard x-ray pulses holding stable longitudinal spacing with photon energies approaching 50 keV and maximum achievable peak brightness up to 10²⁰ photons/s/mm²/mrad²/0.1%BW for each micro-bunch are observed. The suggested physical scheme for attosecond x-ray pulse trains generation may directly access the fastest time scales relevant to electron dynamics in atoms, molecules and materials.

Scattering from fractals

NASA Astrophysics Data System (ADS)

Hurd, Alan J.

The realization that structures in Nature often can be described by Mandelbrot's fractals has led to a revolution in many areas of physics. The interaction of waves with fractal systems has, understandably, become intensely studied since scattering is the method of choice to probe delicate fractal structures such as chainlike particle aggregates. Not all of these waves are electromagnetic. Neutron scattering, for example, is an important complementary tool to structural studies by X-ray and light scattering. Since the phenomenology of small-angle neutron scattering (SANS), as it is applied to fractal systems, is identical to that of small-angle X-ray scattering (SAXS), it falls within the scope of this paper.

Simbol-X Mirror Module Thermal Shields: II-Small Angle X-Ray Scattering Measurements

NASA Astrophysics Data System (ADS)

Barbera, M.; Ayers, T.; Collura, A.; Nasillo, G.; Pareschi, G.; Tagliaferri, G.

2009-05-01

The formation flight configuration of the Simbol-X mission implies that the X-ray mirror module will be open to Space on both ends. In order to reduce the power required to maintain the thermal stability and, therefore, the high angular resolution of the shell optics, a thin foil thermal shield will cover the mirror module. Different options are presently being studied for the foil material of these shields. We report results of an experimental investigation conducted to verify that the scattering of X-rays, by interaction with the thin foil material of the thermal shield, will not significantly affect the performances of the telescope.

Analyzing For Light Elements By X-Ray Scattering

NASA Technical Reports Server (NTRS)

Ross, H. Richard

1993-01-01

Nondestructive method of determining concentrations of low-atomic-number elements in liquids and solids involves measurements of Compton and Rayleigh scattering of x rays. Applied in quantitative analysis of low-atomic-number constituents of alloys, of contaminants and corrosion products on surfaces of alloys, and of fractions of hydrogen in plastics, oils, and solvents.

A wavelet analysis for the X-ray absorption spectra of molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Penfold, T. J.; Ecole polytechnique Federale de Lausanne, Laboratoire de chimie et biochimie computationnelles, ISIC, FSB-BCH, CH-1015 Lausanne; SwissFEL, Paul Scherrer Inst, CH-5232 Villigen

2013-01-07

We present a Wavelet transform analysis for the X-ray absorption spectra of molecules. In contrast to the traditionally used Fourier transform approach, this analysis yields a 2D correlation plot in both R- and k-space. As a consequence, it is possible to distinguish between different scattering pathways at the same distance from the absorbing atom and between the contributions of single and multiple scattering events, making an unambiguous assignment of the fine structure oscillations for complex systems possible. We apply this to two previously studied transition metal complexes, namely iron hexacyanide in both its ferric and ferrous form, and a rheniummore » diimine complex, [ReX(CO){sub 3}(bpy)], where X = Br, Cl, or ethyl pyridine (Etpy). Our results demonstrate the potential advantages of using this approach and they highlight the importance of multiple scattering, and specifically the focusing phenomenon to the extended X-ray absorption fine structure (EXAFS) spectra of these complexes. We also shed light on the low sensitivity of the EXAFS spectrum to the Re-X scattering pathway.« less

Measurement of high-dynamic range x-ray Thomson scattering spectra for the characterization of nano-plasmas at LCLS

DOE PAGES

MacDonald, M. J.; Gorkhover, T.; Bachmann, B.; ...

2016-08-08

Atomic clusters can serve as ideal model systems for exploring ultrafast (~100 fs) laser-driven ionization dynamics of dense matter on the nanometer scale. Resonant absorption of optical laser pulses enables heating to temperatures on the order of 1 keV at near solid density conditions. To date, direct probing of transient states of such nano plasmas was limited to coherent x-ray imaging. Here we present the first measurement of spectrally-resolved incoherent x-ray scattering from clusters, enabling measurements of transient temperature, densities and ionization. Single shot x-ray Thomson scatterings signals were recorded at 120 Hz using a crystal spectrometer in combination withmore » a single-photon counting and energy-dispersive pnCCD. A precise pump laser collimation scheme enabled recording near background-free scattering spectra from Ar clusters with an unprecedented dynamic range of more than 3 orders of magnitude. As a result, such measurements are important for understanding collective effects in laser-matter interactions on femtosecond timescales, opening new routes for the development of schemes for their ultrafast control.« less

Measurement of high-dynamic range x-ray Thomson scattering spectra for the characterization of nano-plasmas at LCLS

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacDonald, M. J., E-mail: macdonm@umich.edu; SLAC National Accelerator Laboratory, Menlo Park, California 94025; Gorkhover, T.

2016-11-15

Atomic clusters can serve as ideal model systems for exploring ultrafast (∼100 fs) laser-driven ionization dynamics of dense matter on the nanometer scale. Resonant absorption of optical laser pulses enables heating to temperatures on the order of 1 keV at near solid density conditions. To date, direct probing of transient states of such nano-plasmas was limited to coherent x-ray imaging. Here we present the first measurement of spectrally resolved incoherent x-ray scattering from clusters, enabling measurements of transient temperature, densities, and ionization. Single shot x-ray Thomson scattering signals were recorded at 120 Hz using a crystal spectrometer in combination withmore » a single-photon counting and energy-dispersive pnCCD. A precise pump laser collimation scheme enabled recording near background-free scattering spectra from Ar clusters with an unprecedented dynamic range of more than 3 orders of magnitude. Such measurements are important for understanding collective effects in laser-matter interactions on femtosecond time scales, opening new routes for the development of schemes for their ultrafast control.« less

Diagnosing and Mapping Pulmonary Emphysema on X-Ray Projection Images: Incremental Value of Grating-Based X-Ray Dark-Field Imaging

PubMed Central

Meinel, Felix G.; Schwab, Felix; Schleede, Simone; Bech, Martin; Herzen, Julia; Achterhold, Klaus; Auweter, Sigrid; Bamberg, Fabian; Yildirim, Ali Ö.; Bohla, Alexander; Eickelberg, Oliver; Loewen, Rod; Gifford, Martin; Ruth, Ronald; Reiser, Maximilian F.; Pfeiffer, Franz; Nikolaou, Konstantin

2013-01-01

Purpose To assess whether grating-based X-ray dark-field imaging can increase the sensitivity of X-ray projection images in the diagnosis of pulmonary emphysema and allow for a more accurate assessment of emphysema distribution. Materials and Methods Lungs from three mice with pulmonary emphysema and three healthy mice were imaged ex vivo using a laser-driven compact synchrotron X-ray source. Median signal intensities of transmission (T), dark-field (V) and a combined parameter (normalized scatter) were compared between emphysema and control group. To determine the diagnostic value of each parameter in differentiating between healthy and emphysematous lung tissue, a receiver-operating-characteristic (ROC) curve analysis was performed both on a per-pixel and a per-individual basis. Parametric maps of emphysema distribution were generated using transmission, dark-field and normalized scatter signal and correlated with histopathology. Results Transmission values relative to water were higher for emphysematous lungs than for control lungs (1.11 vs. 1.06, p<0.001). There was no difference in median dark-field signal intensities between both groups (0.66 vs. 0.66). Median normalized scatter was significantly lower in the emphysematous lungs compared to controls (4.9 vs. 10.8, p<0.001), and was the best parameter for differentiation of healthy vs. emphysematous lung tissue. In a per-pixel analysis, the area under the ROC curve (AUC) for the normalized scatter value was significantly higher than for transmission (0.86 vs. 0.78, p<0.001) and dark-field value (0.86 vs. 0.52, p<0.001) alone. Normalized scatter showed very high sensitivity for a wide range of specificity values (94% sensitivity at 75% specificity). Using the normalized scatter signal to display the regional distribution of emphysema provides color-coded parametric maps, which show the best correlation with histopathology. Conclusion In a murine model, the complementary information provided by X-ray transmission and dark-field images adds incremental diagnostic value in detecting pulmonary emphysema and visualizing its regional distribution as compared to conventional X-ray projections. PMID:23555692

Diagnosing and mapping pulmonary emphysema on X-ray projection images: incremental value of grating-based X-ray dark-field imaging.

PubMed

Meinel, Felix G; Schwab, Felix; Schleede, Simone; Bech, Martin; Herzen, Julia; Achterhold, Klaus; Auweter, Sigrid; Bamberg, Fabian; Yildirim, Ali Ö; Bohla, Alexander; Eickelberg, Oliver; Loewen, Rod; Gifford, Martin; Ruth, Ronald; Reiser, Maximilian F; Pfeiffer, Franz; Nikolaou, Konstantin

2013-01-01

To assess whether grating-based X-ray dark-field imaging can increase the sensitivity of X-ray projection images in the diagnosis of pulmonary emphysema and allow for a more accurate assessment of emphysema distribution. Lungs from three mice with pulmonary emphysema and three healthy mice were imaged ex vivo using a laser-driven compact synchrotron X-ray source. Median signal intensities of transmission (T), dark-field (V) and a combined parameter (normalized scatter) were compared between emphysema and control group. To determine the diagnostic value of each parameter in differentiating between healthy and emphysematous lung tissue, a receiver-operating-characteristic (ROC) curve analysis was performed both on a per-pixel and a per-individual basis. Parametric maps of emphysema distribution were generated using transmission, dark-field and normalized scatter signal and correlated with histopathology. Transmission values relative to water were higher for emphysematous lungs than for control lungs (1.11 vs. 1.06, p<0.001). There was no difference in median dark-field signal intensities between both groups (0.66 vs. 0.66). Median normalized scatter was significantly lower in the emphysematous lungs compared to controls (4.9 vs. 10.8, p<0.001), and was the best parameter for differentiation of healthy vs. emphysematous lung tissue. In a per-pixel analysis, the area under the ROC curve (AUC) for the normalized scatter value was significantly higher than for transmission (0.86 vs. 0.78, p<0.001) and dark-field value (0.86 vs. 0.52, p<0.001) alone. Normalized scatter showed very high sensitivity for a wide range of specificity values (94% sensitivity at 75% specificity). Using the normalized scatter signal to display the regional distribution of emphysema provides color-coded parametric maps, which show the best correlation with histopathology. In a murine model, the complementary information provided by X-ray transmission and dark-field images adds incremental diagnostic value in detecting pulmonary emphysema and visualizing its regional distribution as compared to conventional X-ray projections.

Development of Si-APD Timing Detectors for Nuclear Resonant Scattering using High-energy Synchrotron X-rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kishimoto, Shunji; Zhang Xiaowei; Yoda, Yoshitaka

2007-01-19

A timing detector with silicon avalanche photodiodes (Si-APDs) has been developed for nuclear resonant scattering using synchrotron x-rays. The detector had four pairs of a germanium plate 0.1mm thick and a Si-APD (3 mm in dia., a depletion layer of 30-{mu}m thickness). Using synchrotron x-rays of 67.4 keV, the efficiency increased to 1.5% for the incident beam, while the efficiency was 0.76 % without the germanium converters. A measurement of SR-PAC on Ni-61 was executed by using the detector. Some other types of timing detectors are planned for x-rays of E>20 keV.

Cryogenic x-ray diffraction microscopy utilizing high-pressure cryopreservation

NASA Astrophysics Data System (ADS)

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

2014-10-01

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

Diagnostic X-ray sources-present and future

NASA Astrophysics Data System (ADS)

Behling, Rolf; Grüner, Florian

2018-01-01

This paper compares very different physical principles of X-ray production to spur ideation. Since more than 120 years, bremsstrahlung from X-ray tubes has been the workhorse of medical diagnostics. Generated by X-ray segments comprised of X-ray tubes and high-voltage generators in the various medical systems, X-ray photons in the spectral range between about 16 keV and 150 keV deliver information about anatomy and function of human patients and in pre-clinical animal studies. Despite of strides to employ the wave nature of X-rays as phase sensitive means, commercial diagnostic X-ray systems available until the time of writing still rely exclusively on measuring the attenuation and scattering of X-rays by matter. Significant activities in research aim at building highly brilliant short pulse X-ray sources, based on e.g. synchrotron radiation, free electron lasers and/or laser wake-field acceleration of electrons followed by wiggling with magnetic structures or Thomson scattering in bunches of light. While both approaches, non-brilliant and brilliant sources, have different scope of application, we speculate that a combination may expand the efficacy in medical application. At this point, however, severe technical and commercial difficulties hinder closing this gap. This article may inspire further development and spark innovation in this important field.

High flux, narrow bandwidth compton light sources via extended laser-electron interactions

DOEpatents

Barty, V P

2015-01-13

New configurations of lasers and electron beams efficiently and robustly produce high flux beams of bright, tunable, polarized quasi-monoenergetic x-rays and gamma-rays via laser-Compton scattering. Specifically, the use of long-duration, pulsed lasers and closely-spaced, low-charge and low emittance bunches of electron beams increase the spectral flux of the Compton-scattered x-rays and gamma rays, increase efficiency of the laser-electron interaction and significantly reduce the overall complexity of Compton based light sources.

Single-crystal diffuse scattering studies on polymorphs of molecular crystals. I. The room-temperature polymorphs of the drug benzocaine.

PubMed

Chan, E J; Welberry, T R; Goossens, D J; Heerdegen, A P; Beasley, A G; Chupas, P J

2009-06-01

The drug benzocaine (ethyl 4-aminobenzoate), commonly used as a local anaesthetic, is a bimorphic solid at room temperature. Form (I) is monoclinic P2(1)/c, while the metastable form (II) is orthorhombic P2(1)2(1)2(1). Three-dimensional diffuse X-ray scattering data have been collected for the two forms on the 11-ID-B beamline at the Advanced Photon Source (APS). Both forms show strong and highly structured diffuse scattering. The data have been interpreted and analysed using Monte Carlo (MC) modelling on the basis that the scattering is purely thermal in origin and indicates the presence of highly correlated molecular motions. In both forms (I) and (II) broad diffuse streaks are observed in the 0kl section which indicate strong longitudinal displacement correlations between molecules in the 031 directions, extending over distances of up to 50 A. Streaks extending between Bragg peaks in the hk0 section normal to [100] correspond to correlated motions of chains of molecules extending along a that are linked by N-H...O=C hydrogen bonds and which occur together as coplanar ribbon pairs. The main difference between the two forms is in the dynamical behaviour of the ribbon pairs and in particular how they are able to slide relative to each other. While for form (I) a model involving harmonic springs is able to describe the motion satisfactorily, as simple excursions away from the average structure, there is evidence in form (II) of anharmonic effects that are precursors of a phase transition to a new low-temperature phase, form (III), that was subsequently found.

Inelastic X-ray Scattering Measurements of Ionization in Warm, Dense Matter

NASA Astrophysics Data System (ADS)

Davis, Paul F.

In this work we demonstrate spectrally resolved x-ray scattering from electron-plasma waves in shock-compressed deuterium and proton-heated matter. Because the spectral signature of inelastic x-ray scattering is strongly dependent on the free electron density of the system, it is used to infer ionization in dynamically heated samples. Using 2-6 ns, 500 J laser pulses from LLNL's Janus laser, we shocked liquid deuterium to pressures approaching 50 GPa, reaching compressions of 4 times liquid density. A second laser produced intense 2 keV x-rays. By collecting and spectrally dispersing forward scattered photons at 45°, the onset of ionization was detected at compressions of about 3 times in the form of plasmon oscillations. Backscattered x-rays bolstered this observation by measuring the free electron distribution through Compton scattering. Comparison with simulations shows very close agreement between the pressure dependence of ionization and molecular dissociation in dynamically compressed deuterium. In a second set of experiments, a 10 ps, 200 J Titan laser pulse was split into two beams. One created a stream of MeV protons to heat samples of boron and boron-nitride and the other pumped 4.5 keV K-alpha radiation in a titanium foil to probe the hot target. We observed scattered x-rays 300 ps after heating, noting a strong difference in average ionization between the two target materials at temperatures of 16 eV and very similar mass densities. Comparison with electron structure calculations suggests that this difference is due to a persistence of long-range ion structure in BN resulting in high-temperature band structure. These results underscore the importance of understanding the complex electron structure of materials even at electron-volt temperatures and gigapascal pressures. Our results provide new data to guide the theoretical modeling of warm, dense matter important to understanding giant planets and inertial fusion targets.

Some Like it Hot: Linking Diffuse X-Ray Luminosity, Baryonic Mass, and Star Formation Rate in Compact Groups of Galaxies

NASA Technical Reports Server (NTRS)

Desjardins, Tyler D.; Gallagher, Sarah C.; Hornschemeier, Ann E.; Mulchaey, John S.; Walker, Lisa May; Brandt, Willian N.; Charlton, Jane C.; Johnson, Kelsey E.; Tzanavaris, Panayiotis

2014-01-01

We present an analysis of the diffuse X-ray emission in 19 compact groups (CGs) of galaxies observed with Chandra. The hottest, most X-ray luminous CGs agree well with the galaxy cluster X-ray scaling relations in L(x-T) and (L(x-sigma), even in CGs where the hot gas is associated with only the brightest galaxy. Using Spitzer photometry, we compute stellar masses and classify Hickson CGs 19, 22, 40, and 42, and RSCGs 32, 44, and 86 as fossil groups using a new definition for fossil systems that includes a broader range of masses. We find that CGs with total stellar and Hi masses are great than or equal to 10(sup (11.3) solar mass are often X-ray luminous, while lower-mass CGs only sometimes exhibit faint, localized X-ray emission. Additionally, we compare the diffuse X-ray luminosity against both the total UV and 24 micron star formation rates of each CG and optical colors of the most massive galaxy in each of the CGs. The most X-ray luminous CGs have the lowest star formation rates, likely because there is no cold gas available for star formation, either because the majority of the baryons in these CGs are in stars or the X-ray halo, or due togas stripping from the galaxies in CGs with hot halos. Finally, the optical colors that trace recent star formation histories of the most massive group galaxies do not correlate with the X-ray luminosities of the CGs, indicating that perhaps the current state of the X-ray halos is independent of the recent history of stellar mass assembly in the most massive galaxies.

Reply to Comment on X-ray resonant scattering studies of orbital and charge ordering in Pr[sub 1-x]Ca[sub x]MnO[sub 3].

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zimmermann, M. V.; Grenier, S.; Nelson, C. S.

2003-09-01

The interpretation given in our recent x-ray scattering study of Pr{sub 1-x}Ca{sub x}MnO{sub 3} in terms of charge and orbital ordering is questioned in the preceding Comment by Garcia and Subias. They argue that anisotropy of the charge distribution induced by local distortions gives rise to the so-called charge order reflections. In this Reply we suggest that the two different pictures are reconcilable.

X-ray astronomy from Uhuru to HEAO-1

NASA Technical Reports Server (NTRS)

Clark, G. W.

1981-01-01

The nature of galactic and extragalactic X-ray sources is investigated using observations made with nine satellites and several rockets. The question of X-ray pulsars being neutron stars or white dwarfs is considered, as is the nature of Population II and low-luminosity X-ray stars, the diffuse X-ray emission from clusters of galaxies, the unidentified high-galactic-latitude (UHGL) sources, and the unresolved soft X-ray background. The types of sources examined include binary pulsars, Population II X-ray stars (both nonbursters and bursters) inside and outside globular clusters, coronal X-ray emitters, and active galactic nuclei. It is concluded that: (1) X-ray pulsars are strongly magnetized neutron stars formed in the evolution of massive close binaries; (2) all Population II X-ray stars are weakly magnetized or nonmagnetic neutron stars accreting from low-mass companions in close binary systems; (3) the diffuse emission from clusters is thermal bremsstrahlung of hot matter processed in stars and swept out by ram pressure exerted by the intergalactic gas; (4) most or all of the UHGL sources are active galactic nuclei; and (5) the soft X-ray background is emission from a hot component of the interstellar medium.

Investigating the Defect Structures in Transparent Conducting Oxides Using X-ray and Neutron Scattering Techniques

PubMed Central

González, Gabriela B.

2012-01-01

Transparent conducting oxide (TCO) materials are implemented into a wide variety of commercial devices because they possess a unique combination of high optical transparency and high electrical conductivity. Created during the processing of the TCOs, defects within the atomic-scale structure are responsible for their desirable optical and electrical properties. Therefore, studying the defect structure is essential to a better understanding of the behavior of transparent conductors. X-ray and neutron scattering techniques are powerful tools to investigate the atomic lattice structural defects in these materials. This review paper presents some of the current developments in the study of structural defects in n-type TCOs using x-ray diffraction (XRD), neutron diffraction, extended x-ray absorption fine structure (EXAFS), pair distribution functions (PDFs), and x-ray fluorescence (XRF). PMID:28817010

Waiting in the Wings: Reflected X-ray Emission from the Homunculus Nebula

NASA Technical Reports Server (NTRS)

Corcoran, M. F.; Hamaguchi, K.; Gull, T.; Davidson, K.; Petre, R.; Hillier, D. J.; Smith, N.; Damineli, A.; Morse, J. A.; Walborn, N. R.

2004-01-01

We report the first detection of X-ray emission associated with the Homunculus Nebula which surrounds the supermassive star eta Carinae. The emission is characterized by a temperature in excess of 100 MK, and is consistent with scattering of the time-delayed X-ray flux associated with the star. The nebular emission is bright in the northwestern lobe and near the central regions of the Homunculus, and fainter in the southeastern lobe. We also report the detection of an unusually broad Fe K fluorescent line, which may indicate fluorescent scattering off the wind of a companion star or some other high velocity outflow. The X-ray Homunculus is the nearest member of the small class of Galactic X-ray reflection nebulae, and the only one in which both the emitting and reflecting sources are distinguishable.

Flat panel X-ray detector with reduced internal scattering for improved attenuation accuracy and dynamic range

DOEpatents

Smith, Peter D [Santa Fe, NM; Claytor, Thomas N [White Rock, NM; Berry, Phillip C [Albuquerque, NM; Hills, Charles R [Los Alamos, NM

2010-10-12

An x-ray detector is disclosed that has had all unnecessary material removed from the x-ray beam path, and all of the remaining material in the beam path made as light and as low in atomic number as possible. The resulting detector is essentially transparent to x-rays and, thus, has greatly reduced internal scatter. The result of this is that x-ray attenuation data measured for the object under examination are much more accurate and have an increased dynamic range. The benefits of this improvement are that beam hardening corrections can be made accurately, that computed tomography reconstructions can be used for quantitative determination of material properties including density and atomic number, and that lower exposures may be possible as a result of the increased dynamic range.

Structure of the Circumnuclear Region of Seyfert 2 Galaxies Revealed by RXTE Hard X-Ray Observations of NGC 4945

NASA Technical Reports Server (NTRS)

Madejski, G.; Zycki, P.; Done, C.; Valinia, A.; Blanco, P.; Rothschild, R.; Turek, B.

2000-01-01

NGC 4945 is one of the brightest Se.yfert galaxies on the sky at 100 keV, but is completely absorbed below 10 keV, implying an optical depth of the absorber to electron scattering of a few; its absorption column is probably the largest which still allows a direct view of the nucleus at hard X-ray energies. Our observations of it with the Rossi X-ray Timing Explorer (RXTE) satellite confirm the large absorption, which for a simple phenomenological fit using an absorber with Solar abundances implies a column of 4.5(sup 0.4, sub -0.4) x 10(exp 24) /sq cm. Using a a more realistic scenario (requiring Monte Carlo modeling of the scattering), we infer the optical depth to Thomson scattering of approximately 2.4. If such a scattering medium were to subtend a large solid angle from the nucleus, it should smear out any intrinsic hard X-ray variability on time scales shorter than the light travel time through it. The rapid (with a time scale of approximately a day) hard X-ray variability of NGC 4945 we observed with the RXTE implies that the bulk of the extreme absorption in this object does not originate in a parsec-size, geometrically thick molecular torus. Limits on the amount of scattered flux require that the optically thick material on parsec scales must be rather geometrically thin, subtending a half-angle < 10 deg. This is only marginally consistent with the recent determinations of the obscuring column in hard X-rays, where only a quarter of Seyfert 2s have columns which are optically thick, and presents a problem in accounting for the Cosmic X-ray Background primarily with AGN possessing the geometry as that inferred by us. The small solid angle of the obscuring material, together with the black hole mass (of approximately 1.4 x 10(exp 6) solar mass) from megamaser measurements. allows a robust determination of the source luminosity, which in turn implies that the source radiates at approximately 10% of the Eddington limit.

Correction of nonuniform attenuation and image fusion in SPECT imaging by means of separate X-ray CT.

PubMed

Kashiwagi, Toru; Yutani, Kenji; Fukuchi, Minoru; Naruse, Hitoshi; Iwasaki, Tadaaki; Yokozuka, Koichi; Inoue, Shinichi; Kondo, Shoji

2002-06-01

Improvements in image quality and quantitation measurement, and the addition of detailed anatomical structures are important topics for single-photon emission tomography (SPECT). The goal of this study was to develop a practical system enabling both nonuniform attenuation correction and image fusion of SPECT images by means of high-performance X-ray computed tomography (CT). A SPECT system and a helical X-ray CT system were placed next to each other and linked with Ethernet. To avoid positional differences between the SPECT and X-ray CT studies, identical flat patient tables were used for both scans; body distortion was minimized with laser beams from the upper and lateral directions to detect the position of the skin surface. For the raw projection data of SPECT, a scatter correction was performed with the triple energy window method. Image fusion of the X-ray CT and SPECT images was performed automatically by auto-registration of fiducial markers attached to the skin surface. After registration of the X-ray CT and SPECT images, an X-ray CT-derived attenuation map was created with the calibration curve for 99mTc. The SPECT images were then reconstructed with scatter and attenuation correction by means of a maximum likelihood expectation maximization algorithm. This system was evaluated in torso and cylindlical phantoms and in 4 patients referred for myocardial SPECT imaging with Tc-99m tetrofosmin. In the torso phantom study, the SPECT and X-ray CT images overlapped exactly on the computer display. After scatter and attenuation correction, the artifactual activity reduction in the inferior wall of the myocardium improved. Conversely, the incresed activity around the torso surface and the lungs was reduced. In the abdomen, the liver activity, which was originally uniform, had recovered after scatter and attenuation correction processing. The clinical study also showed good overlapping of cardiac and skin surface outlines on the fused SPECT and X-ray CT images. The effectiveness of the scatter and attenuation correction process was similar to that observed in the phantom study. Because the total time required for computer processing was less than 10 minutes, this method of attenuation correction and image fusion for SPECT images is expected to become popular in clinical practice.

Developing a CCD camera with high spatial resolution for RIXS in the soft X-ray range

NASA Astrophysics Data System (ADS)

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

2013-12-01

The Super Advanced X-ray Emission Spectrometer (SAXES) at the Swiss Light Source contains a high resolution Charge-Coupled Device (CCD) camera used for Resonant Inelastic X-ray Scattering (RIXS). Using the current CCD-based camera system, the energy-dispersive spectrometer has an energy resolution (E/ΔE) of approximately 12,000 at 930 eV. A recent study predicted that through an upgrade to the grating and camera system, the energy resolution could be improved by a factor of 2. In order to achieve this goal in the spectral domain, the spatial resolution of the CCD must be improved to better than 5 μm from the current 24 μm spatial resolution (FWHM). The 400 eV-1600 eV energy X-rays detected by this spectrometer primarily interact within the field free region of the CCD, producing electron clouds which will diffuse isotropically until they reach the depleted region and buried channel. This diffusion of the charge leads to events which are split across several pixels. Through the analysis of the charge distribution across the pixels, various centroiding techniques can be used to pinpoint the spatial location of the X-ray interaction to the sub-pixel level, greatly improving the spatial resolution achieved. Using the PolLux soft X-ray microspectroscopy endstation at the Swiss Light Source, a beam of X-rays of energies from 200 eV to 1400 eV can be focused down to a spot size of approximately 20 nm. Scanning this spot across the 16 μm square pixels allows the sub-pixel response to be investigated. Previous work has demonstrated the potential improvement in spatial resolution achievable by centroiding events in a standard CCD. An Electron-Multiplying CCD (EM-CCD) has been used to improve the signal to effective readout noise ratio achieved resulting in a worst-case spatial resolution measurement of 4.5±0.2 μm and 3.9±0.1 μm at 530 eV and 680 eV respectively. A method is described that allows the contribution of the X-ray spot size to be deconvolved from these worst-case resolution measurements, estimating the spatial resolution to be approximately 3.5 μm and 3.0 μm at 530 eV and 680 eV, well below the resolution limit of 5 μm required to improve the spectral resolution by a factor of 2.

DetOx: a program for determining anomalous scattering factors of mixed-oxidation-state species.

PubMed

Sutton, Karim J; Barnett, Sarah A; Christensen, Kirsten E; Nowell, Harriott; Thompson, Amber L; Allan, David R; Cooper, Richard I

2013-01-01

Overlapping absorption edges will occur when an element is present in multiple oxidation states within a material. DetOx is a program for partitioning overlapping X-ray absorption spectra into contributions from individual atomic species and computing the dependence of the anomalous scattering factors on X-ray energy. It is demonstrated how these results can be used in combination with X-ray diffraction data to determine the oxidation state of ions at specific sites in a mixed-valance material, GaCl(2).

p-Type dopant incorporation and surface charge properties of catalyst-free GaN nanowires revealed by micro-Raman scattering and X-ray photoelectron spectroscopy.

PubMed

Wang, Q; Liu, X; Kibria, M G; Zhao, S; Nguyen, H P T; Li, K H; Mi, Z; Gonzalez, T; Andrews, M P

2014-09-07

Micro-Raman scattering and X-ray photoelectron spectroscopy were employed to investigate Mg-doped GaN nanowires. With the increase of Mg doping level, pronounced Mg-induced local vibrational modes were observed. The evolution of longitudinal optical phonon-plasmon coupled mode, together with detailed X-ray photoelectron spectroscopy studies, show that the near-surface region of nanowires can be transformed from weakly n-type to p-type with the increase of Mg doping.

Conformational landscape of a virus by single-particle X-ray scattering

DOE PAGES

Hosseinizadeh, Ahmad; Mashayekhi, Ghoncheh; Copperman, Jeremy; ...

2017-08-14

Using a manifold-based analysis of experimental diffraction snapshots from an X-ray free electron laser, we determine the three-dimensional structure and conformational landscape of the PR772 virus to a detector-limited resolution of 9 nm. Our results indicate that a single conformational coordinate controls reorganization of the genome, growth of a tubular structure from a portal vertex and release of the genome. Furthermore, these results demonstrate that single-particle X-ray scattering has the potential to shed light on key biological processes.

Polymer Based Molecular Composites. Volume 171. Materials Research Society Symposium Proceedings Held in Boston, Massachusetts on 27-30 November 1989

DTIC Science & Technology

1990-09-01

231 Harry L. Frisch PART V: IONOMERS/STRUCTURE SMALL ANGLE X - RAY SCATTERING ON POLY(ETHYLENE-METHACRYLIC ACID) LEAD AND LEAD SULFIDE IONOMERS 237...E.J. Kramer, R.J. Composto, R.S. Stein, T.P. Russell, G.P. Felcher, A. Mansour, and A. Karim * td:tt Papet Vil X - RAY REFLECTIVITY AND FLUORESCENCE...Sammann DETERMINATION OF PARTICLE SIZE OF A DISPERSED PHASE BY SMALL-ANGLE X - RAY SCATTERING 413 Frank C. Wilson *Invited Paper ix SYNTHESIS AND

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yennawar, Hemant; Møller, Magda; University of Copenhagen, DK-2100 Copenhagen

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 crystalmore » 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.« less

Modulated method for efficient, narrow-bandwidth, laser Compton X-ray and gamma-ray sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barty, Christopher P. J.

A method of x-ray and gamma-ray generation via laser Compton scattering uses the interaction of a specially-formatted, highly modulated, long duration, laser pulse with a high-frequency train of high-brightness electron bunches to both create narrow bandwidth x-ray and gamma-ray sources and significantly increase the laser to Compton photon conversion efficiency.

Method for efficient, narrow-bandwidth, laser compton x-ray and gamma-ray sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barty, Christopher P. J.

A method of x-ray and gamma-ray generation via laser Compton scattering uses the interaction of a specially-formatted, highly modulated, long duration, laser pulse with a high-frequency train of high-brightness electron bunches to both create narrow bandwidth x-ray and gamma-ray sources and significantly increase the laser to Compton photon conversion efficiency.

Thermal and non-thermal X-rays from the Galactic supernova remnant G348.5+0.1

NASA Astrophysics Data System (ADS)

Yamauchi, Shigeo; Minami, Sari; Ota, Naomi; Koyama, Katsuji

2014-02-01

We report on Suzaku results of the two distinct regions in the Galactic supernova remnant G348.5+0.1: extended thermal X-rays ("soft diffuse") at the north-east region and non-thermal X-rays (CXOU J171419.8-383023) at the north-west region. The X-ray spectrum of the soft diffuse X-rays can be fitted with neither an ionization equilibrium nor a non-equilibrium (ionizing) plasma model, leaving saw- tooth residuals in the 1.5-3 keV energy band. The residual structures can be produced when free electrons are recombined to the K-shells of highly ionized Mg and Si ions. In fact, the X-ray spectrum is nicely fitted with a recombination-dominant plasma model. We propose a scenario whereby the plasma in a nearly fully ionized state at high temperature quickly changed to a recombining phase due to selective cooling of electrons to a lower temperature of ˜ 0.5 keV. The spectrum of CXOU J171419.8-383023 is well explained by a simple power-law model with a photon index of 1.9, nearly equal to the typical value for pulsar wind nebulae. Since the distance is estimated to be the same as that of the soft diffuse radiation, we infer that both the soft diffuse X-rays and CXOU J171419.8-383023 are associated with the same object, SNR G348.5+0.1.

An X-ray investigation of the unusual supernova remnant CTB 80

NASA Technical Reports Server (NTRS)

Wang, Z. R.; Seward, F. D.

1984-01-01

The X-ray properties of SNR CTB 80 (G68.8 + 2.8) are discussed based on both low- and high-resolution images from the Einstein satellite. The X-ray maps show a point source coinciding with the region of maximum radio emission. Diffuse X-ray emission is evident mainly along the radio lobe extending about 8 arcmin east of the point source and aligned with the projected magnetic field lines. The observed X-ray luminosity is 3.2 x 10 to the 34th ergs/s with 1.0 x 10 to the 3th ergs/s from the point source (assuming a distance of 3 kpc). There is also faint, diffuse, X-ray emission south of the point source, where radio emission is absent. The unusual radio and X-ray morphologies are interpreted as a result of relativistic jets energized by the central object, and the possible association of CTB 80 with SN 1408 as recorded by Chinese observers is discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gofron, K. J., E-mail: kgofron@bnl.gov; Cai, Y. Q.; Coburn, D. S.

A novel on-axis X-ray microscope with 3 µm resolution, 3x magnification, and a working distance of 600 mm for in-situ sample alignment and X-ray beam visualization for the Inelastic X-ray Scattering (IXS) beamline at NSLS-II is presented. The microscope uses reflective optics, which minimizes dispersion, and allows imaging from Ultraviolet (UV) to Infrared (IR) with specifically chosen objective components (coatings, etc.). Additionally, a portable high resolution X-ray microscope for KB mirror alignment and X-ray beam characterization was developed.

Tuning crystalline ordering by annealing and additives to study its effect on exciton diffusion in a polyalkylthiophene copolymer.

PubMed

Chowdhury, Mithun; Sajjad, Muhammad T; Savikhin, Victoria; Hergué, Noémie; Sutija, Karina B; Oosterhout, Stefan D; Toney, Michael F; Dubois, Philippe; Ruseckas, Arvydas; Samuel, Ifor D W

2017-05-17

The influence of various processing conditions on the singlet exciton diffusion is explored in films of a conjugated random copolymer poly-(3-hexylthiophene-co-3-dodecylthiophene) (P3HT-co-P3DDT) and correlated with the degree of crystallinity probed by grazing incidence X-ray scattering and with exciton bandwidth determined from absorption spectra. The exciton diffusion coefficient is deduced from exciton-exciton annihilation measurements and is found to increase by more than a factor of three when thin films are annealed using CS 2 solvent vapour. A doubling of exciton diffusion coefficient is observed upon melt annealing at 200 °C and the corresponding films show about 50% enhancement in the degree of crystallinity. In contrast, films fabricated from polymer solutions containing a small amount of either solvent additive or nucleating agent show a decrease in exciton diffusion coefficient possibly due to formation of traps for excitons. Our results suggest that the enhancement of exciton diffusivity occurs because of increased crystallinity of alkyl-stacking and longer conjugation of aggregated chains which reduces the exciton bandwidth.

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering.

PubMed

Vorberger, J; Chapman, D A

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering

NASA Astrophysics Data System (ADS)

Vorberger, J.; Chapman, D. A.

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Thomson scattering laser-electron X-ray source for reduction of patient radiation dose in interventional coronary angiography

NASA Astrophysics Data System (ADS)

Artyukov, I. A.; Dyachkov, N. V.; Feshchenko, R. M.; Polunina, A. V.; Popov, N. L.; Shvedunov, V. I.; Vinogradov, A. V.

2017-05-01

It was medical applications that stimulated F. Carrol in the early 1990s to start the research of on relativistic Thomson scattering X-ray sources, as a part of the infrastructure of the future society. The possibility to use such a source in interventional cardiology is discussed in this paper. The replacement of X-ray tube by relativistic Thomson scattering Xray source is predicted to lower the patient radiation dose by a factor of 3 while image quality remains the same. The required general characteristics of accelerator and laser units are found. They can be reached by existing technology. A semiempirical method for simulation of medical and technical parameters of interventional coronary angiography systems is suggested.

The magnetic order of GdMn₂Ge₂ studied by neutron diffraction and x-ray resonant magnetic scattering.

PubMed

Granovsky, S A; Kreyssig, A; Doerr, M; Ritter, C; Dudzik, E; Feyerherm, R; Canfield, P C; Loewenhaupt, M

2010-06-09

The magnetic structure of GdMn₂Ge₂ (tetragonal I4/mmm) has been studied by hot neutron powder diffraction and x-ray resonant magnetic scattering techniques. These measurements, along with the results of bulk experiments, confirm the collinear ferrimagnetic structure with moment direction parallel to the c-axis below T(C) = 96 K and the collinear antiferromagnetic phase in the temperature region T(C) < T < T(N) = 365 K. In the antiferromagnetic phase, x-ray resonant magnetic scattering has been detected at Mn K and Gd L₂ absorption edges. The Gd contribution is a result of an induced Gd 5d electron polarization caused by the antiferromagnetic order of Mn-moments.