dynamic x-ray computed: Topics by Science.gov

Sample records for dynamic x-ray computed

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

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

Bansil, Arun

2016-12-01

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

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

Ho, Phay J.; Knight, Chris

Here, we present the methodology of our recently developed Monte-Carlo/ Molecular-Dynamics method for studying the fundamental ultrafast dynamics induced by high-fluence, high-intensity x-ray free electron laser (XFEL) pulses in clusters. The quantum nature of the initiating ionization process is accounted for by a Monte Carlo method to calculate probabilities of electronic transitions, including photo absorption, inner-shell relaxation, photon scattering, electron collision and recombination dynamics, and thus track the transient electronic configurations explicitly. The freed electrons and ions are followed by classical particle trajectories using a molecular dynamics algorithm. These calculations reveal the surprising role of electron-ion recombination processes that leadmore » to the development of nonuniform spatial charge density profiles in x-ray excited clusters over femtosecond timescales. In the high-intensity limit, it is important to include the recombination dynamics in the calculated scattering response even for a 2- fs pulse. We also demonstrate that our numerical codes and algorithms can make e!cient use of the computational power of massively parallel supercomputers to investigate the intense-field dynamics in systems with increasing complexity and size at the ultrafast timescale and in non-linear x-ray interaction regimes. In particular, picosecond trajectories of XFEL clusters with attosecond time resolution containing millions of particles can be e!ciently computed on upwards of 262,144 processes.« less
Large-scale atomistic calculations of clusters in intense x-ray pulses

DOE PAGES

Ho, Phay J.; Knight, Chris

2017-04-28

Here, we present the methodology of our recently developed Monte-Carlo/ Molecular-Dynamics method for studying the fundamental ultrafast dynamics induced by high-fluence, high-intensity x-ray free electron laser (XFEL) pulses in clusters. The quantum nature of the initiating ionization process is accounted for by a Monte Carlo method to calculate probabilities of electronic transitions, including photo absorption, inner-shell relaxation, photon scattering, electron collision and recombination dynamics, and thus track the transient electronic configurations explicitly. The freed electrons and ions are followed by classical particle trajectories using a molecular dynamics algorithm. These calculations reveal the surprising role of electron-ion recombination processes that leadmore » to the development of nonuniform spatial charge density profiles in x-ray excited clusters over femtosecond timescales. In the high-intensity limit, it is important to include the recombination dynamics in the calculated scattering response even for a 2- fs pulse. We also demonstrate that our numerical codes and algorithms can make e!cient use of the computational power of massively parallel supercomputers to investigate the intense-field dynamics in systems with increasing complexity and size at the ultrafast timescale and in non-linear x-ray interaction regimes. In particular, picosecond trajectories of XFEL clusters with attosecond time resolution containing millions of particles can be e!ciently computed on upwards of 262,144 processes.« less
Varying-energy CT imaging method based on EM-TV

NASA Astrophysics Data System (ADS)

Chen, Ping; Han, Yan

2016-11-01

For complicated structural components with wide x-ray attenuation ranges, conventional fixed-energy computed tomography (CT) imaging cannot obtain all the structural information. This limitation results in a shortage of CT information because the effective thickness of the components along the direction of x-ray penetration exceeds the limit of the dynamic range of the x-ray imaging system. To address this problem, a varying-energy x-ray CT imaging method is proposed. In this new method, the tube voltage is adjusted several times with the fixed lesser interval. Next, the fusion of grey consistency and logarithm demodulation are applied to obtain full and lower noise projection with a high dynamic range (HDR). In addition, for the noise suppression problem of the analytical method, EM-TV (expectation maximization-total Jvariation) iteration reconstruction is used. In the process of iteration, the reconstruction result obtained at one x-ray energy is used as the initial condition of the next iteration. An accompanying experiment demonstrates that this EM-TV reconstruction can also extend the dynamic range of x-ray imaging systems and provide a higher reconstruction quality relative to the fusion reconstruction method.
Computed radiography as a gamma ray detector—dose response and applications

NASA Astrophysics Data System (ADS)

O'Keeffe, D. S.; McLeod, R. W.

2004-08-01

Computed radiography (CR) can be used for imaging the spatial distribution of photon emissions from radionuclides. Its wide dynamic range and good response to medium energy gamma rays reduces the need for long exposure times. Measurements of small doses can be performed without having to pre-sensitize the computed radiography plates via an x-ray exposure, as required with screen-film systems. Cassette-based Agfa MD30 and Kodak GP25 CR plates were used in applications involving the detection of gamma ray emissions from technetium-99m and iodine-131. Cassette entrance doses as small as 1 µGy (140 keV gamma rays) produce noisy images, but the images are suitable for applications such as the detection of breaks in radiation protection barriers. A consequence of the gamma ray sensitivity of CR plates is the possibility that some nuclear medicine patients may fog their x-rays if the x-ray is taken soon after their radiopharmaceutical injection. The investigation showed that such fogging is likely to be diffuse.
Synchrotron-based X-ray computed tomography during compression loading of cellular materials

DOE PAGES

Cordes, Nikolaus L.; Henderson, Kevin; Stannard, Tyler; ...

2015-04-29

Three-dimensional X-ray computed tomography (CT) of in situ dynamic processes provides internal snapshot images as a function of time. Tomograms are mathematically reconstructed from a series of radiographs taken in rapid succession as the specimen is rotated in small angular increments. In addition to spatial resolution, temporal resolution is important. Thus temporal resolution indicates how close together in time two distinct tomograms can be acquired. Tomograms taken in rapid succession allow detailed analyses of internal processes that cannot be obtained by other means. This article describes the state-of-the-art for such measurements acquired using synchrotron radiation as the X-ray source.
In situ flash x-ray high-speed computed tomography for the quantitative analysis of highly dynamic processes

NASA Astrophysics Data System (ADS)

Moser, Stefan; Nau, Siegfried; Salk, Manfred; Thoma, Klaus

2014-02-01

The in situ investigation of dynamic events, ranging from car crash to ballistics, often is key to the understanding of dynamic material behavior. In many cases the important processes and interactions happen on the scale of milli- to microseconds at speeds of 1000 m s-1 or more. Often, 3D information is necessary to fully capture and analyze all relevant effects. High-speed 3D-visualization techniques are thus required for the in situ analysis. 3D-capable optical high-speed methods often are impaired by luminous effects and dust, while flash x-ray based methods usually deliver only 2D data. In this paper, a novel 3D-capable flash x-ray based method, in situ flash x-ray high-speed computed tomography is presented. The method is capable of producing 3D reconstructions of high-speed processes based on an undersampled dataset consisting of only a few (typically 3 to 6) x-ray projections. The major challenges are identified, discussed and the chosen solution outlined. The application is illustrated with an exemplary application of a 1000 m s-1 high-speed impact event on the scale of microseconds. A quantitative analysis of the in situ measurement of the material fragments with a 3D reconstruction with 1 mm voxel size is presented and the results are discussed. The results show that the HSCT method allows gaining valuable visual and quantitative mechanical information for the understanding and interpretation of high-speed events.
Transient lattice contraction in the solid to plasma transition of x-ray heated xenon clusters

NASA Astrophysics Data System (ADS)

Bostedt, C.; Ferguson, K.; Gorkhover, T.; Bucksbaum, P. H.; Boutet, S.; Koglin, J. E.; Lutman, A.; Marinelli, A.; Turner, J.; Bucher, M.; Ho, P.; Knight, C.; Young, L.; Fukuzawa, H.; Kumagai, Y.; Ueda, K.; Nagaya, K.; Messerschmidt, M.; Williams, G.

2016-05-01

Any sample in the focus of intense x-ray pulses will be transformed into a nanoplasma within femtoseconds. We have employed the novel two-color two-pulse mode available at the Linac Coherent Light Source free-electron laser to investigate the structural dynamics in nanoparticles upon x-ray exposure. We find that the nanoparticle transiently contracts within the first 80 fs following x-ray irradiation before ultimately disintegrating in a rapid hydrodynamic expansion. The contraction can be attributed to the massive x-ray induced electronic excitation that induces a collective change in the bond character of the nanoparticles. Alternative explanations for the contraction include a compression wave stemming from a rapid surface explosion of the nanoparticle. Computer simulations under way can elucidate the dominant contraction mechanism and yield further insight into the complex x-ray induced dynamics in nanoscale samples. This work is funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract No. DE-AC02-06CH11357.
Recent developments in structural proteomics for protein structure determination.

PubMed

Liu, Hsuan-Liang; Hsu, Jyh-Ping

2005-05-01

The major challenges in structural proteomics include identifying all the proteins on the genome-wide scale, determining their structure-function relationships, and outlining the precise three-dimensional structures of the proteins. Protein structures are typically determined by experimental approaches such as X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy. However, the knowledge of three-dimensional space by these techniques is still limited. Thus, computational methods such as comparative and de novo approaches and molecular dynamic simulations are intensively used as alternative tools to predict the three-dimensional structures and dynamic behavior of proteins. This review summarizes recent developments in structural proteomics for protein structure determination; including instrumental methods such as X-ray crystallography and NMR spectroscopy, and computational methods such as comparative and de novo structure prediction and molecular dynamics simulations.
Factors influencing real time internal structural visualization and dynamic process monitoring in plants using synchrotron-based phase contrast X-ray imaging

PubMed Central

Karunakaran, Chithra; Lahlali, Rachid; Zhu, Ning; Webb, Adam M.; Schmidt, Marina; Fransishyn, Kyle; Belev, George; Wysokinski, Tomasz; Olson, Jeremy; Cooper, David M. L.; Hallin, Emil

2015-01-01

Minimally invasive investigation of plant parts (root, stem, leaves, and flower) has good potential to elucidate the dynamics of plant growth, morphology, physiology, and root-rhizosphere interactions. Laboratory based absorption X-ray imaging and computed tomography (CT) systems are extensively used for in situ feasibility studies of plants grown in natural and artificial soil. These techniques have challenges such as low contrast between soil pore space and roots, long X-ray imaging time, and low spatial resolution. In this study, the use of synchrotron (SR) based phase contrast X-ray imaging (PCI) has been demonstrated as a minimally invasive technique for imaging plants. Above ground plant parts and roots of 10 day old canola and wheat seedlings grown in sandy clay loam soil were successfully scanned and reconstructed. Results confirmed that SR-PCI can deliver good quality images to study dynamic and real time processes such as cavitation and water-refilling in plants. The advantages of SR-PCI, effect of X-ray energy, and effective pixel size to study plant samples have been demonstrated. The use of contrast agents to monitor physiological processes in plants was also investigated and discussed. PMID:26183486
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.
Fundamentals and recent advances in X-ray micro computed tomography (microCT) applied on thermal-fluid dynamics and multiphase flows

NASA Astrophysics Data System (ADS)

Santini, Maurizio

2015-11-01

X-ray computed tomography (CT) is a well-known technique nowadays, since its first practical application by Sir. G. Hounsfield (Nobel price for medicine 1979) has continually benefited from optimising improvements, especially in medical applications. Indeed, also application of CT in various engineering research fields provides fundamental informations on a wide range of applications, considering that the technique is not destructive, allowing 3D visualization without perturbation of the analysed material. Nowadays, it is technologically possible to design and realize an equipment that achieve a micrometric resolution and even improve the sensibility in revealing differences in materials having very radiotransparency, allowing i.e. to distinguish between different fluids (with different density) or states of matter (like with two-phase flows). At the University of Bergamo, a prototype of an X-ray microCT system was developed since 2008, so being fully operative from 2012, with specific customizations for investigations in thermal-fluid dynamics and multiphase flow researches. A technical session held at the UIT International Conference in L'Aquila (Italy), at which this paper is referring, has presented some microCT fundamentals, to allow the audience to gain basics to follow the “fil-rouge” that links all the instrumentation developments, till the recent applications. Hereinafter are reported some applications currently developed at Bergamo University at the X-ray computed micro-tomography laboratory.
Solution x-ray scattering and structure formation in protein dynamics

NASA Astrophysics Data System (ADS)

Nasedkin, Alexandr; Davidsson, Jan; Niemi, Antti J.; Peng, Xubiao

2017-12-01

We propose a computationally effective approach that builds on Landau mean-field theory in combination with modern nonequilibrium statistical mechanics to model and interpret protein dynamics and structure formation in small- to wide-angle x-ray scattering (S/WAXS) experiments. We develop the methodology by analyzing experimental data in the case of Engrailed homeodomain protein as an example. We demonstrate how to interpret S/WAXS data qualitatively with a good precision and over an extended temperature range. We explain experimental observations in terms of protein phase structure, and we make predictions for future experiments and for how to analyze data at different ambient temperature values. We conclude that the approach we propose has the potential to become a highly accurate, computationally effective, and predictive tool for analyzing S/WAXS data. For this, we compare our results with those obtained previously in an all-atom molecular dynamics simulation.
Computational time-resolved and resonant x-ray scattering of strongly correlated materials

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

Bansil, Arun

Basic-Energy Sciences of the Department of Energy (BES/DOE) has made large investments in x-ray sources in the U.S. (NSLS-II, LCLS, NGLS, ALS, APS) as powerful enabling tools for opening up unprecedented new opportunities for exploring properties of matter at various length and time scales. The coming online of the pulsed photon source, literally allows us to see and follow the dynamics of processes in materials at their natural timescales. There is an urgent need therefore to develop theoretical methodologies and computational models for understanding how x-rays interact with matter and the related spectroscopies of materials. The present project addressed aspectsmore » of this grand challenge of x-ray science. In particular, our Collaborative Research Team (CRT) focused on developing viable computational schemes for modeling x-ray scattering and photoemission spectra of strongly correlated materials in the time-domain. The vast arsenal of formal/numerical techniques and approaches encompassed by the members of our CRT were brought to bear through appropriate generalizations and extensions to model the pumped state and the dynamics of this non-equilibrium state, and how it can be probed via x-ray absorption (XAS), emission (XES), resonant and non-resonant x-ray scattering, and photoemission processes. We explored the conceptual connections between the time-domain problems and other second-order spectroscopies, such as resonant inelastic x-ray scattering (RIXS) because RIXS may be effectively thought of as a pump-probe experiment in which the incoming photon acts as the pump, and the fluorescent decay is the probe. Alternatively, when the core-valence interactions are strong, one can view K-edge RIXS for example, as the dynamic response of the material to the transient presence of a strong core-hole potential. Unlike an actual pump-probe experiment, here there is no mechanism for adjusting the time-delay between the pump and the probe. However, the core hole predominantly decays via Auger processes, thereby providing an internal time-scale, which limits intermediate-state processes to timescales of a few femtoseconds. Accordingly, a number of activities directed at modeling K-, L- and M-edge RIXS in correlated materials were also pursused by our CRT. Our research effort supported by this CMCSN grant substantially advanced the understanding of x-ray scattering processes in the time-domain as well as in the more conventional scattering channels, including time-resolved photoemission, and how such processes can be modeled realistically in complex correlated materials more generally. The modeling of relaxation processes involved in time-domain spectroscopies is important also for understanding photoinduced effects such as energy conversion in photosynthesis and solar cell applications, and thus impacts the basic science for energy needs.« less
X-ray morphological study of the ESZ sample

NASA Astrophysics Data System (ADS)

Lovisari, L.; Forman, W.; Jones, C.; Andrade-Santos, F.; Democles, J.; Pratt, G.; Ettori, S.; Arnaud, M.; Randall, S.; Kraft, R.

2017-10-01

An accurate knowledge of the scaling relations between X-ray observables and cluster mass is a crucial step for studies that aim to constrain cosmological parameters using galaxy clusters. The measure of the dynamical state of the systems offers important information to obtain precise scaling relations and understand their scatter. Unfortunately, characterize the dynamical state of a galaxy cluster requires to access a large set of information in different wavelength which are available only for a few individual systems. An alternative is to compute well defined morphological parameters making use of the relatively cheap X-ray images and profiles. Due to different projection effects none of the methods is good in all the cases and a combination of them is more effective to quantify the level of substructures. I will present the cluster morphologies that we derived for the ESZ sample. I will show their dependence on different cluster properties like total mass, redshift, and luminosity and how they differ from the ones obtained for X-ray selected clusters.
Morphological Characterisation of Unstained and Intact Tissue Micro-architecture by X-ray Computed Micro- and Nano-Tomography

NASA Astrophysics Data System (ADS)

Walton, Lucy A.; Bradley, Robert S.; Withers, Philip J.; Newton, Victoria L.; Watson, Rachel E. B.; Austin, Clare; Sherratt, Michael J.

2015-05-01

Characterisation and quantification of tissue structures is limited by sectioning-induced artefacts and by the difficulties of visualising and segmenting 3D volumes. Here we demonstrate that, even in the absence of X-ray contrast agents, X-ray computed microtomography (microCT) and nanotomography (nanoCT) can circumvent these problems by rapidly resolving compositionally discrete 3D tissue regions (such as the collagen-rich adventitia and elastin-rich lamellae in intact rat arteries) which in turn can be segmented due to their different X-ray opacities and morphologies. We then establish, using X-ray tomograms of both unpressurised and pressurised arteries that intra-luminal pressure not only increases lumen cross-sectional area and straightens medial elastic lamellae but also induces profound remodelling of the adventitial layer. Finally we apply microCT to another human organ (skin) to visualise the cell-rich epidermis and extracellular matrix-rich dermis and to show that conventional histological and immunohistochemical staining protocols are compatible with prior X-ray exposure. As a consequence we suggest that microCT could be combined with optical microscopy to characterise the 3D structure and composition of archival paraffin embedded biological materials and of mechanically stressed dynamic tissues such as the heart, lungs and tendons.
Morphological Characterisation of Unstained and Intact Tissue Micro-architecture by X-ray Computed Micro- and Nano-Tomography

PubMed Central

Walton, Lucy A.; Bradley, Robert S.; Withers, Philip J.; Newton, Victoria L.; Watson, Rachel E. B.; Austin, Clare; Sherratt, Michael J.

2015-01-01

Characterisation and quantification of tissue structures is limited by sectioning-induced artefacts and by the difficulties of visualising and segmenting 3D volumes. Here we demonstrate that, even in the absence of X-ray contrast agents, X-ray computed microtomography (microCT) and nanotomography (nanoCT) can circumvent these problems by rapidly resolving compositionally discrete 3D tissue regions (such as the collagen-rich adventitia and elastin-rich lamellae in intact rat arteries) which in turn can be segmented due to their different X-ray opacities and morphologies. We then establish, using X-ray tomograms of both unpressurised and pressurised arteries that intra-luminal pressure not only increases lumen cross-sectional area and straightens medial elastic lamellae but also induces profound remodelling of the adventitial layer. Finally we apply microCT to another human organ (skin) to visualise the cell-rich epidermis and extracellular matrix-rich dermis and to show that conventional histological and immunohistochemical staining protocols are compatible with prior X-ray exposure. As a consequence we suggest that microCT could be combined with optical microscopy to characterise the 3D structure and composition of archival paraffin embedded biological materials and of mechanically stressed dynamic tissues such as the heart, lungs and tendons. PMID:25975937

Is Breast Densitometry a Measure of Breast Cancer Risk

DTIC Science & Technology

2001-09-01

preparing the same or similar computer software, or (c) used by a party other than the Government, except that the Government may release or disclose...compositional density. This increases the accuracy, dynamic range and precision of the measurement. This is the principal difference between...vivo whole body %FAT. By subtracting two x-ray images acquired at different x-ray energies, one component (say soft tissue) of a two component model (say
Multiscale tomographic analysis of heterogeneous cast Al-Si-X alloys.

PubMed

Asghar, Z; Requena, G; Sket, F

2015-07-01

The three-dimensional microstructure of cast AlSi12Ni and AlSi10Cu5Ni2 alloys is investigated by laboratory X-ray computed tomography, synchrotron X-ray computed microtomography, light optical tomography and synchrotron X-ray computed microtomography with submicrometre resolution. The results obtained with each technique are correlated with the size of the scanned volumes and resolved microstructural features. Laboratory X-ray computed tomography is sufficient to resolve highly absorbing aluminides but eutectic and primary Si remain unrevealed. Synchrotron X-ray computed microtomography at ID15/ESRF gives better spatial resolution and reveals primary Si in addition to aluminides. Synchrotron X-ray computed microtomography at ID19/ESRF reveals all the phases ≥ ∼1 μm in volumes about 80 times smaller than laboratory X-ray computed tomography. The volumes investigated by light optical tomography and submicrometre synchrotron X-ray computed microtomography are much smaller than laboratory X-ray computed tomography but both techniques provide local chemical information on the types of aluminides. The complementary techniques applied enable a full three-dimensional characterization of the microstructure of the alloys at length scales ranging over six orders of magnitude. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.
HIFLUGCS: X-ray luminosity-dynamical mass relation and its implications for mass calibrations with the SPIDERS and 4MOST surveys

NASA Astrophysics Data System (ADS)

Zhang, Yu-Ying; Reiprich, Thomas H.; Schneider, Peter; Clerc, Nicolas; Merloni, Andrea; Schwope, Axel; Borm, Katharina; Andernach, Heinz; Caretta, César A.; Wu, Xiang-Ping

2017-03-01

We present the relation of X-ray luminosity versus dynamical mass for 63 nearby clusters of galaxies in a flux-limited sample, the HIghest X-ray FLUx Galaxy Cluster Sample (HIFLUGCS, consisting of 64 clusters). The luminosity measurements are obtained based on 1.3 Ms of clean XMM-Newton data and ROSAT pointed observations. The masses are estimated using optical spectroscopic redshifts of 13647 cluster galaxies in total. We classify clusters into disturbed and undisturbed based on a combination of the X-ray luminosity concentration and the offset between the brightest cluster galaxy and X-ray flux-weighted center. Given sufficient numbers (I.e., ≥45) of member galaxies when the dynamical masses are computed, the luminosity versus mass relations agree between the disturbed and undisturbed clusters. The cool-core clusters still dominate the scatter in the luminosity versus mass relation even when a core-corrected X-ray luminosity is used, which indicates that the scatter of this scaling relation mainly reflects the structure formation history of the clusters. As shown by the clusters with only few spectroscopically confirmed members, the dynamical masses can be underestimated and thus lead to a biased scaling relation. To investigate the potential of spectroscopic surveys to follow up high-redshift galaxy clusters or groups observed in X-ray surveys for the identifications and mass calibrations, we carried out Monte Carlo resampling of the cluster galaxy redshifts and calibrated the uncertainties of the redshift and dynamical mass estimates when only reduced numbers of galaxy redshifts per cluster are available. The resampling considers the SPIDERS and 4MOST configurations, designed for the follow-up of the eROSITA clusters, and was carried out for each cluster in the sample at the actual cluster redshift as well as at the assigned input cluster redshifts of 0.2, 0.4, 0.6, and 0.8. To follow up very distant clusters or groups, we also carried out the mass calibration based on the resampling with only ten redshifts per cluster, and redshift calibration based on the resampling with only five and ten redshifts per cluster, respectively. Our results demonstrate the power of combining upcoming X-ray and optical spectroscopic surveys for mass calibration of clusters. The scatter in the dynamical mass estimates for the clusters with at least ten members is within 50%.
hybrid\\scriptsize{{MANTIS}}: a CPU-GPU Monte Carlo method for modeling indirect x-ray detectors with columnar scintillators

NASA Astrophysics Data System (ADS)

Sharma, Diksha; Badal, Andreu; Badano, Aldo

2012-04-01

The computational modeling of medical imaging systems often requires obtaining a large number of simulated images with low statistical uncertainty which translates into prohibitive computing times. We describe a novel hybrid approach for Monte Carlo simulations that maximizes utilization of CPUs and GPUs in modern workstations. We apply the method to the modeling of indirect x-ray detectors using a new and improved version of the code \\scriptsize{{MANTIS}}, an open source software tool used for the Monte Carlo simulations of indirect x-ray imagers. We first describe a GPU implementation of the physics and geometry models in fast\\scriptsize{{DETECT}}2 (the optical transport model) and a serial CPU version of the same code. We discuss its new features like on-the-fly column geometry and columnar crosstalk in relation to the \\scriptsize{{MANTIS}} code, and point out areas where our model provides more flexibility for the modeling of realistic columnar structures in large area detectors. Second, we modify \\scriptsize{{PENELOPE}} (the open source software package that handles the x-ray and electron transport in \\scriptsize{{MANTIS}}) to allow direct output of location and energy deposited during x-ray and electron interactions occurring within the scintillator. This information is then handled by optical transport routines in fast\\scriptsize{{DETECT}}2. A load balancer dynamically allocates optical transport showers to the GPU and CPU computing cores. Our hybrid\\scriptsize{{MANTIS}} approach achieves a significant speed-up factor of 627 when compared to \\scriptsize{{MANTIS}} and of 35 when compared to the same code running only in a CPU instead of a GPU. Using hybrid\\scriptsize{{MANTIS}}, we successfully hide hours of optical transport time by running it in parallel with the x-ray and electron transport, thus shifting the computational bottleneck from optical to x-ray transport. The new code requires much less memory than \\scriptsize{{MANTIS}} and, as a result, allows us to efficiently simulate large area detectors.
Anode optimization for miniature electronic brachytherapy X-ray sources using Monte Carlo and computational fluid dynamic codes

PubMed Central

Khajeh, Masoud; Safigholi, Habib

2015-01-01

A miniature X-ray source has been optimized for electronic brachytherapy. The cooling fluid for this device is water. Unlike the radionuclide brachytherapy sources, this source is able to operate at variable voltages and currents to match the dose with the tumor depth. First, Monte Carlo (MC) optimization was performed on the tungsten target-buffer thickness layers versus energy such that the minimum X-ray attenuation occurred. Second optimization was done on the selection of the anode shape based on the Monte Carlo in water TG-43U1 anisotropy function. This optimization was carried out to get the dose anisotropy functions closer to unity at any angle from 0° to 170°. Three anode shapes including cylindrical, spherical, and conical were considered. Moreover, by Computational Fluid Dynamic (CFD) code the optimal target-buffer shape and different nozzle shapes for electronic brachytherapy were evaluated. The characterization criteria of the CFD were the minimum temperature on the anode shape, cooling water, and pressure loss from inlet to outlet. The optimal anode was conical in shape with a conical nozzle. Finally, the TG-43U1 parameters of the optimal source were compared with the literature. PMID:26966563
Response Time Measurements of the NIF DANTE XRD-31 X-Ray Diodes (Pre-print)

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

Don Pellinen and Michael Griffin

2009-01-23

The XRD-31 is a fast, windowless X-ray vacuum photodiode developed by EG&G. It is currently the primary fast X-ray detector used to diagnose the X-rays on NIF and OMEGA on the multichannel DANTE spectrometer. The XRD-31 has a dynamic range of less than 1e-12 amps to more than 10 amps. A technique is described to measure the impulse response of the diodes to a 150 fs pulse of 200 nm laser light and a method to calculate the “risetime” for a square pulse and compare it with the computed electron transit time from the photocathode to the anode. Measured responsemore » time for 5 XRD-31s assembled in early 2004 was 149.7 ps +-2.75 ps.« less
Integrative, Dynamic Structural Biology at Atomic Resolution—It’s About Time

PubMed Central

van den Bedem, Henry; Fraser, James S.

2015-01-01

Biomolecules adopt a dynamic ensemble of conformations, each with the potential to interact with binding partners or perform the chemical reactions required for a multitude of cellular functions. Recent advances in X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, and other techniques are helping us realize the dream of seeing—in atomic detail—how different parts of biomolecules exchange between functional sub-states using concerted motions. Integrative structural biology has advanced our understanding of the formation of large macromolecular complexes and how their components interact in assemblies by leveraging data from many low-resolution methods. Here, we review the growing opportunities for integrative, dynamic structural biology at the atomic scale, contending there is increasing synergistic potential between X-ray crystallography, NMR, and computer simulations to reveal a structural basis for protein conformational dynamics at high resolution. PMID:25825836
Gas gun shock experiments with single-pulse x-ray phase contrast imaging and diffraction at the Advanced Photon Source

NASA Astrophysics Data System (ADS)

Luo, S. N.; Jensen, B. J.; Hooks, D. E.; Fezzaa, K.; Ramos, K. J.; Yeager, J. D.; Kwiatkowski, K.; Shimada, T.

2012-07-01

The highly transient nature of shock loading and pronounced microstructure effects on dynamic materials response call for in situ, temporally and spatially resolved, x-ray-based diagnostics. Third-generation synchrotron x-ray sources are advantageous for x-ray phase contrast imaging (PCI) and diffraction under dynamic loading, due to their high photon fluxes, high coherency, and high pulse repetition rates. The feasibility of bulk-scale gas gun shock experiments with dynamic x-ray PCI and diffraction measurements was investigated at the beamline 32ID-B of the Advanced Photon Source. The x-ray beam characteristics, experimental setup, x-ray diagnostics, and static and dynamic test results are described. We demonstrate ultrafast, multiframe, single-pulse PCI measurements with unprecedented temporal (<100 ps) and spatial (˜2 μm) resolutions for bulk-scale shock experiments, as well as single-pulse dynamic Laue diffraction. The results not only substantiate the potential of synchrotron-based experiments for addressing a variety of shock physics problems, but also allow us to identify the technical challenges related to image detection, x-ray source, and dynamic loading.
How much image noise can be added in cardiac x-ray imaging without loss in perceived image quality?

NASA Astrophysics Data System (ADS)

Gislason-Lee, Amber J.; Kumcu, Asli; Kengyelics, Stephen M.; Rhodes, Laura A.; Davies, Andrew G.

2015-03-01

Dynamic X-ray imaging systems are used for interventional cardiac procedures to treat coronary heart disease. X-ray settings are controlled automatically by specially-designed X-ray dose control mechanisms whose role is to ensure an adequate level of image quality is maintained with an acceptable radiation dose to the patient. Current commonplace dose control designs quantify image quality by performing a simple technical measurement directly from the image. However, the utility of cardiac X-ray images is in their interpretation by a cardiologist during an interventional procedure, rather than in a technical measurement. With the long term goal of devising a clinically-relevant image quality metric for an intelligent dose control system, we aim to investigate the relationship of image noise with clinical professionals' perception of dynamic image sequences. Computer-generated noise was added, in incremental amounts, to angiograms of five different patients selected to represent the range of adult cardiac patient sizes. A two alternative forced choice staircase experiment was used to determine the amount of noise which can be added to a patient image sequences without changing image quality as perceived by clinical professionals. Twenty-five viewing sessions (five for each patient) were completed by thirteen observers. Results demonstrated scope to increase the noise of cardiac X-ray images by up to 21% +/- 8% before it is noticeable by clinical professionals. This indicates a potential for 21% radiation dose reduction since X-ray image noise and radiation dose are directly related; this would be beneficial to both patients and personnel.
Temporal sparsity exploiting nonlocal regularization for 4D computed tomography reconstruction

PubMed Central

Kazantsev, Daniil; Guo, Enyu; Kaestner, Anders; Lionheart, William R. B.; Bent, Julian; Withers, Philip J.; Lee, Peter D.

2016-01-01

X-ray imaging applications in medical and material sciences are frequently limited by the number of tomographic projections collected. The inversion of the limited projection data is an ill-posed problem and needs regularization. Traditional spatial regularization is not well adapted to the dynamic nature of time-lapse tomography since it discards the redundancy of the temporal information. In this paper, we propose a novel iterative reconstruction algorithm with a nonlocal regularization term to account for time-evolving datasets. The aim of the proposed nonlocal penalty is to collect the maximum relevant information in the spatial and temporal domains. With the proposed sparsity seeking approach in the temporal space, the computational complexity of the classical nonlocal regularizer is substantially reduced (at least by one order of magnitude). The presented reconstruction method can be directly applied to various big data 4D (x, y, z+time) tomographic experiments in many fields. We apply the proposed technique to modelled data and to real dynamic X-ray microtomography (XMT) data of high resolution. Compared to the classical spatio-temporal nonlocal regularization approach, the proposed method delivers reconstructed images of improved resolution and higher contrast while remaining significantly less computationally demanding. PMID:27002902
Monochromatic-beam-based dynamic X-ray microtomography based on OSEM-TV algorithm.

PubMed

Xu, Liang; Chen, Rongchang; Yang, Yiming; Deng, Biao; Du, Guohao; Xie, Honglan; Xiao, Tiqiao

2017-01-01

Monochromatic-beam-based dynamic X-ray computed microtomography (CT) was developed to observe evolution of microstructure inside samples. However, the low flux density results in low efficiency in data collection. To increase efficiency, reducing the number of projections should be a practical solution. However, it has disadvantages of low image reconstruction quality using the traditional filtered back projection (FBP) algorithm. In this study, an iterative reconstruction method using an ordered subset expectation maximization-total variation (OSEM-TV) algorithm was employed to address and solve this problem. The simulated results demonstrated that normalized mean square error of the image slices reconstructed by the OSEM-TV algorithm was about 1/4 of that by FBP. Experimental results also demonstrated that the density resolution of OSEM-TV was high enough to resolve different materials with the number of projections less than 100. As a result, with the introduction of OSEM-TV, the monochromatic-beam-based dynamic X-ray microtomography is potentially practicable for the quantitative and non-destructive analysis to the evolution of microstructure with acceptable efficiency in data collection and reconstructed image quality.
Transmission properties and physical mechanisms of X-ray communication for blackout mitigation during spacecraft reentry

NASA Astrophysics Data System (ADS)

Liu, Yunpeng; Li, Huan; Li, Yanlong; Hang, Shuang; Tang, Xiaobin

2017-11-01

Recent advances in X-ray science have witnessed the X-ray communication (XCOM), a new revolutionary technology first proposed by NASA since 2007. In combination with the advanced modulated X-ray source, XCOM shows a promising prospect for helping to alleviate the occurrence of inevitable blackout communication by using the regular radio frequency (RF) signal, paving the way towards realizing real-time communication during spacecraft reentry into atmosphere. Here, we acquired the detailed information of electron density distribution of plasma sheath encountered during vehicle reentry through Computational Fluid Dynamics simulation. Based on these derived parameters, Finite-difference Time-domain method was employed to investigate the transmission properties of X-rays through the plasma sheath, and the results indicated that X-ray transmission was not influenced by the reentry plasma sheath at different reentry altitudes and spacecraft surface positions compared with RF signal. In addition, 2D Particle-In-Cell simulation was also adopted to provide deeper insight into the transmission properties and physical mechanisms of X-ray carrier propagating through the plasma sheath, and results showed that the transmission coefficient was over 0.994 and the observation of plasma channel effect was also an important signature, which was of great importance to X-ray propagating through the plasma sheath.
Phase-contrast x-ray computed tomography for observing biological specimens and organic materials

NASA Astrophysics Data System (ADS)

Momose, Atsushi; Takeda, Tohoru; Itai, Yuji

1995-02-01

A novel three-dimensional x-ray imaging method has been developed by combining a phase-contrast x-ray imaging technique with x-ray computed tomography. This phase-contrast x-ray computed tomography (PCX-CT) provides sectional images of organic specimens that would produce absorption-contrast x-ray CT images with little contrast. Comparing PCX-CT images of rat cerebellum and cancerous rabbit liver specimens with corresponding absorption-contrast CT images shows that PCX-CT is much more sensitive to the internal structure of organic specimens.
Recent Developments in X-Ray Diagnostics for Cryogenic and Optically Dense Coaxial Rocket Sprays

NASA Technical Reports Server (NTRS)

Radke, Christopher D.; Kastengren, Alan L.; Meyer, Terrence R.

2017-01-01

The mixing and atomization of propellants is often characterized by optically dense flow fields and complex breakup dynamics. In the development of propulsion systems, the complexity of relevant physics and the range of spatio-temporal scales often makes computational simulation impractical for full scale injector elements; consequently, continued research into improved systems for experimental flow diagnostics is ongoing. One area of non-invasive flow diagnostics which has seen widespread growth is using synchrotron based x-ray diagostics. Over the past 3 years, a series of water and cryogenic based experiments were performed at the Advanced Photon Source, Argonne National Lab, on a NASA in-house designed swirl co-axial rocket injector, designed for operation using liquid oxygen and liquid methane in support of Project Morpheus. A range of techniques, such as x-ray fluorescence and time-averaged radiography were performed providing qualitative and quantitative mass and phase distributions, and were complemented by investigations using time-resolved radiography and white beam imaging, which provided information on breakup and mixing dynamics. Results of these investigations are presented, and conclusions regarding the viability of x-ray based diagnostics are discussed.
An X-ray method for detecting substructure in galaxy clusters - Application to Perseus, A2256, Centaurus, Coma, and Sersic 40/6

NASA Technical Reports Server (NTRS)

Mohr, Joseph J.; Fabricant, Daniel G.; Geller, Margaret J.

1993-01-01

We use the moments of the X-ray surface brightness distribution to constrain the dynamical state of a galaxy cluster. Using X-ray observations from the Einstein Observatory IPC, we measure the first moment FM, the ellipsoidal orientation angle, and the axial ratio at a sequence of radii in the cluster. We argue that a significant variation in the image centroid FM as a function of radius is evidence for a nonequilibrium feature in the intracluster medium (ICM) density distribution. In simple terms, centroid shifts indicate that the center of mass of the ICM varies with radius. This variation is a tracer of continuing dynamical evolution. For each cluster, we evaluate the significance of variations in the centroid of the IPC image by computing the same statistics on an ensemble of simulated cluster images. In producing these simulated images we include X-ray point source emission, telescope vignetting, Poisson noise, and characteristics of the IPC. Application of this new method to five Abell clusters reveals that the core of each one has significant substructure. In addition, we find significant variations in the orientation angle and the axial ratio for several of the clusters.
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.
The Scherrer equation and the dynamical theory of X-ray diffraction.

PubMed

Muniz, Francisco Tiago Leitão; Miranda, Marcus Aurélio Ribeiro; Morilla Dos Santos, Cássio; Sasaki, José Marcos

2016-05-01

The Scherrer equation is a widely used tool to determine the crystallite size of polycrystalline samples. However, it is not clear if one can apply it to large crystallite sizes because its derivation is based on the kinematical theory of X-ray diffraction. For large and perfect crystals, it is more appropriate to use the dynamical theory of X-ray diffraction. Because of the appearance of polycrystalline materials with a high degree of crystalline perfection and large sizes, it is the authors' belief that it is important to establish the crystallite size limit for which the Scherrer equation can be applied. In this work, the diffraction peak profiles are calculated using the dynamical theory of X-ray diffraction for several Bragg reflections and crystallite sizes for Si, LaB6 and CeO2. The full width at half-maximum is then extracted and the crystallite size is computed using the Scherrer equation. It is shown that for crystals with linear absorption coefficients below 2117.3 cm(-1) the Scherrer equation is valid for crystallites with sizes up to 600 nm. It is also shown that as the size increases only the peaks at higher 2θ angles give good results, and if one uses peaks with 2θ > 60° the limit for use of the Scherrer equation would go up to 1 µm.
Improved computational fluid dynamic simulations of blood flow in membrane oxygenators from X-ray imaging.

PubMed

Jones, Cameron C; McDonough, James M; Capasso, Patrizio; Wang, Dongfang; Rosenstein, Kyle S; Zwischenberger, Joseph B

2013-10-01

Computational fluid dynamics (CFD) is a useful tool in characterizing artificial lung designs by providing predictions of device performance through analyses of pressure distribution, perfusion dynamics, and gas transport properties. Validation of numerical results in membrane oxygenators has been predominantly based on experimental pressure measurements with little emphasis placed on confirmation of the velocity fields due to opacity of the fiber membrane and limitations of optical velocimetric methods. Biplane X-ray digital subtraction angiography was used to visualize flow of a blood analogue through a commercial membrane oxygenator at 1-4.5 L/min. Permeability and inertial coefficients of the Ergun equation were experimentally determined to be 180 and 2.4, respectively. Numerical simulations treating the fiber bundle as a single momentum sink according to the Ergun equation accurately predicted pressure losses across the fiber membrane, but significantly underestimated velocity magnitudes in the fiber bundle. A scaling constant was incorporated into the numerical porosity and reduced the average difference between experimental and numerical values in the porous media regions from 44 ± 4% to 6 ± 5%.
CT brush and CancerZap!: two video games for computed tomography dose minimization.

PubMed

Alvare, Graham; Gordon, Richard

2015-05-12

X-ray dose from computed tomography (CT) scanners has become a significant public health concern. All CT scanners spray x-ray photons across a patient, including those using compressive sensing algorithms. New technologies make it possible to aim x-ray beams where they are most needed to form a diagnostic or screening image. We have designed a computer game, CT Brush, that takes advantage of this new flexibility. It uses a standard MART algorithm (Multiplicative Algebraic Reconstruction Technique), but with a user defined dynamically selected subset of the rays. The image appears as the player moves the CT brush over an initially blank scene, with dose accumulating with every "mouse down" move. The goal is to find the "tumor" with as few moves (least dose) as possible. We have successfully implemented CT Brush in Java and made it available publicly, requesting crowdsourced feedback on improving the open source code. With this experience, we also outline a "shoot 'em up game" CancerZap! for photon limited CT. We anticipate that human computing games like these, analyzed by methods similar to those used to understand eye tracking, will lead to new object dependent CT algorithms that will require significantly less dose than object independent nonlinear and compressive sensing algorithms that depend on sprayed photons. Preliminary results suggest substantial dose reduction is achievable.
Recent observations with phase-contrast x-ray computed tomography

NASA Astrophysics Data System (ADS)

Momose, Atsushi; Takeda, Tohoru; Itai, Yuji; Tu, Jinhong; Hirano, Keiichi

1999-09-01

Recent development in phase-contrast X-ray computed tomography using an X-ray interferometer is reported. To observe larger samples than is possible with our previous X-ray interferometer, a large monolithic X-ray interferometer and a separated-type X-ray interferometer were studied. At the present time, 2.5 cm X 1.5 cm interference patterns have been generated with the X-ray interferometers using synchrotron X-rays. The large monolithic X-ray interferometer has produced interference fringes with 80% visibility, and has been used to measure various tissues. To produce images with higher spatial resolution, we fabricated another X-ray interferometer whose wafer was partially thinned by chemical etching. A preliminary test suggested that the spatial resolution has been improved.

Studies of protein-protein and protein-water interactions by small angle x-ray scattering, terahertz spectroscopy, ASMOS, and computer simulation

NASA Astrophysics Data System (ADS)

Kim, Seung Joong

The protein folding problem has been one of the most challenging subjects in biological physics due to its complexity. Energy landscape theory based on statistical mechanics provides a thermodynamic interpretation of the protein folding process. We have been working to answer fundamental questions about protein-protein and protein-water interactions, which are very important for describing the energy landscape surface of proteins correctly. At first, we present a new method for computing protein-protein interaction potentials of solvated proteins directly from SAXS data. An ensemble of proteins was modeled by Metropolis Monte Carlo and Molecular Dynamics simulations, and the global X-ray scattering of the whole model ensemble was computed at each snapshot of the simulation. The interaction potential model was optimized and iterated by a Levenberg-Marquardt algorithm. Secondly, we report that terahertz spectroscopy directly probes hydration dynamics around proteins and determines the size of the dynamical hydration shell. We also present the sequence and pH-dependence of the hydration shell and the effect of the hydrophobicity. On the other hand, kinetic terahertz absorption (KITA) spectroscopy is introduced to study the refolding kinetics of ubiquitin and its mutants. KITA results are compared to small angle X-ray scattering, tryptophan fluorescence, and circular dichroism results. We propose that KITA monitors the rearrangement of hydrogen bonding during secondary structure formation. Finally, we present development of the automated single molecule operating system (ASMOS) for a high throughput single molecule detector, which levitates a single protein molecule in a 10 microm diameter droplet by the laser guidance. I also have performed supporting calculations and simulations with my own program codes.
Experimental investigation of dynamic fragmentation of laser shock-loaded by soft recovery and X-ray radiography

NASA Astrophysics Data System (ADS)

Xin, Jianting; He, Weihua; Chu, Genbai; Gu, Yuqiu

2017-06-01

Dynamic fragmentation of metal under shock pressure is an important issue for both fundamental science and practical applications. And in recent decades, laser provides a promising shock loading technique for investigating the process of dynamic fragmentation under extreme condition application of high strain rate. Our group has performed experimental investigation of dynamic fragmentation under laser shock loading by soft recovery and X-ray radiography at SGC / ó prototype laser facility. The fragments under different loading pressures were recovered by PMP foam and analyzed by X-ray micro-tomography and the improved watershed method. The experiment result showed that the bilinear exponential distribution is more appropriate for representing the fragment size distribution. We also developed X-ray radiography technique. Owing to its inherent advantage over shadowgraph technique, X-ray radiography can potentially determine quantitatively material densities by measuring the X-ray transmission. Our group investigated dynamic process of microjetting by X-ray radiography technique, the recorded radiographic images show clear microjetting from the triangular grooves in the free surface of tin sample.
Deformation and fracture of explosion-welded Ti/Al plates: A synchrotron-based study

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

E, J. C.; Huang, J. Y.; Bie, B. X.

Here, explosion-welded Ti/Al plates are characterized with energy dispersive spectroscopy and x-ray computed tomography, and exhibit smooth, well-jointed, interface. We perform dynamic and quasi-static uniaxial tension experiments on Ti/Al with the loading direction either perpendicular or parallel to the Ti/Al interface, using a mini split Hopkinson tension bar and a material testing system in conjunction with time-resolved synchrotron x-ray imaging. X-ray imaging and strain-field mapping reveal different deformation mechanisms responsible for anisotropic bulk-scale responses, including yield strength, ductility and rate sensitivity. Deformation and fracture are achieved predominantly in Al layer for perpendicular loading, but both Ti and Al layers asmore » well as the interface play a role for parallel loading. The rate sensitivity of Ti/Al follows those of the constituent metals. For perpendicular loading, single deformation band develops in Al layer under quasi-static loading, while multiple deformation bands nucleate simultaneously under dynamic loading, leading to a higher dynamic fracture strain. For parallel loading, the interface impedes the growth of deformation and results in increased ductility of Ti/Al under quasi-static loading, while interface fracture occurs under dynamic loading due to the disparity in Poisson's contraction.« less
Deformation and fracture of explosion-welded Ti/Al plates: A synchrotron-based study

DOE PAGES

E, J. C.; Huang, J. Y.; Bie, B. X.; ...

2016-08-02

Here, explosion-welded Ti/Al plates are characterized with energy dispersive spectroscopy and x-ray computed tomography, and exhibit smooth, well-jointed, interface. We perform dynamic and quasi-static uniaxial tension experiments on Ti/Al with the loading direction either perpendicular or parallel to the Ti/Al interface, using a mini split Hopkinson tension bar and a material testing system in conjunction with time-resolved synchrotron x-ray imaging. X-ray imaging and strain-field mapping reveal different deformation mechanisms responsible for anisotropic bulk-scale responses, including yield strength, ductility and rate sensitivity. Deformation and fracture are achieved predominantly in Al layer for perpendicular loading, but both Ti and Al layers asmore » well as the interface play a role for parallel loading. The rate sensitivity of Ti/Al follows those of the constituent metals. For perpendicular loading, single deformation band develops in Al layer under quasi-static loading, while multiple deformation bands nucleate simultaneously under dynamic loading, leading to a higher dynamic fracture strain. For parallel loading, the interface impedes the growth of deformation and results in increased ductility of Ti/Al under quasi-static loading, while interface fracture occurs under dynamic loading due to the disparity in Poisson's contraction.« less
Hetero-site-specific X-ray pump-probe spectroscopy for femtosecond intramolecular dynamics

PubMed Central

Picón, A.; Lehmann, C. S.; Bostedt, C.; Rudenko, A.; Marinelli, A.; Osipov, T.; Rolles, D.; Berrah, N.; Bomme, C.; Bucher, M.; Doumy, G.; Erk, B.; Ferguson, K. R.; Gorkhover, T.; Ho, P. J.; Kanter, E. P.; Krässig, B.; Krzywinski, J.; Lutman, A. A.; March, A. M.; Moonshiram, D.; Ray, D.; Young, L.; Pratt, S. T.; Southworth, S. H.

2016-01-01

New capabilities at X-ray free-electron laser facilities allow the generation of two-colour femtosecond X-ray pulses, opening the possibility of performing ultrafast studies of X-ray-induced phenomena. Particularly, the experimental realization of hetero-site-specific X-ray-pump/X-ray-probe spectroscopy is of special interest, in which an X-ray pump pulse is absorbed at one site within a molecule and an X-ray probe pulse follows the X-ray-induced dynamics at another site within the same molecule. Here we show experimental evidence of a hetero-site pump-probe signal. By using two-colour 10-fs X-ray pulses, we are able to observe the femtosecond time dependence for the formation of F ions during the fragmentation of XeF2 molecules following X-ray absorption at the Xe site. PMID:27212390
Hetero-site-specific X-ray pump-probe spectroscopy for femtosecond intramolecular dynamics.

PubMed

Picón, A; Lehmann, C S; Bostedt, C; Rudenko, A; Marinelli, A; Osipov, T; Rolles, D; Berrah, N; Bomme, C; Bucher, M; Doumy, G; Erk, B; Ferguson, K R; Gorkhover, T; Ho, P J; Kanter, E P; Krässig, B; Krzywinski, J; Lutman, A A; March, A M; Moonshiram, D; Ray, D; Young, L; Pratt, S T; Southworth, S H

2016-05-23

New capabilities at X-ray free-electron laser facilities allow the generation of two-colour femtosecond X-ray pulses, opening the possibility of performing ultrafast studies of X-ray-induced phenomena. Particularly, the experimental realization of hetero-site-specific X-ray-pump/X-ray-probe spectroscopy is of special interest, in which an X-ray pump pulse is absorbed at one site within a molecule and an X-ray probe pulse follows the X-ray-induced dynamics at another site within the same molecule. Here we show experimental evidence of a hetero-site pump-probe signal. By using two-colour 10-fs X-ray pulses, we are able to observe the femtosecond time dependence for the formation of F ions during the fragmentation of XeF2 molecules following X-ray absorption at the Xe site.
Ultrafast X-Ray Spectroscopy of Conical Intersections

NASA Astrophysics Data System (ADS)

Neville, Simon P.; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

2018-06-01

Ongoing developments in ultrafast x-ray sources offer powerful new means of probing the complex nonadiabatically coupled structural and electronic dynamics of photoexcited molecules. These non-Born-Oppenheimer effects are governed by general electronic degeneracies termed conical intersections, which play a key role, analogous to that of a transition state, in the electronic-nuclear dynamics of excited molecules. Using high-level ab initio quantum dynamics simulations, we studied time-resolved x-ray absorption (TRXAS) and photoelectron spectroscopy (TRXPS) of the prototypical unsaturated organic chromophore, ethylene, following excitation to its S2(π π*) state. The TRXAS, in particular, is highly sensitive to all aspects of the ensuing dynamics. These x-ray spectroscopies provide a clear signature of the wave packet dynamics near conical intersections, related to charge localization effects driven by the nuclear dynamics. Given the ubiquity of charge localization in excited state dynamics, we believe that ultrafast x-ray spectroscopies offer a unique and powerful route to the direct observation of dynamics around conical intersections.
Electron trapping in evolving coronal structures during a large gradual hard X-ray/radio burst

NASA Technical Reports Server (NTRS)

Bruggmann, G.; Vilmer, N.; Klein, K.-L.; Kane, S. R.

1994-01-01

Gradual hard X-ray/radio bursts are characterized by their long duration, smooth time profile, time delays between peaks at different hard X-ray energies and microwaves, and radiation from extended sources in the low and middle corona. Their characteristic properties have been ascribed to the dynamic evolution of the accelerated electrons in coronal magnetic traps or to the separate acceleration of high-energy electrons in a 'second step' process. The information available so far was drawn from quality considerations of time profiles or even only from the common occurrence of emissions in different spectral ranges. This paper presents model computations of the temporal evolution of hard X-ray and microwave spectra, together with a qualitative discussion of radio lightcurves over a wide spectral range, and metric imaging observations. The basis hypothesis investigated is that the peculiar 'gradual' features can be related to the dynamical evolution of electrons injected over an extended time interval in a coronal trap, with electrons up to relativistic energies being injected simultaneously. The analyzed event (26 April. 1981) is particularly challenging to this hypothesis because of the long time delays between peaks at different X-ray energies and microwave frequencies. The observations are shown to be consistent with the hypothesis, provided that the electrons lose their energy by Coulomb collisions and possibly betatron deceleration. The access of the electrons to different coronal structures varies in the course of the event. The evolution and likely destabilization of part of the coronal plasma-magnetic field configuration is of crucial influence in determining the access to these structures and possibly the dynamical evolution of the trapped electrons through betatron deceleration in the late phase of the event.
Dynamic x-ray imaging of laser-driven nanoplasmas

NASA Astrophysics Data System (ADS)

Fennel, Thomas

2016-05-01

A major promise of current x-ray science at free electron lasers is the realization of unprecedented imaging capabilities for resolving the structure and ultrafast dynamics of matter with nanometer spatial and femtosecond temporal resolution or even below via single-shot x-ray diffraction. Laser-driven atomic clusters and nanoparticles provide an ideal platform for developing and demonstrating the required technology to extract the ultrafast transient spatiotemporal dynamics from the diffraction images. In this talk, the perspectives and challenges of dynamic x-ray imaging will be discussed using complete self-consistent microscopic electromagnetic simulations of IR pump x-ray probe imaging for the example of clusters. The results of the microscopic particle-in-cell simulations (MicPIC) enable the simulation-assisted reconstruction of corresponding experimental data. This capability is demonstrated by converting recently measured LCLS data into a ultrahigh resolution movie of laser-induced plasma expansion. Finally, routes towards reaching attosecond time resolution in the visualization of complex dynamical processes in matter by x-ray diffraction will be discussed.
Hetero-site-specific X-ray pump-probe spectroscopy for femtosecond intramolecular dynamics

DOE PAGES

Picón, A.; Lehmann, C. S.; Bostedt, C.; ...

2016-05-23

New capabilities at X-ray free-electron laser facilities allow the generation of two-colour femtosecond X-ray pulses, opening the possibility of performing ultrafast studies of X-ray-induced phenomena. Specifically, the experimental realization of hetero-site-specific X-ray-pump/X-ray-probe spectroscopy is of special interest, in which an X-ray pump pulse is absorbed at one site within a molecule and an X-ray probe pulse follows the X-ray-induced dynamics at another site within the same molecule. In this paper, we show experimental evidence of a hetero-site pump-probe signal. By using two-colour 10-fs X-ray pulses, we are able to observe the femtosecond time dependence for the formation of F ionsmore » during the fragmentation of XeF 2 molecules following X-ray absorption at the Xe site.« less
Direct Numerical Simulation of Liquid Nozzle Spray with Comparison to Shadowgraphy and X-Ray Computed Tomography Experimental Results

NASA Astrophysics Data System (ADS)

van Poppel, Bret; Owkes, Mark; Nelson, Thomas; Lee, Zachary; Sowell, Tyler; Benson, Michael; Vasquez Guzman, Pablo; Fahrig, Rebecca; Eaton, John; Kurman, Matthew; Kweon, Chol-Bum; Bravo, Luis

2014-11-01

In this work, we present high-fidelity Computational Fluid Dynamics (CFD) results of liquid fuel injection from a pressure-swirl atomizer and compare the simulations to experimental results obtained using both shadowgraphy and phase-averaged X-ray computed tomography (CT) scans. The CFD and experimental results focus on the dense near-nozzle region to identify the dominant mechanisms of breakup during primary atomization. Simulations are performed using the NGA code of Desjardins et al (JCP 227 (2008)) and employ the volume of fluid (VOF) method proposed by Owkes and Desjardins (JCP 270 (2013)), a second order accurate, un-split, conservative, three-dimensional VOF scheme providing second order density fluxes and capable of robust and accurate high density ratio simulations. Qualitative features and quantitative statistics are assessed and compared for the simulation and experimental results, including the onset of atomization, spray cone angle, and drop size and distribution.
Selection of stationary phase particle geometry using X-ray computed tomography and computational fluid dynamics simulations.

PubMed

Schmidt, Irma; Minceva, Mirjana; Arlt, Wolfgang

2012-02-17

The X-ray computed tomography (CT) is used to determine local parameters related to the column packing homogeneity and hydrodynamics in columns packed with spherically and irregularly shaped particles of same size. The results showed that the variation of porosity and axial dispersion coefficient along the column axis is insignificant, compared to their radial distribution. The methodology of using the data attained by CT measurements to perform a CFD simulation of a batch separation of model binary mixtures, with different concentration and separation factors is demonstrated. The results of the CFD simulation study show that columns packed with spherically shaped particles provide higher yield in comparison to columns packed with irregularly shaped particles only below a certain value of the separation factor. The presented methodology can be used for selecting a suited packing material for a particular separation task. Copyright © 2012 Elsevier B.V. All rights reserved.
Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths.

PubMed

Ross, Matthew; Andersen, Amity; Fox, Zachary W; Zhang, Yu; Hong, Kiryong; Lee, Jae-Hyuk; Cordones, Amy; March, Anne Marie; Doumy, Gilles; Southworth, Stephen H; Marcus, Matthew A; Schoenlein, Robert W; Mukamel, Shaul; Govind, Niranjan; Khalil, Munira

2018-05-17

We present a joint experimental and computational study of the hexacyanoferrate aqueous complexes at equilibrium in the 250 meV to 7.15 keV regime. The experiments and the computations include the vibrational spectroscopy of the cyanide ligands, the valence electronic absorption spectra, and Fe 1s core hole spectra using element-specific-resonant X-ray absorption and emission techniques. Density functional theory-based quantum mechanics/molecular mechanics molecular dynamics simulations are performed to generate explicit solute-solvent configurations, which serve as inputs for the spectroscopy calculations of the experiments spanning the IR to X-ray wavelengths. The spectroscopy simulations are performed at the same level of theory across this large energy window, which allows for a systematic comparison of the effects of explicit solute-solvent interactions in the vibrational, valence electronic, and core-level spectra of hexacyanoferrate complexes in water. Although the spectroscopy of hexacyanoferrate complexes in solution has been the subject of several studies, most of the previous works have focused on a narrow energy window and have not accounted for explicit solute-solvent interactions in their spectroscopy simulations. In this work, we focus our analysis on identifying how the local solvation environment around the hexacyanoferrate complexes influences the intensity and line shape of specific spectroscopic features in the UV/vis, X-ray absorption, and valence-to-core X-ray emission spectra. The identification of these features and their relationship to solute-solvent interactions is important because hexacyanoferrate complexes serve as model systems for understanding the photochemistry and photophysics of a large class of Fe(II) and Fe(III) complexes in solution.
Nebula: reconstruction and visualization of scattering data in reciprocal space.

PubMed

Reiten, Andreas; Chernyshov, Dmitry; Mathiesen, Ragnvald H

2015-04-01

Two-dimensional solid-state X-ray detectors can now operate at considerable data throughput rates that allow full three-dimensional sampling of scattering data from extended volumes of reciprocal space within second to minute time-scales. For such experiments, simultaneous analysis and visualization allows for remeasurements and a more dynamic measurement strategy. A new software, Nebula , is presented. It efficiently reconstructs X-ray scattering data, generates three-dimensional reciprocal space data sets that can be visualized interactively, and aims to enable real-time processing in high-throughput measurements by employing parallel computing on commodity hardware.
Nebula: reconstruction and visualization of scattering data in reciprocal space

PubMed Central

Reiten, Andreas; Chernyshov, Dmitry; Mathiesen, Ragnvald H.

2015-01-01

Two-dimensional solid-state X-ray detectors can now operate at considerable data throughput rates that allow full three-dimensional sampling of scattering data from extended volumes of reciprocal space within second to minute timescales. For such experiments, simultaneous analysis and visualization allows for remeasurements and a more dynamic measurement strategy. A new software, Nebula, is presented. It efficiently reconstructs X-ray scattering data, generates three-dimensional reciprocal space data sets that can be visualized interactively, and aims to enable real-time processing in high-throughput measurements by employing parallel computing on commodity hardware. PMID:25844083
X-ray absorption in insulators with non-Hermitian real-time time-dependent density functional theory.

PubMed

Fernando, Ranelka G; Balhoff, Mary C; Lopata, Kenneth

2015-02-10

Non-Hermitian real-time time-dependent density functional theory was used to compute the Si L-edge X-ray absorption spectrum of α-quartz using an embedded finite cluster model and atom-centered basis sets. Using tuned range-separated functionals and molecular orbital-based imaginary absorbing potentials, the excited states spanning the pre-edge to ∼20 eV above the ionization edge were obtained in good agreement with experimental data. This approach is generalizable to TDDFT studies of core-level spectroscopy and dynamics in a wide range of materials.
Hydrodynamic model for expansion and collisional relaxation of x-ray laser-excited multi-component nanoplasma

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

Saxena, Vikrant, E-mail: vikrant.saxena@desy.de; Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg; Ziaja, Beata, E-mail: ziaja@mail.desy.de

The irradiation of an atomic cluster with a femtosecond x-ray free-electron laser pulse results in a nanoplasma formation. This typically occurs within a few hundred femtoseconds. By this time the x-ray pulse is over, and the direct photoinduced processes no longer contributing. All created electrons within the nanoplasma are thermalized. The nanoplasma thus formed is a mixture of atoms, electrons, and ions of various charges. While expanding, it is undergoing electron impact ionization and three-body recombination. Below we present a hydrodynamic model to describe the dynamics of such multi-component nanoplasmas. The model equations are derived by taking the moments ofmore » the corresponding Boltzmann kinetic equations. We include the equations obtained, together with the source terms due to electron impact ionization and three-body recombination, in our hydrodynamic solver. Model predictions for a test case, expanding spherical Ar nanoplasma, are obtained. With this model, we complete the two-step approach to simulate x-ray created nanoplasmas, enabling computationally efficient simulations of their picosecond dynamics. Moreover, the hydrodynamic framework including collisional processes can be easily extended for other source terms and then applied to follow relaxation of any finite non-isothermal multi-component nanoplasma with its components relaxed into local thermodynamic equilibrium.« less
Observation of human tissue with phase-contrast x-ray computed tomography

NASA Astrophysics Data System (ADS)

Momose, Atsushi; Takeda, Tohoru; Itai, Yuji; Tu, Jinhong; Hirano, Keiichi

1999-05-01

Human tissues obtained from cancerous kidneys fixed in formalin were observed with phase-contrast X-ray computed tomography (CT) using 17.7-keV synchrotron X-rays. By measuring the distributions of the X-ray phase shift caused by samples using an X-ray interferometer, sectional images that map the distribution of the refractive index were reconstructed. Because of the high sensitivity of phase- contrast X-ray CT, a cancerous lesion was differentiated from normal tissue and a variety of other structures were revealed without the need for staining.
Atomistic three-dimensional coherent x-ray imaging of nonbiological systems

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

Ho, Phay J.; Knight, Chris; Tegze, Miklos

We computationally study the resolution limits for three-dimensional coherent x-ray diffractive imaging of heavy, nonbiological systems using Ar clusters as a prototype. We treat electronic and nuclear dynamics on an equal footing and remove the frozen-lattice approximation often used in electronic damage studies. We explore the achievable resolution as a function of pulse parameters (fluence level, pulse duration, and photon energy) and particle size. The contribution of combined lattice and electron dynamics is not negligible even for 2 fs pulses, and the Compton scattering is less deleterious than in biological systems for atomic-scale imaging. Although free-electron scattering represents a significantmore » background, we find that recovery of the original structure is in principle possible with 3 angstrom resolution for particles of 11 nm diameter.« less
The structure of aqueous sodium hydroxide solutions: a combined solution x-ray diffraction and simulation study.

PubMed

Megyes, Tünde; Bálint, Szabolcs; Grósz, Tamás; Radnai, Tamás; Bakó, Imre; Sipos, Pál

2008-01-28

To determine the structure of aqueous sodium hydroxide solutions, results obtained from x-ray diffraction and computer simulation (molecular dynamics and Car-Parrinello) have been compared. The capabilities and limitations of the methods in describing the solution structure are discussed. For the solutions studied, diffraction methods were found to perform very well in describing the hydration spheres of the sodium ion and yield structural information on the anion's hydration structure. Classical molecular dynamics simulations were not able to correctly describe the bulk structure of these solutions. However, Car-Parrinello simulation proved to be a suitable tool in the detailed interpretation of the hydration sphere of ions and bulk structure of solutions. The results of Car-Parrinello simulations were compared with the findings of diffraction experiments.

Atomistic three-dimensional coherent x-ray imaging of nonbiological systems

DOE PAGES

Ho, Phay J.; Knight, Chris; Tegze, Miklos; ...

2016-12-12

We computationally study the resolution limits for three-dimensional coherent x-ray diffractive imaging of heavy, nonbiological systems using Ar clusters as a prototype. We treat electronic and nuclear dynamics on an equal footing and remove the frozen-lattice approximation often used in electronic damage studies. We explore the achievable resolution as a function of pulse parameters (fluence level, pulse duration, and photon energy) and particle size. The contribution of combined lattice and electron dynamics is not negligible even for 2 fs pulses, and the Compton scattering is less deleterious than in biological systems for atomic-scale imaging. Although free-electron scattering represents a significantmore » background, we find that recovery of the original structure is in principle possible with 3 angstrom resolution for particles of 11 nm diameter.« less
X-ray phase imaging-From static observation to dynamic observation-

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

Momose, A.; Yashiro, W.; Olbinado, M. P.

2012-07-31

We are attempting to expand the technology of X-ray grating phase imaging/tomography to enable dynamic observation. X-ray phase imaging has been performed mainly for static cases, and this challenge is significant since properties of materials (and hopefully their functions) would be understood by observing their dynamics in addition to their structure, which is an inherent advantage of X-ray imaging. Our recent activities in combination with white synchrotron radiation for this purpose are described. Taking advantage of the fact that an X-ray grating interferometer functions with X-rays of a broad energy bandwidth (and therefore high flux), movies of differential phase imagesmore » and visibility images are obtained with a time resolution of a millisecond. The time resolution of X-ray phase tomography can therefore be a second. This study is performed as a part of a project to explore X-ray grating interferometry, and our other current activities are also briefly outlined.« less
X-ray Pump–Probe Investigation of Charge and Dissociation Dynamics in Methyl Iodine Molecule

DOE PAGES

Fang, Li; Xiong, Hui; Kukk, Edwin; ...

2017-05-19

Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up tomore » 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.« less
Interlaced X-ray diffraction computed tomography

PubMed Central

Vamvakeros, Antonios; Jacques, Simon D. M.; Di Michiel, Marco; Senecal, Pierre; Middelkoop, Vesna; Cernik, Robert J.; Beale, Andrew M.

2016-01-01

An X-ray diffraction computed tomography data-collection strategy that allows, post experiment, a choice between temporal and spatial resolution is reported. This strategy enables time-resolved studies on comparatively short timescales, or alternatively allows for improved spatial resolution if the system under study, or components within it, appear to be unchanging. The application of the method for studying an Mn–Na–W/SiO2 fixed-bed reactor in situ is demonstrated. Additionally, the opportunities to improve the data-collection strategy further, enabling post-collection tuning between statistical, temporal and spatial resolutions, are discussed. In principle, the interlaced scanning approach can also be applied to other pencil-beam tomographic techniques, like X-ray fluorescence computed tomography, X-ray absorption fine structure computed tomography, pair distribution function computed tomography and tomographic scanning transmission X-ray microscopy. PMID:27047305
Microscale reconstruction of biogeochemical substrates using multimode X-ray tomography and scanning electron microscopy

NASA Astrophysics Data System (ADS)

Miller, M.; Miller, E.; Liu, J.; Lund, R. M.; McKinley, J. P.

2012-12-01

X-ray computed tomography (CT), scanning electron microscopy (SEM), electron microprobe analysis (EMP), and computational image analysis are mature technologies used in many disciplines. Cross-discipline combination of these imaging and image-analysis technologies is the focus of this research, which uses laboratory and light-source resources in an iterative approach. The objective is to produce images across length scales, taking advantage of instrumentation that is optimized for each scale, and to unify them into a single compositional reconstruction. Initially, CT images will be collected using both x-ray absorption and differential phase contrast modes. The imaged sample will then be physically sectioned and the exposed surfaces imaged and characterized via SEM/EMP. The voxel slice corresponding to the physical sample surface will be isolated computationally, and the volumetric data will be combined with two-dimensional SEM images along CT image planes. This registration step will take advantage of the similarity between the X-ray absorption (CT) and backscattered electron (SEM) coefficients (both proportional to average atomic number in the interrogated volume) as well as the images' mutual information. Elemental and solid-phase distributions on the exposed surfaces, co-registered with SEM images, will be mapped using EMP. The solid-phase distribution will be propagated into three-dimensional space using computational methods relying on the estimation of compositional distributions derived from the CT data. If necessary, solid-phase and pore-space boundaries will be resolved using X-ray differential phase contrast tomography, x-ray fluorescence tomography, and absorption-edge microtomography at a light-source facility. Computational methods will be developed to register and model images collected over varying scales and data types. Image resolution, physically and dynamically, is qualitatively different for the electron microscopy and CT methodologies. Routine CT images are resolved at 10-20 μm, while SEM images are resolved at 10-20 nm; grayscale values vary according to collection time and instrument sensitivity; and compositional sensitivities via EMP vary in interrogation volume and scale. We have so far successfully registered SEM imagery within a multimode tomographic volume and have used standard methods to isolate pore space within the volume. We are developing a three-dimensional solid-phase identification and registration method that is constrained by bulk-sample X-ray diffraction Rietveld refinements. The results of this project will prove useful in fields that require the fine-scale definition of solid-phase distributions and relationships, and could replace more inefficient methods for making these estimations.
X-ray transmission movies of spontaneous dynamic events

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

Smilowitz, L.; Henson, B. F.; Holmes, M.

2014-11-15

We describe a new x-ray radiographic imaging system which allows for continuous x-ray transmission imaging of spontaneous dynamic events. We demonstrate this method on thermal explosions in three plastic bonded formulations of the energetic material octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine. We describe the x-ray imaging system and triggering developed to enable the continuous imaging of a thermal explosion.
High-Resolution X-Ray and Neutron Computed Tomography of an Engine Combustion Network Spray G Gasoline Injector

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

Duke, Daniel J.; Finney, Charles E. A.; Kastengren, Alan

Given the importance of the fuel-injection process on the combustion and emissions performance of gasoline direct injected engines, there has been significant recent interest in understanding the fluid dynamics within the injector, particularly around the needle and through the nozzles. Furthermore, the pressure losses and transients that occur in the flow passages above the needle are also of interest. Simulations of these injectors typically use the nominal design geometry, which does not always match the production geometry. Computed tomography (CT) using x-ray and neutron sources can be used to obtain the real geometry from production injectors, but there are trade-offsmore » in using these techniques. X-ray CT provides high resolution, but cannot penetrate through the thicker parts of the injector. Neutron CT has excellent penetrating power but lower resolution. Here, we present results from a joint effort to characterize a gasoline direct injector representative of the Spray G injector as defined by the Engine Combustion Network. High-resolution (1.2 to 3 µm) x-ray CT measurements from the Advanced Photon Source at Argonne National Laboratory were combined with moderate-resolution (40 µm) neutron CT measurements from the High Flux Isotope Reactor at Oak Ridge National Laboratory to generate a complete internal geometry for the injector. This effort combined the strengths of both facilities’ capabilities, with extremely fine spatially resolved features in the nozzles and injector tips and fine resolution of internal features of the needle along the length of injector. Analysis of the resulting surface model of the internal fluid flow volumes of the injector reveals how the internal cross-sectional area and nozzle hole geometry differs slightly from the design dimensions. A simplified numerical simulation of the internal flow shows how deviations from the design geometry can alter the flow inside the sac and holes. Our results of this study will provide computational modelers with very accurate solid and surface models for use in computational fluid dynamics studies and experimentalists with increased insight into the operating characteristics of their injectors.« less
High-Resolution X-Ray and Neutron Computed Tomography of an Engine Combustion Network Spray G Gasoline Injector

DOE PAGES

Duke, Daniel J.; Finney, Charles E. A.; Kastengren, Alan; ...

2017-03-14

Given the importance of the fuel-injection process on the combustion and emissions performance of gasoline direct injected engines, there has been significant recent interest in understanding the fluid dynamics within the injector, particularly around the needle and through the nozzles. Furthermore, the pressure losses and transients that occur in the flow passages above the needle are also of interest. Simulations of these injectors typically use the nominal design geometry, which does not always match the production geometry. Computed tomography (CT) using x-ray and neutron sources can be used to obtain the real geometry from production injectors, but there are trade-offsmore » in using these techniques. X-ray CT provides high resolution, but cannot penetrate through the thicker parts of the injector. Neutron CT has excellent penetrating power but lower resolution. Here, we present results from a joint effort to characterize a gasoline direct injector representative of the Spray G injector as defined by the Engine Combustion Network. High-resolution (1.2 to 3 µm) x-ray CT measurements from the Advanced Photon Source at Argonne National Laboratory were combined with moderate-resolution (40 µm) neutron CT measurements from the High Flux Isotope Reactor at Oak Ridge National Laboratory to generate a complete internal geometry for the injector. This effort combined the strengths of both facilities’ capabilities, with extremely fine spatially resolved features in the nozzles and injector tips and fine resolution of internal features of the needle along the length of injector. Analysis of the resulting surface model of the internal fluid flow volumes of the injector reveals how the internal cross-sectional area and nozzle hole geometry differs slightly from the design dimensions. A simplified numerical simulation of the internal flow shows how deviations from the design geometry can alter the flow inside the sac and holes. Our results of this study will provide computational modelers with very accurate solid and surface models for use in computational fluid dynamics studies and experimentalists with increased insight into the operating characteristics of their injectors.« less
Low Dose X-Ray Speckle Visibility Spectroscopy Reveals Nanoscale Dynamics in Radiation Sensitive Ionic Liquids

NASA Astrophysics Data System (ADS)

Verwohlt, Jan; Reiser, Mario; Randolph, Lisa; Matic, Aleksandar; Medina, Luis Aguilera; Madsen, Anders; Sprung, Michael; Zozulya, Alexey; Gutt, Christian

2018-04-01

X-ray radiation damage provides a serious bottleneck for investigating microsecond to second dynamics on nanometer length scales employing x-ray photon correlation spectroscopy. This limitation hinders the investigation of real time dynamics in most soft matter and biological materials which can tolerate only x-ray doses of kGy and below. Here, we show that this bottleneck can be overcome by low dose x-ray speckle visibility spectroscopy. Employing x-ray doses of 22-438 kGy and analyzing the sparse speckle pattern of count rates as low as 6.7 ×10-3 per pixel, we follow the slow nanoscale dynamics of an ionic liquid (IL) at the glass transition. At the prepeak of nanoscale order in the IL, we observe complex dynamics upon approaching the glass transition temperature TG with a freezing in of the alpha relaxation and a multitude of millisecond local relaxations existing well below TG . We identify this fast relaxation as being responsible for the increasing development of nanoscale order observed in ILs at temperatures below TG .
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
X-ray vision of fuel sprays.

PubMed

Wang, Jin

2005-03-01

With brilliant synchrotron X-ray sources, microsecond time-resolved synchrotron X-ray radiography and tomography have been used to elucidate the detailed three-dimensional structure and dynamics of high-pressure high-speed fuel sprays in the near-nozzle region. The measurement allows quantitative determination of the fuel distribution in the optically impenetrable region owing to the multiple scattering of visible light by small atomized fuel droplets surrounding the jet. X-radiographs of the jet-induced shock waves prove that the fuel jets become supersonic under appropriate injection conditions and that the quantitative analysis of the thermodynamic properties of the shock waves can also be derived from the most direct measurement. In other situations where extremely axial-asymmetric sprays are encountered, mass deconvolution and cross-sectional fuel distribution models can be computed based on the monochromatic and time-resolved X-radiographic images collected from various rotational orientations of the sprays. Such quantitative analysis reveals the never-before-reported characteristics and most detailed near-nozzle mass distribution of highly transient fuel sprays.
Low-dose x-ray tomography through a deep convolutional neural network

DOE PAGES

Yang, Xiaogang; De Andrade, Vincent; Scullin, William; ...

2018-02-07

Synchrotron-based X-ray tomography offers the potential of rapid large-scale reconstructions of the interiors of materials and biological tissue at fine resolution. However, for radiation sensitive samples, there remain fundamental trade-offs between damaging samples during longer acquisition times and reducing signals with shorter acquisition times. We present a deep convolutional neural network (CNN) method that increases the acquired X-ray tomographic signal by at least a factor of 10 during low-dose fast acquisition by improving the quality of recorded projections. Short exposure time projections enhanced with CNN show similar signal to noise ratios as compared with long exposure time projections and muchmore » lower noise and more structural information than low-dose fats acquisition without CNN. We optimized this approach using simulated samples and further validated on experimental nano-computed tomography data of radiation sensitive mouse brains acquired with a transmission X-ray microscopy. We demonstrate that automated algorithms can reliably trace brain structures in datasets collected with low dose-CNN. As a result, this method can be applied to other tomographic or scanning based X-ray imaging techniques and has great potential for studying faster dynamics in specimens.« less
Low-dose x-ray tomography through a deep convolutional neural network

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

Yang, Xiaogang; De Andrade, Vincent; Scullin, William

Synchrotron-based X-ray tomography offers the potential of rapid large-scale reconstructions of the interiors of materials and biological tissue at fine resolution. However, for radiation sensitive samples, there remain fundamental trade-offs between damaging samples during longer acquisition times and reducing signals with shorter acquisition times. We present a deep convolutional neural network (CNN) method that increases the acquired X-ray tomographic signal by at least a factor of 10 during low-dose fast acquisition by improving the quality of recorded projections. Short exposure time projections enhanced with CNN show similar signal to noise ratios as compared with long exposure time projections and muchmore » lower noise and more structural information than low-dose fats acquisition without CNN. We optimized this approach using simulated samples and further validated on experimental nano-computed tomography data of radiation sensitive mouse brains acquired with a transmission X-ray microscopy. We demonstrate that automated algorithms can reliably trace brain structures in datasets collected with low dose-CNN. As a result, this method can be applied to other tomographic or scanning based X-ray imaging techniques and has great potential for studying faster dynamics in specimens.« less
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
Progress of projection computed tomography by upgrading of the beamline 37XU of SPring-8

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

Terada, Yasuko, E-mail: yterada@spring8.or.jp; Suzuki, Yoshio; Uesugi, Kentaro

2016-01-28

Beamline 37XU at SPring-8 has been upgraded for nano-focusing applications. The length of the beamline has been extended to 80 m. By utilizing this length, the beamline has advantages for experiments such as X-ray focusing, X-ray microscopic imaging and X-ray computed tomography. Projection computed tomography measurements were carried out at experimental hutch 3 located 80 m from the light source. CT images of a microcapsule have been successfully obtained with a wide X-ray energy range.
Comparative static curing versus dynamic curing on tablet coating structures.

PubMed

Gendre, Claire; Genty, Muriel; Fayard, Barbara; Tfayli, Ali; Boiret, Mathieu; Lecoq, Olivier; Baron, Michel; Chaminade, Pierre; Péan, Jean Manuel

2013-09-10

Curing is generally required to stabilize film coating from aqueous polymer dispersion. This post-coating drying step is traditionally carried out in static conditions, requiring the transfer of solid dosage forms to an oven. But, curing operation performed directly inside the coating equipment stands for an attractive industrial application. Recently, the use of various advanced physico-chemical characterization techniques i.e., X-ray micro-computed tomography, vibrational spectroscopies (near infrared and Raman) and X-ray microdiffraction, allowed new insights into the film-coating structures of dynamically cured tablets. Dynamic curing end-point was efficiently determined after 4h. The aim of the present work was to elucidate the influence of curing conditions on film-coating structures. Results demonstrated that 24h of static curing and 4h of dynamic curing, both performed at 60°C and ambient relative humidity, led to similar coating layers in terms of drug release properties, porosity, water content, structural rearrangement of polymer chains and crystalline distribution. Furthermore, X-ray microdiffraction measurements pointed out different crystalline coating compositions depending on sample storage time. An aging mechanism might have occur during storage, resulting in the crystallization and the upward migration of cetyl alcohol, coupled to the downward migration of crystalline sodium lauryl sulfate within the coating layer. Interestingly, this new study clearly provided further knowledge into film-coating structures after a curing step and confirmed that curing operation could be performed in dynamic conditions. Copyright © 2013 Elsevier B.V. All rights reserved.
CONTIN XPCS: Software for Inverse Transform Analysis of X-Ray Photon Correlation Spectroscopy Dynamics

PubMed Central

Narayanan, Suresh; Zhang, Fan; Kuzmenko, Ivan; Ilavsky, Jan

2018-01-01

X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) both reveal dynamics using coherent scattering, but X-rays permit investigating of dynamics in a much more diverse array of materials. Heterogeneous dynamics occur in many such materials, and we showed how classic tools employed in analysis of heterogeneous DLS dynamics extend to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. This work presents the software implementation of inverse transform analysis of XPCS data called CONTIN XPCS, an extension of traditional CONTIN that accommodates dynamics encountered in equilibrium XPCS measurements. PMID:29875507
CONTIN XPCS: Software for Inverse Transform Analysis of X-Ray Photon Correlation Spectroscopy Dynamics.

PubMed

Andrews, Ross N; Narayanan, Suresh; Zhang, Fan; Kuzmenko, Ivan; Ilavsky, Jan

2018-02-01

X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) both reveal dynamics using coherent scattering, but X-rays permit investigating of dynamics in a much more diverse array of materials. Heterogeneous dynamics occur in many such materials, and we showed how classic tools employed in analysis of heterogeneous DLS dynamics extend to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. This work presents the software implementation of inverse transform analysis of XPCS data called CONTIN XPCS, an extension of traditional CONTIN that accommodates dynamics encountered in equilibrium XPCS measurements.
Accuracy of remote chest X-ray interpretation using Google Glass technology.

PubMed

Spaedy, Emily; Christakopoulos, Georgios E; Tarar, Muhammad Nauman J; Christopoulos, Georgios; Rangan, Bavana V; Roesle, Michele; Ochoa, Cristhiaan D; Yarbrough, William; Banerjee, Subhash; Brilakis, Emmanouil S

2016-09-15

We sought to explore the accuracy of remote chest X-ray reading using hands-free, wearable technology (Google Glass, Google, Mountain View, California). We compared interpretation of twelve chest X-rays with 23 major cardiopulmonary findings by faculty and fellows from cardiology, radiology, and pulmonary-critical care via: (1) viewing the chest X-ray image on the Google Glass screen; (2) viewing a photograph of the chest X-ray taken using Google Glass and interpreted on a mobile device; (3) viewing the original chest X-ray on a desktop computer screen. One point was given for identification of each correct finding and a subjective rating of user experience was recorded. Fifteen physicians (5 faculty and 10 fellows) participated. The average chest X-ray reading score (maximum 23 points) as viewed through the Google Glass, Google Glass photograph on a mobile device, and the original X-ray viewed on a desktop computer was 14.1±2.2, 18.5±1.5 and 21.3±1.7, respectively (p<0.0001 between Google Glass and mobile device, p<0.0001 between Google Glass and desktop computer and p=0.0004 between mobile device and desktop computer). Of 15 physicians, 11 (73.3%) felt confident in detecting findings using the photograph taken by Google Glass as viewed on a mobile device. Remote chest X-ray interpretation using hands-free, wearable technology (Google Glass) is less accurate than interpretation using a desktop computer or a mobile device, suggesting that further technical improvements are needed before widespread application of this novel technology. Published by Elsevier Ireland Ltd.

Human thyroid specimen imaging by fluorescent x-ray computed tomography with synchrotron radiation

NASA Astrophysics Data System (ADS)

Takeda, Tohoru; Yu, Quanwen; Yashiro, Toru; Yuasa, Tetsuya; Hasegawa, Yasuo; Itai, Yuji; Akatsuka, Takao

1999-09-01

Fluorescent x-ray computed tomography (FXCT) is being developed to detect non-radioactive contrast materials in living specimens. The FXCT system consists of a silicon (111) channel cut monochromator, an x-ray slit and a collimator for fluorescent x ray 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 fluorescent K(alpha) line, incident monochromatic x-ray was set at 37 keV. The FXCT clearly imaged a human thyroid gland and iodine content was estimated quantitatively. In a case of hyperthyroidism, the two-dimensional distribution of iodine content was not uniform, and thyroid cancer had a small amount of iodine. FXCT can be used to detect iodine within thyroid gland quantitatively and to delineate its distribution.
X-Ray Radiography of Gas Turbine Ceramics.

DTIC Science & Technology

1979-10-20

Microfocus X-ray equipment. 1a4ihe definition of equipment concepts for a computer assisted tomography ( CAT ) system; and 4ffthe development of a CAT ...were obtained from these test coupons using Microfocus X-ray and image en- hancement techniques. A Computer Assisted Tomography ( CAT ) design concept...monitor. Computer reconstruction algorithms were investigated with respect to CAT and a preferred approach was determined. An appropriate CAT algorithm
Dynamical effects in Bragg coherent x-ray diffraction imaging of finite crystals

NASA Astrophysics Data System (ADS)

Shabalin, A. G.; Yefanov, O. M.; Nosik, V. L.; Bushuev, V. A.; Vartanyants, I. A.

2017-08-01

We present simulations of Bragg coherent x-ray diffractive imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on a numerical solution of modified Takagi-Taupin equations and can be applied for modeling of a broad range of x-ray diffraction experiments with finite three-dimensional crystals of arbitrary shape also in the presence of strain. We performed simulations for nanocrystals of a cubic and hemispherical shape of different sizes and provided a detailed analysis of artifacts in the Bragg CXDI reconstructions introduced by the dynamical diffraction. Based on our theoretical analysis we developed an analytical procedure to treat effects of refraction and absorption in the reconstruction. Our results elucidate limitations for the kinematical approach in the Bragg CXDI and suggest a natural criterion to distinguish between kinematical and dynamical cases in coherent x-ray diffraction on a finite crystal.
High contrast computed tomography with synchrotron radiation

NASA Astrophysics Data System (ADS)

Itai, Yuji; Takeda, Tohoru; Akatsuka, Takao; Maeda, Tomokazu; Hyodo, Kazuyuki; Uchida, Akira; Yuasa, Tetsuya; Kazama, Masahiro; Wu, Jin; Ando, Masami

1995-02-01

This article describes a new monochromatic x-ray CT system using synchrotron radiation with applications in biomedical diagnosis which is currently under development. The system is designed to provide clear images and to detect contrast materials at low concentration for the quantitative functional evaluation of organs in correspondence with their anatomical structures. In this system, with x-ray energy changing from 30 to 52 keV, images can be obtained to detect various contrast materials (iodine, barium, and gadolinium), and K-edge energy subtraction is applied. Herein, the features of the new system designed to enhance the advantages of SR are reported. With the introduction of a double-crystal monochromator, the high-order x-ray contamination is eliminated. The newly designed CCD detector with a wide dynamic range of 60 000:1 has a spatial resolution of 200 μm. The resulting image quality, which is expected to show improved contrast and spatial resolution, is currently under investigation.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, Li; Xiong, Hui; Kukk, Edwin

Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up tomore » 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.« less
Inter- and intraobserver reliability of the vertebral, local and segmental kyphosis in 120 traumatic lumbar and thoracic burst fractures: evaluation in lateral X-rays and sagittal computed tomographies

PubMed Central

Brunner, Alexander; Gühring, Markus; Schmälzle, Traude; Weise, Kuno; Badke, Andreas

2009-01-01

Evaluation of the kyphosis angle in thoracic and lumbar burst fractures is often used to indicate surgical procedures. The kyphosis angle could be measured as vertebral, segmental and local kyphosis according to the method of Cobb. The vertebral, segmental and local kyphosis according to the method of Cobb were measured at 120 lateral X-rays and sagittal computed tomographies of 60 thoracic and 60 lumbar burst fractures by 3 independent observers on 2 separate occasions. Osteoporotic fractures were excluded. The intra- and interobserver reliability of these angles in X-ray and computed tomogram, using the intra class correlation coefficient (ICC) were evaluated. Highest reproducibility showed the segmental kyphosis followed by the vertebral kyphosis. For thoracic fractures segmental kyphosis shows in X-ray “excellent” inter- and intraobserver reliabilities (ICC 0.826, 0.802) and for lumbar fractures “good” to “excellent” inter- and intraobserver reliabilities (ICC = 0.790, 0.803). In computed tomography, the segmental kyphosis showed “excellent” inter- and intraobserver reliabilities (ICC = 0.824, 0.801) for thoracic and “excellent” inter- and intraobserver reliabilities (ICC = 0.874, 0.835) for the lumbar fractures. Regarding both diagnostic work ups (X-ray and computed tomography), significant differences were evaluated in interobserver reliabilities for vertebral kyphosis measured in lumbar fracture X-rays (p = 0.035) and interobserver reliabilities for local kyphosis, measured in thoracic fracture X-rays (p = 0.010). Regarding both fracture localizations (thoracic and lumbar fractures), significant differences could only be evaluated in interobserver reliabilities for the local kyphosis measured in computed tomographies (p = 0.045) and in intraobserver reliabilities for the vertebral kyphosis measured in X-rays (p = 0.024). “Good” to “excellent” inter- and intraobserver reliabilities for vertebral, segmental and local kyphosis in X-ray make these angles to a helpful tool, indicating surgical procedures. For the practical use in lateral X-ray, we emphasize the determination of the segmental kyphosis, because of the highest reproducibility of this angle. “Good” to “excellent” inter- and intraobserver reliabilities for these three angles could also be evaluated in computed tomographies. Therefore, also in computed tomography, the use of these three angles seems to be generally possible. For a direct correlation of the results in lateral X-ray and in computed tomography, further studies should be needed. PMID:19953277
Monochromatic x-ray radiography for areal-density measurement of inertial fusion energy fuel in fast ignition experiment.

PubMed

Fujioka, Shinsuke; Fujiwara, Takashi; Tanabe, Minoru; Nishimura, Hiroaki; Nagatomo, Hideo; Ohira, Shinji; Inubushi, Yuichi; Shiraga, Hiroyuki; Azechi, Hiroshi

2010-10-01

Ultrafast, two-dimensional x-ray imaging is an important diagnostics for the inertial fusion energy research, especially in investigating implosion dynamics at the final stage of the fuel compression. Although x-ray radiography was applied to observing the implosion dynamics, intense x-rays emitted from the high temperature and dense fuel core itself are often superimposed on the radiograph. This problem can be solved by coupling the x-ray radiography with monochromatic x-ray imaging technique. In the experiment, 2.8 or 5.2 keV backlight x-rays emitted from laser-irradiated polyvinyl chloride or vanadium foils were selectively imaged by spherically bent quartz crystals with discriminating the out-of-band emission from the fuel core. This x-ray radiography system achieved 24 μm and 100 ps of spatial and temporal resolutions, respectively.
Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

NASA Astrophysics Data System (ADS)

Neville, Simon P.; Averbukh, Vitali; Ruberti, Marco; Yun, Renjie; Patchkovskii, Serguei; Chergui, Majed; Stolow, Albert; Schuurman, Michael S.

2016-10-01

We investigate the sensitivity of X-ray absorption spectra, simulated using a general method, to properties of molecular excited states. Recently, Averbukh and co-workers [M. Ruberti et al., J. Chem. Phys. 140, 184107 (2014)] introduced an efficient and accurate L 2 method for the calculation of excited state valence photoionization cross-sections based on the application of Stieltjes imaging to the Lanczos pseudo-spectrum of the algebraic diagrammatic construction (ADC) representation of the electronic Hamiltonian. In this paper, we report an extension of this method to the calculation of excited state core photoionization cross-sections. We demonstrate that, at the ADC(2)x level of theory, ground state X-ray absorption spectra may be accurately reproduced, validating the method. Significantly, the calculated X-ray absorption spectra of the excited states are found to be sensitive to both geometric distortions (structural dynamics) and the electronic character (electronic dynamics) of the initial state, suggesting that core excitation spectroscopies will be useful probes of excited state non-adiabatic dynamics. We anticipate that the method presented here can be combined with ab initio molecular dynamics calculations to simulate the time-resolved X-ray spectroscopy of excited state molecular wavepacket dynamics.
Single-pulse x-ray diffraction using polycapillary optics for in situ dynamic diffraction

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

Maddox, B. R., E-mail: maddox3@llnl.gov; Akin, M. C., E-mail: akin1@llnl.gov; Teruya, A.

2016-08-15

Diagnostic use of single-pulse x-ray diffraction (XRD) at pulsed power facilities can be challenging due to factors such as the high flux and brightness requirements for diffraction and the geometric constraints of experimental platforms. By necessity, the x-ray source is usually positioned very close, within a few inches of the sample. On dynamic compression platforms, this puts the x-ray source in the debris field. We coupled x-ray polycapillary optics to a single-shot needle-and-washer x-ray diode source using a laser-based alignment scheme to obtain high-quality x-ray diffraction using a single 16 ns x-ray pulse with the source >1 m from themore » sample. The system was tested on a Mo sample in reflection geometry using 17 keV x-rays from a Mo anode. We also identified an anode conditioning effect that increased the x-ray intensity by 180%. Quantitative measurements of the x-ray focal spot produced by the polycapillary yielded a total x-ray flux on the sample of 3.3 ± 0.5 × 10{sup 7} molybdenum Kα photons.« less
Calibration of high-dynamic-range, finite-resolution x-ray pulse-height spectrometers for extracting electron energy distribution data from the PFRC-2 device

NASA Astrophysics Data System (ADS)

Swanson, C.; Jandovitz, P.; Cohen, S. A.

2017-10-01

Knowledge of the full x-ray energy distribution function (XEDF) emitted from a plasma over a large dynamic range of energies can yield valuable insights about the electron energy distribution function (EEDF) of that plasma and the dynamic processes that create them. X-ray pulse height detectors such as Amptek's X-123 Fast SDD with Silicon Nitride window can detect x-rays in the range of 200eV to 100s of keV. However, extracting EEDF from this measurement requires precise knowledge of the detector's response function. This response function, including the energy scale calibration, the window transmission function, and the resolution function, can be measured directly. We describe measurements of this function from x-rays from a mono-energetic electron beam in a purpose-built gas-target x-ray tube. Large-Z effects such as line radiation, nuclear charge screening, and polarizational Bremsstrahlung are discussed.
Phase-contrast x-ray computed tomography for biological imaging

NASA Astrophysics Data System (ADS)

Momose, Atsushi; Takeda, Tohoru; Itai, Yuji

1997-10-01

We have shown so far that 3D structures in biological sot tissues such as cancer can be revealed by phase-contrast x- ray computed tomography using an x-ray interferometer. As a next step, we aim at applications of this technique to in vivo observation, including radiographic applications. For this purpose, the size of view field is desired to be more than a few centimeters. Therefore, a larger x-ray interferometer should be used with x-rays of higher energy. We have evaluated the optimal x-ray energy from an aspect of does as a function of sample size. Moreover, desired spatial resolution to an image sensor is discussed as functions of x-ray energy and sample size, basing on a requirement in the analysis of interference fringes.
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
Coherent X-ray Scattering from Liquid-Air Interfaces

NASA Astrophysics Data System (ADS)

Shpyrko, Oleg

Advances in synchrotron x-ray scattering techniques allow studies of structure and dynamics of liquid surfaces with unprecedented resolution. I will review x-ray scattering measurements of thermally excited capillary fluctuations in liquids, thin polymer liquid films and polymer surfaces in confined geometry. X-ray Diffuse scattering profile due to Debye-Waller like roughening of the surface allows to probe the distribution of capillary fluctuations over a wide range of length scales, while using X-ray Photon Correlation Spectroscopy (XPCS) one is able to directly couple to nanoscale dynamics of these surface fluctuations, over a wide range of temporal and spacial scales. I will also discuss recent XPCS measurements of lateral diffusion dynamics in Langmuir monolayers assembled at the liquid-air interface. This research was supported by NSF CAREER Grant 0956131.
What can we learn from in-soil imaging of a live plant: X-ray Computed Tomography and 3D numerical simulation of root-soil system

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

Yang, Xiaofan; Varga, Tamas; Liu, Chongxuan

Plant roots play a critical role in plant-soil-microbe interactions that occur in the rhizosphere. X-ray Computed Tomography (XCT) has been proven to be an effective tool for non-invasive root imaging and analysis. A combination of XCT, open-source software, and in-house developed code was used to non-invasively image a prairie dropseed (Sporobolus heterolepis) specimen, segment the root data to obtain a 3D image of the root structure, and extract quantitative information from the 3D data, respectively. Based on the explicitly-resolved root structure, pore-scale computational fluid dynamics (CFD) simulations were applied to numerically investigate the root-soil-groundwater system. The plant root conductivity, soilmore » hydraulic conductivity and transpiration rate were shown to control the groundwater distribution. Furthermore, the coupled imaging-modeling approach demonstrates a realistic platform to investigate rhizosphere flow processes and would be feasible to provide useful information linked to upscaled models.« less
What can we learn from in-soil imaging of a live plant: X-ray Computed Tomography and 3D numerical simulation of root-soil system

DOE PAGES

Yang, Xiaofan; Varga, Tamas; Liu, Chongxuan; ...

2017-05-04

Plant roots play a critical role in plant-soil-microbe interactions that occur in the rhizosphere. X-ray Computed Tomography (XCT) has been proven to be an effective tool for non-invasive root imaging and analysis. A combination of XCT, open-source software, and in-house developed code was used to non-invasively image a prairie dropseed (Sporobolus heterolepis) specimen, segment the root data to obtain a 3D image of the root structure, and extract quantitative information from the 3D data, respectively. Based on the explicitly-resolved root structure, pore-scale computational fluid dynamics (CFD) simulations were applied to numerically investigate the root-soil-groundwater system. The plant root conductivity, soilmore » hydraulic conductivity and transpiration rate were shown to control the groundwater distribution. Furthermore, the coupled imaging-modeling approach demonstrates a realistic platform to investigate rhizosphere flow processes and would be feasible to provide useful information linked to upscaled models.« less
TomoBank: a tomographic data repository for computational x-ray science

DOE PAGES

De Carlo, Francesco; Gürsoy, Doğa; Ching, Daniel J.; ...

2018-02-08

There is a widening gap between the fast advancement of computational methods for tomographic reconstruction and their successful implementation in production software at various synchrotron facilities. This is due in part to the lack of readily available instrument datasets and phantoms representative of real materials for validation and comparison of new numerical methods. Recent advancements in detector technology made sub-second and multi-energy tomographic data collection possible [1], but also increased the demand to develop new reconstruction methods able to handle in-situ [2] and dynamic systems [3] that can be quickly incorporated in beamline production software [4]. The X-ray Tomography Datamore » Bank, tomoBank, provides a repository of experimental and simulated datasets with the aim to foster collaboration among computational scientists, beamline scientists, and experimentalists and to accelerate the development and implementation of tomographic reconstruction methods for synchrotron facility production software by providing easy access to challenging dataset and their descriptors.« 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
Ray tracing method for the evaluation of grazing incidence x-ray telescopes described by spatially sampled surfaces.

PubMed

Yu, Jun; Shen, Zhengxiang; Sheng, Pengfeng; Wang, Xiaoqiang; Hailey, Charles J; Wang, Zhanshan

2018-03-01

The nested grazing incidence telescope can achieve a large collecting area in x-ray astronomy, with a large number of closely packed, thin conical mirrors. Exploiting the surface metrological data, the ray tracing method used to reconstruct the shell surface topography and evaluate the imaging performance is a powerful tool to assist iterative improvement in the fabrication process. However, current two-dimensional (2D) ray tracing codes, especially when utilized with densely sampled surface shape data, may not provide sufficient accuracy of reconstruction and are computationally cumbersome. In particular, 2D ray tracing currently employed considers coplanar rays and thus simulates only these rays along the meridional plane. This captures axial figure errors but leaves other important errors, such as roundness errors, unaccounted for. We introduce a semianalytic, three-dimensional (3D) ray tracing approach for x-ray optics that overcomes these shortcomings. And the present method is both computationally fast and accurate. We first introduce the principles and the computational details of this 3D ray tracing method. Then the computer simulations of this approach compared to 2D ray tracing are demonstrated, using an ideal conic Wolter-I telescope for benchmarking. Finally, the present 3D ray tracing is used to evaluate the performance of a prototype x-ray telescope fabricated for the enhanced x-ray timing and polarization mission.
Microfocal X-ray computed tomography post-processing operations for optimizing reconstruction volumes of stented arteries during 3D computational fluid dynamics modeling.

PubMed

Ladisa, John F; Olson, Lars E; Ropella, Kristina M; Molthen, Robert C; Haworth, Steven T; Kersten, Judy R; Warltier, David C; Pagel, Paul S

2005-08-01

Restenosis caused by neointimal hyperplasia (NH) remains an important clinical problem after stent implantation. Restenosis varies with stent geometry, and idealized computational fluid dynamics (CFD) models have indicated that geometric properties of the implanted stent may differentially influence NH. However, 3D studies capturing the in vivo flow domain within stented vessels have not been conducted at a resolution sufficient to detect subtle alterations in vascular geometry caused by the stent and the subsequent temporal development of NH. We present the details and limitations of a series of post-processing operations used in conjunction with microfocal X-ray CT imaging and reconstruction to generate geometrically accurate flow domains within the localized region of a stent several weeks after implantation. Microfocal X-ray CT reconstruction volumes were subjected to an automated program to perform arterial thresholding, spatial orientation, and surface smoothing of stented and unstented rabbit iliac arteries several weeks after antegrade implantation. A transfer function was obtained for the current post-processing methodology containing reconstructed 16 mm stents implanted into rabbit iliac arteries for up to 21 days after implantation and resolved at circumferential and axial resolutions of 32 and 50 microm, respectively. The results indicate that the techniques presented are sufficient to resolve distributions of WSS with 80% accuracy in segments containing 16 surface perturbations over a 16 mm stented region. These methods will be used to test the hypothesis that reductions in normalized wall shear stress (WSS) and increases in the spatial disparity of WSS immediately after stent implantation may spatially correlate with the temporal development of NH within the stented region.
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.
Configuring and Characterizing X-Rays for Laser-Driven Compression Experiments at the Dynamic Compression Sector

NASA Astrophysics Data System (ADS)

Li, Y.; Capatina, D.; D'Amico, K.; Eng, P.; Hawreliak, J.; Graber, T.; Rickerson, D.; Klug, J.; Rigg, P. A.; Gupta, Y. M.

2017-06-01

Coupling laser-driven compression experiments to the x-ray beam at the Dynamic Compression Sector (DCS) at the Advanced Photon Source (APS) of Argonne National Laboratory requires state-of-the-art x-ray focusing, pulse isolation, and diagnostics capabilities. The 100J UV pulsed laser system can be fired once every 20 minutes so precise alignment and focusing of the x-rays on each new sample must be fast and reproducible. Multiple Kirkpatrick-Baez (KB) mirrors are used to achieve a focal spot size as small as 50 μm at the target, while the strategic placement of scintillating screens, cameras, and detectors allows for fast diagnosis of the beam shape, intensity, and alignment of the sample to the x-ray beam. In addition, a series of x-ray choppers and shutters are used to ensure that the sample is exposed to only a single x-ray pulse ( 80ps) during the dynamic compression event and require highly precise synchronization. Details of the technical requirements, layout, and performance of these instruments will be presented. Work supported by DOE/NNSA.
Development of a revolute-joint robot for the precision positioning of an x-ray detector

NASA Astrophysics Data System (ADS)

Preissner, Curt A.; Royston, Thomas J.; Shu, Deming

2003-10-01

This paper profiles the initial phase in the development of a six degree-of-freedom robot, with 1 μm dynamic positioning uncertainty, for the manipulation of x-ray detectors or test specimens at the Advanced Photon Source (APS). While revolute-joint robot manipulators exhibit a smaller footprint along with increased positioning flexibility compared to Cartesian manipulators, commercially available revolute-joint manipulators do not meet our size, positioning, or environmental specifications. Currently, a robot with 20 μm dynamic positioning uncertainty is functioning at the APS for cryogenic crystallography sample pick-and-place operation. Theoretical, computational and experimental procedures are being used to (1) identify and (2) simulate the dynamics of the present robot system using a multibody approach, including the mechanics and control architecture, and eventually to (3) design an improved version with a 1 μm dynamic positioning uncertainty. We expect that the preceding experimental and theoretical techniques will be useful design and analysis tools as multi-degree-of-freedom manipulators become more prevalent on synchrotron beamlines.
Computational Methods for Nanoscale X-ray Computed Tomography Image Analysis of Fuel Cell and Battery Materials

NASA Astrophysics Data System (ADS)

Kumar, Arjun S.

Over the last fifteen years, there has been a rapid growth in the use of high resolution X-ray computed tomography (HRXCT) imaging in material science applications. We use it at nanoscale resolutions up to 50 nm (nano-CT) for key research problems in large scale operation of polymer electrolyte membrane fuel cells (PEMFC) and lithium-ion (Li-ion) batteries in automotive applications. PEMFC are clean energy sources that electrochemically react with hydrogen gas to produce water and electricity. To reduce their costs, capturing their electrode nanostructure has become significant in modeling and optimizing their performance. For Li-ion batteries, a key challenge in increasing their scope for the automotive industry is Li metal dendrite growth. Li dendrites are structures of lithium with 100 nm features of interest that can grow chaotically within a battery and eventually lead to a short-circuit. HRXCT imaging is an effective diagnostics tool for such applications as it is a non-destructive method of capturing the 3D internal X-ray absorption coefficient of materials from a large series of 2D X-ray projections. Despite a recent push to use HRXCT for quantitative information on material samples, there is a relative dearth of computational tools in nano-CT image processing and analysis. Hence, we focus on developing computational methods for nano-CT image analysis of fuel cell and battery materials as required by the limitations in material samples and the imaging environment. The first problem we address is the segmentation of nano-CT Zernike phase contrast images. Nano-CT instruments are equipped with Zernike phase contrast optics to distinguish materials with a low difference in X-ray absorption coefficient by phase shifting the X-ray wave that is not diffracted by the sample. However, it creates image artifacts that hinder the use of traditional image segmentation techniques. To restore such images, we setup an inverse problem by modeling the X-ray phase contrast optics. We solve for the artifact-free images through an optimization function that uses novel edge detection and fast image interpolation methods. We use this optics-based segmentation method in two main research problems - 1) the characterization of a failure mechanism in the internal structure of Li-ion battery electrodes and 2) the measurement of Li metal dendrite morphology for different current and temperature parameters of Li-ion battery cell operation. The second problem we address is the development of a space+time (4D) reconstruction method for in-operando imaging of samples undergoing temporal change, particularly for X-ray sources with low throughput and nanoscale spatial resolutions. The challenge in using such systems is achieving a sufficient temporal resolution despite exposure times of a 2D projection on the order of 1 minute. We develop a 4D dynamic X-ray computed tomography (CT) reconstruction method, capable of reconstructing a temporal 3D image every 2 to 8 projections. Its novel properties are its projection angle sequence and the probabilistic detection of experimental change. We show its accuracy on phantom and experimental datasets to show its promise in temporally resolving Li metal dendrite growth and in elucidating mitigation strategies.
Special functions of valve organs of blood-sucking female mosquitoes

NASA Astrophysics Data System (ADS)

Kim, Boheum; Lee, Sangjoon

2010-11-01

Food-feeding insects usually have valve organs to regulate the sucking flow effectively. Female mosquitoes sucking lots of blood instantaneously have a unique valve system between two pumping organs located in their head. The valve system seems to prevent reverse flow and to grind granule particles such as red blood cells. To understand the functional characteristics of this valve organ in detail, the volumetric flow rate passing through the valves and their interaction with the two-pumps need to be investigated. However, it is very difficult to observe the dynamic behaviors of pumping organs and valve system. In this study, the dynamic motions of valve organs of blood-sucking female mosquitoes were observed under in vivo condition using synchrotron X-ray micro imaging technique. X-ray micro computed tomography was also employed to examine the three-dimensional internal structure of the blood pumping system including valve organs.
Characterization of Protein Flexibility Using Small-Angle X-Ray Scattering and Amplified Collective Motion Simulations

PubMed Central

Wen, Bin; Peng, Junhui; Zuo, Xiaobing; Gong, Qingguo; Zhang, Zhiyong

2014-01-01

Large-scale flexibility within a multidomain protein often plays an important role in its biological function. Despite its inherent low resolution, small-angle x-ray scattering (SAXS) is well suited to investigate protein flexibility and determine, with the help of computational modeling, what kinds of protein conformations would coexist in solution. In this article, we develop a tool that combines SAXS data with a previously developed sampling technique called amplified collective motions (ACM) to elucidate structures of highly dynamic multidomain proteins in solution. We demonstrate the use of this tool in two proteins, bacteriophage T4 lysozyme and tandem WW domains of the formin-binding protein 21. The ACM simulations can sample the conformational space of proteins much more extensively than standard molecular dynamics (MD) simulations. Therefore, conformations generated by ACM are significantly better at reproducing the SAXS data than are those from MD simulations. PMID:25140431
Advanced Computed-Tomography Inspection System

NASA Technical Reports Server (NTRS)

Harris, Lowell D.; Gupta, Nand K.; Smith, Charles R.; Bernardi, Richard T.; Moore, John F.; Hediger, Lisa

1993-01-01

Advanced Computed Tomography Inspection System (ACTIS) is computed-tomography x-ray apparatus revealing internal structures of objects in wide range of sizes and materials. Three x-ray sources and adjustable scan geometry gives system unprecedented versatility. Gantry contains translation and rotation mechanisms scanning x-ray beam through object inspected. Distance between source and detector towers varied to suit object. System used in such diverse applications as development of new materials, refinement of manufacturing processes, and inspection of components.
Modeling the Hydration Layer around Proteins: Applications to Small- and Wide-Angle X-Ray Scattering

PubMed Central

Virtanen, Jouko Juhani; Makowski, Lee; Sosnick, Tobin R.; Freed, Karl F.

2011-01-01

Small-/wide-angle x-ray scattering (SWAXS) experiments can aid in determining the structures of proteins and protein complexes, but success requires accurate computational treatment of solvation. We compare two methods by which to calculate SWAXS patterns. The first approach uses all-atom explicit-solvent molecular dynamics (MD) simulations. The second, far less computationally expensive method involves prediction of the hydration density around a protein using our new HyPred solvation model, which is applied without the need for additional MD simulations. The SWAXS patterns obtained from the HyPred model compare well to both experimental data and the patterns predicted by the MD simulations. Both approaches exhibit advantages over existing methods for analyzing SWAXS data. The close correspondence between calculated and observed SWAXS patterns provides strong experimental support for the description of hydration implicit in the HyPred model. PMID:22004761
Probing the dynamical and X-ray mass proxies of the cluster of galaxies Abell S1101

NASA Astrophysics Data System (ADS)

Rabitz, Andreas; Zhang, Yu-Ying; Schwope, Axel; Verdugo, Miguel; Reiprich, Thomas H.; Klein, Matthias

2017-01-01

Context. The galaxy cluster Abell S1101 (S1101 hereafter) deviates significantly from the X-ray luminosity versus velocity dispersion relation (L-σ) of galaxy clusters in our previous study. Given reliable X-ray luminosity measurement combining XMM-Newton and ROSAT, this could most likely be caused by the bias in the velocity dispersion due to interlopers and low member statistic in the previous sample of member galaxies, which was solely based on 20 galaxy redshifts drawn from the literature. Aims: We intend to increase the galaxy member statistics to perform precision measurements of the velocity dispersion and dynamical mass of S1101. We aim for a detailed substructure and dynamical state characterization of this cluster, and a comparison of mass estimates derived from (I) the velocity dispersion (Mvir), (II) the caustic mass computation (Mcaustic), and (III) mass proxies from X-ray observations and the Sunyaev-Zel'dovich (SZ) effect. Methods: We carried out new optical spectroscopic observations of the galaxies in this cluster field with VIMOS, obtaining a sample of 60 member galaxies for S1101. We revised the cluster redshift and velocity dispersion measurements based on this sample and also applied the Dressler-Shectman substructure test. Results: The completeness of cluster members within r200 was significantly improved for this cluster. Tests for dynamical substructure do not show evidence of major disturbances or merging activities in S1101. We find good agreement between the dynamical cluster mass measurements and X-ray mass estimates, which confirms the relaxed state of the cluster displayed in the 2D substructure test. The SZ mass proxy is slightly higher than the other estimates. The updated measurement of σ erased the deviation of S1101 in the L-σ relation. We also noticed a background structure in the cluster field of S1101. This structure is a galaxy group that is very close to the cluster S1101 in projection but at almost twice its redshift. However the mass of this structure is too low to significantly bias the observed bolometric X-ray luminosity of S1101. Hence, we can conclude that the deviation of S1101 in the L-σ relation in our previous study can be explained by low member statistics and galaxy interlopers, which are known to introduce biases in the estimated velocity dispersion. We have made use of VLT/VIMOS observations taken with the ESO Telescope at the Paranal Observatory under programme 087.A-0096.
3D-analysis of plant microstructures: advantages and limitations of synchrotron X-ray microtomography

NASA Astrophysics Data System (ADS)

Matsushima, U.; Graf, W.; Zabler, S.; Manke, I.; Dawson, M.; Choinka, G.; Hilger, A.; Herppich, W. B.

2013-01-01

Synchrotron X-ray computer microtomography was used to analyze the microstructure of rose peduncles. Samples from three rose cultivars, differing in anatomy, were scanned to study the relation between tissue structure and peduncles mechanical strength. Additionally, chlorophyll fluorescence imaging and conventional light microscopy was applied to quantify possible irradiation-induced damage to plant physiology and tissue structure. The spatial resolution of synchrotron X-ray computer microtomography was sufficiently high to investigate the complex tissues of intact rose peduncles without the necessity of any preparation. However, synchrotron X-radiation induces two different types of damage on irradiated tissues. First, within a few hours after first X-ray exposure, there is a direct physical destruction of cell walls. In addition, a slow and delayed destruction of chlorophyll and, consequently, of photosynthetic activity occurred within hours/ days after the exposure. The results indicate that synchrotron X-ray computer microtomography is well suited for three-dimensional visualization of the microstructure of rose peduncles. However, in its current technique, synchrotron X-ray computer microtomography is not really non-destructive but induce tissue damage. Hence, this technique needs further optimization before it can be applied for time-series investigations of living plant materials
General Relativistic Effects and QPOs in X-Ray Binaries

NASA Astrophysics Data System (ADS)

Markovic, D.; Lamb, F. K.

We have investigated whether general relativistic effects may be responsible for some of the quasi-periodic X-ray brightness oscillations (QPOs) observed in low-mass binary systems containing accreting neutron stars and black hole candidates. In particular, we have computed the motions of accreting gas in the strong gravitational fields near such objects and have explored possible mechanisms for producing X-ray flux oscillations. We have discovered a family of weakly damped global gravitomagnetic (Lense-Thirring) warping modes of the inner (viscous) accretion disk that have precession frequencies ranging up to the single-particle gravitomagnetic precession frequency at the inner edge of the disk, which is about 30 Hz if the disk extends inward to the innermost stable circular orbit around a compact object of solar mass with dimensionless angular momentum cJ/GM2 ~ 0.2. Precession of regions of enhanced viscous dissipation or modulation of the accretion flow by the precession may produce observable periodic variation of the X-ray flux. Detectable effects might also be produced if the gas in the inner disk breaks up into a collection of distinct clumps. We have analyzed the dynamics of such clumps as well as the conditions required for their formation and survival on time scales long enough to produce QPOs with the coherence observed in low-mass X-ray binaries.
Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments

PubMed Central

Hub, Jochen S.; Salditt, Tim; Rheinstädter, Maikel C.; de Groot, Bert L.

2007-01-01

We present an extensive comparison of short-range order and short wavelength dynamics of a hydrated phospholipid bilayer derived by molecular dynamics simulations, elastic x-ray, and inelastic neutron scattering experiments. The quantities that are compared between simulation and experiment include static and dynamic structure factors, reciprocal space mappings, and electron density profiles. We show that the simultaneous use of molecular dynamics and diffraction data can help to extract real space properties like the area per lipid and the lipid chain ordering from experimental data. In addition, we assert that the interchain distance can be computed to high accuracy from the interchain correlation peak of the structure factor. Moreover, it is found that the position of the interchain correlation peak is not affected by the area per lipid, while its correlation length decreases linearly with the area per lipid. This finding allows us to relate a property of the structure factor quantitatively to the area per lipid. Finally, the short wavelength dynamics obtained from the simulations and from inelastic neutron scattering are analyzed and compared. The conventional interpretation in terms of the three-effective-eigenmode model is found to be only partly suitable to describe the complex fluid dynamics of lipid chains. PMID:17631531
[The clinical and X-ray classification of osteonecrosis of the low jaw].

PubMed

Medvedev, Iu A; Basin, E M; Sokolina, I A

2013-01-01

To elaborate a clinical and X-ray classification of osteonecrosis of the low jaw in people with desomorphine or pervitin addiction. Ninety-two patients with drug addiction who had undergone orthopantomography, direct frontal X-ray of the skull, and multislice computed tomography, followed by multiplanar and three-dimensional imaging reconstruction were examined. One hundred thirty four X-ray films and 74 computed tomographic images were analyzed. The authors proposed a clinical and X-ray classification of osteonecrosis of the low jaw in people with desomorphine or pervitin addiction and elaborated recommendations for surgical interventions on the basis of the developed classification. The developed clinical and X-ray classification and recommendations for surgical interventions may be used to treat osteonecroses of various etiology.
Evaluation of Defects inside Beryllium Foils using X-ray Computed Tomography and Shearing Interferometry

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

Sakurai, Tatsuyuki; Kohmura, Yoshiki; Takeuchi, Akihisa

2007-01-19

When beryllium is used in transmission X-ray optical elements for spatially coherent beams, speckles are usually observed in the transmission images. These speckles seem to be caused by defects either inside or on the surface of beryllium foil. We measured highly polished beryllium foil using two methods, X-ray computed tomography and X-ray shearing interferometry. The results indicate that observed speckle pattern is caused by many voids inside beryllium or inner low-density regions.
Numerical prediction of fiber orientation in injection-molded short-fiber/thermoplastic composite parts with experimental validation

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

Thi, Thanh Binh Nguyen; Morioka, Mizuki; Yokoyama, Atsushi

Numerical prediction of the fiber orientation in the short-glass fiber (GF) reinforced polyamide 6 (PA6) composites with the fiber weight concentration of 30%, 50%, and 70% manufactured by the injection molding process is presented. And the fiber orientation was also directly observed and measured through X-ray computed tomography. During the injection molding process of the short-fiber/thermoplastic composite, the fiber orientation is produced by the flow states and the fiber-fiber interaction. Folgar and Tucker equation is the well known for modeling the fiber orientation in a concentrated suspension. They included into Jeffrey’s equation a diffusive type of term by introducing amore » phenomenological coefficient to account for the fiber-fiber interaction. Our developed model for the fiber-fiber interaction was proposed by modifying the rotary diffusion term of the Folgar-Tucker equation. This model was presented in a conference paper of the 29{sup th} International Conference of the Polymer Processing Society published by AIP conference proceeding. For modeling fiber interaction, the fiber dynamic simulation was introduced in order to obtain a global fiber interaction coefficient, which is sum function of the fiber concentration, aspect ratio, and angular velocity. The fiber orientation is predicted by using the proposed fiber interaction model incorporated into a computer aided engineering simulation package C-Mold. An experimental program has been carried out in which the fiber orientation distribution has been measured in 100 x 100 x 2 mm injection-molded plate and 100 x 80 x 2 mm injection-molded weld by analyzed with a high resolution 3D X-ray computed tomography system XVA-160α, and calculated by X-ray computed tomography imaging. The numerical prediction shows a good agreement with experimental validation. And the complex fiber orientation in the injection-molded weld was investigated.« less
Numerical prediction of fiber orientation in injection-molded short-fiber/thermoplastic composite parts with experimental validation

NASA Astrophysics Data System (ADS)

Thi, Thanh Binh Nguyen; Morioka, Mizuki; Yokoyama, Atsushi; Hamanaka, Senji; Yamashita, Katsuhisa; Nonomura, Chisato

2015-05-01

Numerical prediction of the fiber orientation in the short-glass fiber (GF) reinforced polyamide 6 (PA6) composites with the fiber weight concentration of 30%, 50%, and 70% manufactured by the injection molding process is presented. And the fiber orientation was also directly observed and measured through X-ray computed tomography. During the injection molding process of the short-fiber/thermoplastic composite, the fiber orientation is produced by the flow states and the fiber-fiber interaction. Folgar and Tucker equation is the well known for modeling the fiber orientation in a concentrated suspension. They included into Jeffrey's equation a diffusive type of term by introducing a phenomenological coefficient to account for the fiber-fiber interaction. Our developed model for the fiber-fiber interaction was proposed by modifying the rotary diffusion term of the Folgar-Tucker equation. This model was presented in a conference paper of the 29th International Conference of the Polymer Processing Society published by AIP conference proceeding. For modeling fiber interaction, the fiber dynamic simulation was introduced in order to obtain a global fiber interaction coefficient, which is sum function of the fiber concentration, aspect ratio, and angular velocity. The fiber orientation is predicted by using the proposed fiber interaction model incorporated into a computer aided engineering simulation package C-Mold. An experimental program has been carried out in which the fiber orientation distribution has been measured in 100 x 100 x 2 mm injection-molded plate and 100 x 80 x 2 mm injection-molded weld by analyzed with a high resolution 3D X-ray computed tomography system XVA-160α, and calculated by X-ray computed tomography imaging. The numerical prediction shows a good agreement with experimental validation. And the complex fiber orientation in the injection-molded weld was investigated.
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.
Liquid explosions induced by X-ray laser pulses

DOE PAGES

Stan, Claudiu A.; Milathianaki, Despina; Laksmono, Hartawan; ...

2016-05-23

Explosions are spectacular and intriguing phenomena that expose the dynamics of matter under extreme conditions. We investigated, using time-resolved imaging, explosions induced by ultraintense X-ray laser pulses in water drops and jets. Our observations revealed an explosive vaporization followed by high-velocity interacting flows of liquid and vapour, and by the generation of shock trains in the liquid jets. These flows are different from those previously observed in laser ablation, owing to a simpler spatial pattern of X-ray absorption. We show that the explosion dynamics in our experiments is consistent with a redistribution of absorbed energy, mediated by a pressure ormore » shock wave in the liquid, and we model the effects of explosions, including their adverse impact on X-ray laser experiments. As a result, X-ray laser explosions have predictable dynamics that may prove useful for controlling the state of pure liquids over broad energy scales and timescales, and for triggering pressure-sensitive molecular dynamics in solutions.« less
A real-time electronic imaging system for solar X-ray observations from sounding rockets

NASA Technical Reports Server (NTRS)

Davis, J. M.; Ting, J. W.; Gerassimenko, M.

1979-01-01

A real-time imaging system for displaying the solar coronal soft X-ray emission, focussed by a grazing incidence telescope, is described. The design parameters of the system, which is to be used primarily as part of a real-time control system for a sounding rocket experiment, are identified. Their achievement with a system consisting of a microchannel plate, for the conversion of X-rays into visible light, and a slow-scan vidicon, for recording and transmission of the integrated images, is described in detail. The system has a quantum efficiency better than 8 deg above 8 A, a dynamic range of 1000 coupled with a sensitivity to single photoelectrons, and provides a spatial resolution of 15 arc seconds over a field of view of 40 x 40 square arc minutes. The incident radiation is filtered to eliminate wavelengths longer than 100 A. Each image contains 3.93 x 10 to the 5th bits of information and is transmitted to the ground where it is processed by a mini-computer and displayed in real-time on a standard TV monitor.

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

NASA Astrophysics Data System (ADS)

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

2014-12-01

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

PubMed

Kuzmanic, Antonija; Zagrovic, Bojan

2010-03-03

Root mean-square deviation (RMSD) after roto-translational least-squares fitting is a measure of global structural similarity of macromolecules used commonly. On the other hand, experimental x-ray B-factors are used frequently to study local structural heterogeneity and dynamics in macromolecules by providing direct information about root mean-square fluctuations (RMSF) that can also be calculated from molecular dynamics simulations. We provide a mathematical derivation showing that, given a set of conservative assumptions, a root mean-square ensemble-average of an all-against-all distribution of pairwise RMSD for a single molecular species, (1/2), is directly related to average B-factors () and (1/2). We show this relationship and explore its limits of validity on a heterogeneous ensemble of structures taken from molecular dynamics simulations of villin headpiece generated using distributed-computing techniques and the Folding@Home cluster. Our results provide a basis for quantifying global structural diversity of macromolecules in crystals directly from x-ray experiments, and we show this on a large set of structures taken from the Protein Data Bank. In particular, we show that the ensemble-average pairwise backbone RMSD for a microscopic ensemble underlying a typical protein x-ray structure is approximately 1.1 A, under the assumption that the principal contribution to experimental B-factors is conformational variability. 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Determination of Ensemble-Average Pairwise Root Mean-Square Deviation from Experimental B-Factors

PubMed Central

Kuzmanic, Antonija; Zagrovic, Bojan

2010-01-01

Abstract Root mean-square deviation (RMSD) after roto-translational least-squares fitting is a measure of global structural similarity of macromolecules used commonly. On the other hand, experimental x-ray B-factors are used frequently to study local structural heterogeneity and dynamics in macromolecules by providing direct information about root mean-square fluctuations (RMSF) that can also be calculated from molecular dynamics simulations. We provide a mathematical derivation showing that, given a set of conservative assumptions, a root mean-square ensemble-average of an all-against-all distribution of pairwise RMSD for a single molecular species, 1/2, is directly related to average B-factors () and 1/2. We show this relationship and explore its limits of validity on a heterogeneous ensemble of structures taken from molecular dynamics simulations of villin headpiece generated using distributed-computing techniques and the Folding@Home cluster. Our results provide a basis for quantifying global structural diversity of macromolecules in crystals directly from x-ray experiments, and we show this on a large set of structures taken from the Protein Data Bank. In particular, we show that the ensemble-average pairwise backbone RMSD for a microscopic ensemble underlying a typical protein x-ray structure is ∼1.1 Å, under the assumption that the principal contribution to experimental B-factors is conformational variability. PMID:20197040

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

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

Li, Zi; Zhang, Shen; Kang, Wei

2016-05-15

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

X-ray photonic microsystems for the manipulation of synchrotron light

DOE PAGES

Mukhopadhyay, D.; Walko, D. A.; Jung, I. W.; ...

2015-05-05

In this study, photonic microsystems played an essential role in the development of integrated photonic devices, thanks to their unique spatiotemporal control and spectral shaping capabilities. Similar capabilities to markedly control and manipulate X-ray radiation are highly desirable but practically impossible due to the massive size of the silicon single-crystal optics currently used. Here we show that micromechanical systems can be used as X-ray optics to create and preserve the spatial, temporal and spectral correlation of the X-rays. We demonstrate that, as X-ray reflective optics they can maintain the wavefront properties with nearly 100% reflectivity, and as a dynamic diffractivemore » optics they can generate nanosecond time windows with over 100-kHz repetition rates. Since X-ray photonic microsystems can be easily incorporated into lab-based and next-generation synchrotron X-ray sources, they bring unprecedented design flexibility for future dynamic and miniature X-ray optics for focusing, wavefront manipulation, multicolour dispersion, and pulse slicing.« less

Analysis of a measurement scheme for ultrafast hole dynamics by few femtosecond resolution X-ray pump-probe Auger spectroscopy.

PubMed

Cooper, Bridgette; Kolorenč, Přemysl; Frasinski, Leszek J; Averbukh, Vitali; Marangos, Jon P

2014-01-01

Ultrafast hole dynamics created in molecular systems as a result of sudden ionisation is the focus of much attention in the field of attosecond science. Using the molecule glycine we show through ab initio simulations that the dynamics of a hole, arising from ionisation in the inner valence region, evolves with a timescale appropriate to be measured using X-ray pulses from the current generation of SASE free electron lasers. The examined pump-probe scheme uses X-rays with photon energy below the K edge of carbon (275-280 eV) that will ionise from the inner valence region. A second probe X-ray at the same energy can excite an electron from the core to fill the vacancy in the inner-valence region. The dynamics of the inner valence hole can be tracked by measuring the Auger electrons produced by the subsequent refilling of the core hole as a function of pump-probe delay. We consider the feasibility of the experiment and include numerical simulation to support this analysis. We discuss the potential for all X-ray pump-X-ray probe Auger spectroscopy measurements for tracking hole migration.

Plain X-ray, computed tomography and magnetic resonance imaging findings of telangiectatic osteosarcoma: a case report.

PubMed

Skiadas, Vasilios; Koutoulidis, Vasilios; Koureas, Andreas; Moulopoulos, Lia; Gouliamos, Athanasios

2009-09-16

An 18-year-old male patient presented with chronic nonspecific pain of three months located at his left proximal tibia. The patient was admitted to our department for plain X-ray, computed tomography and magnetic resonance imaging examination. Plain X-ray and computed tomography revealed a geographic lytic lesion at the medial aspect of the proximal tibia. Biopsy of the lesion showed telangiectatic osteosarcoma. Image findings of all modalities are presented.

Accretion dynamics and polarized X-ray emission of magnetized neutron stars

NASA Technical Reports Server (NTRS)

Arons, Jonathan

1991-01-01

The basic ideas of accretion onto magnetized neutron stars are outlined. These are applied to a simple model of the structure of the plasma mound sitting at the magnetic poles of such a star, in which upward diffusion of photons is balanced by their downward advection. This steady flow model of the plasma's dynamical state is used to compute the emission of polarized X-raysfrom the optically thick, birefringent medium. The linear polarization of the continuum radiation emerging from the quasi-static mound is found to be as much as 40 percent at some rotation phases, but is insensitive to the geometry of the accretion flow. The role of the accretion shock, whose detailed polarimetric and spectral characteristics have yet to be calculated, is emphasized as the final determinant of the properties of the emerging X-rays. Some results describing the fully time dependent dynamics of the flow are also presented. In particular, steady flow onto a neutron star is shown to exhibit formation of 'photon bubbles', regions of greatly reduced plasma density filled with radiation which form and rise on millisecond time scale. The possible role of these complex structures in the flow for the formation of the emergent spectrum is briefly outlined.

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

Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene/Guanine Interface - A Proposal for High Mobility, Organic Graphene Field Effect Transistors

DTIC Science & Technology

2015-07-01

AFRL-AFOSR-UK-TR-2015-0034 Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine...Interface – A Proposal for High Mobility, Organic Graphene Field Effect Transistors Eva Campo BANGOR UNIVERSITY COLLEGE ROAD BANGOR...April 2015 4. TITLE AND SUBTITLE Studies by Near Edge X-ray Absorption Spectroscopies of Bonding Dynamics at the Graphene /Guanine Interface - A

Monte Carlo simulation of x-ray buildup factors of lead and its applications in shielding of diagnostic x-ray facilities

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

Kharrati, Hedi; Agrebi, Amel; Karaoui, Mohamed-Karim

2007-04-15

X-ray buildup factors of lead in broad beam geometry for energies from 15 to 150 keV are determined using the general purpose Monte Carlo N-particle radiation transport computer code (MCNP4C). The obtained buildup factors data are fitted to a modified three parameter Archer et al. model for ease in calculating the broad beam transmission with computer at any tube potentials/filters combinations in diagnostic energies range. An example for their use to compute the broad beam transmission at 70, 100, 120, and 140 kVp is given. The calculated broad beam transmission is compared to data derived from literature, presenting good agreement.more » Therefore, the combination of the buildup factors data as determined and a mathematical model to generate x-ray spectra provide a computationally based solution to broad beam transmission for lead barriers in shielding x-ray facilities.« less

Molecular Dynamics Simulations and XAFS (MD-XAFS)

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

Schenter, Gregory K.; Fulton, John L.

2017-01-20

MD-XAFS (Molecular Dynamics X-ray Adsorption Fine Structure) makes the connection between simulation techniques that generate an ensemble of molecular configurations and the direct signal observed from X-ray measurement.

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.

Development and Integration of Control System Models

NASA Technical Reports Server (NTRS)

Kim, Young K.

1998-01-01

The computer simulation tool, TREETOPS, has been upgraded and used at NASA/MSFC to model various complicated mechanical systems and to perform their dynamics and control analysis with pointing control systems. A TREETOPS model of Advanced X-ray Astrophysics Facility - Imaging (AXAF-1) dynamics and control system was developed to evaluate the AXAF-I pointing performance for Normal Pointing Mode. An optical model of Shooting Star Experiment (SSE) was also developed and its optical performance analysis was done using the MACOS software.

Dynamic MR defecography of the posterior compartment: Comparison with conventional X-ray defecography.

PubMed

Poncelet, E; Rock, A; Quinton, J-F; Cosson, M; Ramdane, N; Nicolas, L; Feldmann, A; Salleron, J

2017-04-01

The goal of this study was to compare conventional X-ray defecography and dynamic magnetic resonance (MR) defecography in the diagnosis of pelvic floor prolapse of the posterior compartment. Fifty women with a mean age of 65.5 years (range: 53-72 years) who underwent X-ray defecography and MR defecography for clinical suspicion of posterior compartment dysfunction, were included in this retrospective study. X-ray defecography and dynamic MR defecography were reviewed separately for the presence of pelvic organ prolapse. The results of the combination of X-ray defecography and MR defecography were used as the standard of reference. Differences in sensitivities between X-ray defecography and MR defecography were compared using the McNemar test. With the gold standard, we evidenced a total of 22 cases of peritoneocele (17 elytroceles, 3 hedroceles and 2 elytroceles+hedroceles), including 15 cases of enterocele, 28 patients with rectocele including 16 that retained contrast, 37 cases of rectal prolapse, and 11 cases of anismus. The sensitivities of X-ray defecography were 90.9% for the diagnosis of peritoneocele, 71.4% for rectocele, 81.1% for rectal prolapse and 63.6% for anismus. The sensitivities of MR defecography for the same diagnoses were 86.4%, 78.6%, 62.2% and 63.6%, respectively. For all these pathologies, no significant differences between X-ray defecography and MR defecography were found. Dynamic MR defecography is equivalent to X-ray defecography for the diagnosis of abnormalities of the posterior compartment of the pelvic floor. Copyright © 2016 Éditions françaises de radiologie. Published by Elsevier Masson SAS. All rights reserved.

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.

Protocols for Molecular Dynamics Simulations of RNA Nanostructures.

PubMed

Kim, Taejin; Kasprzak, Wojciech K; Shapiro, Bruce A

2017-01-01

Molecular dynamics (MD) simulations have been used as one of the main research tools to study a wide range of biological systems and bridge the gap between X-ray crystallography or NMR structures and biological mechanism. In the field of RNA nanostructures, MD simulations have been used to fix steric clashes in computationally designed RNA nanostructures, characterize the dynamics, and investigate the interaction between RNA and other biomolecules such as delivery agents and membranes.In this chapter we present examples of computational protocols for molecular dynamics simulations in explicit and implicit solvent using the Amber Molecular Dynamics Package. We also show examples of post-simulation analysis steps and briefly mention selected tools beyond the Amber package. Limitations of the methods, tools, and protocols are also discussed. Most of the examples are illustrated for a small RNA duplex (helix), but the protocols are applicable to any nucleic acid structure, subject only to the computational speed and memory limitations of the hardware available to the user.

Plain X-ray, computed tomography and magnetic resonance imaging findings of telangiectatic osteosarcoma: a case report

PubMed Central

Koutoulidis, Vasilios; Koureas, Andreas; Moulopoulos, Lia; Gouliamos, Athanasios

2009-01-01

An 18-year-old male patient presented with chronic nonspecific pain of three months located at his left proximal tibia. The patient was admitted to our department for plain X-ray, computed tomography and magnetic resonance imaging examination. Plain X-ray and computed tomography revealed a geographic lytic lesion at the medial aspect of the proximal tibia. Biopsy of the lesion showed telangiectatic osteosarcoma. Image findings of all modalities are presented. PMID:19918488

From the X-rays to a reliable “low cost” computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases

NASA Astrophysics Data System (ADS)

Lombardo, Giuseppe M.; Portalone, Gustavo; Colapietro, Marcello; Rescifina, Antonio; Punzo, Francesco

2011-05-01

The ability of caffeic acid to act as antioxidant against hyperoxo-radicals as well as its recently found therapeutic properties in the treatment of hepatocarcinoma, still make this compound, more than 20 years later the refinement of its crystal structure, object of study. It belongs to the vast family of humic substances, which play a key role in the biodegradation processes and easily form complexes with ions widely diffused in the environment. This class of compounds is therefore interesting for potential environmental chemistry applications concerning the possible complexation of heavy metals. Our study focused on the characterization of caffeic acid as a starting necessary step, which will be followed in the future by the application of our findings on the study of the properties of caffeate anion interaction with heavy metal ions. To reach this goal, we applied a low cost approach - in terms of computational time and resources - aimed at the achievement of a high resolution, robust and trustable structure using the X-ray single crystal data, recollected with a higher resolution, as touchstone for a detailed check. A comparison between the calculations carried out with density functional theory (DFT), Hartree-Fock (HF) method and post SCF second order Møller-Plesset perturbation method (MP2), at the 6-31G ** level of the theory, molecular mechanics (MM) and molecular dynamics (MD) was performed. As a consequence we explained on one hand the possible reasons for the pitfalls of the DFT approach and on the other the benefits of using a good and robust force field developed for condensed phases, as AMBER, with MM and MD. The reliability of the latter, highlighted by the overall agreement extended up to the anisotropic displacement parameters calculated by means of MD and the ones gathered by X-ray measurements, makes it very promising for the above-mentioned goals.

«

5

6

7

8

9

»

«

6

7

8

9

10

»

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.

Time-Dependent Density Functional Theory for Extreme Environments

NASA Astrophysics Data System (ADS)

Baczewski, Andrew; Magyar, Rudolph; Shulenburger, Luke

2013-10-01

In recent years, DFT-MD has been shown to be a powerful tool for calculating the equation of state and constitutive properties of warm dense matter (WDM). These studies are validated through a number of experiments, including recently developed X-Ray Thomson Scattering (XRTS) techniques. Here, electronic temperatures and densities of WDM are accessible through x-ray scattering data, which is related to the system's dynamic structure factor (DSF)-a quantity that is accessible through DFT-MD calculations. Previous studies predict the DSF within the Born-Oppenheimer approximation, with the electronic state computed using Mermin DFT. A capability for including more general coupled electron-ion dynamics is desirable, to study both the effect on XRTS observables and the broader problem of electron-ion energy transfer in extreme WDM conditions. Progress towards such a capability will be presented, in the form of an Ehrenfest MD framework using TDDFT. Computational challenges and open theoretical questions will be discussed. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Security Administration under contract DE-AC04-94AL85000.

A comparison of coronal X-ray structures of active regions with magnetic fields computed from photospheric observations

NASA Technical Reports Server (NTRS)

Poletto, G.; Vaiana, G. S.; Zombeck, M. V.; Krieger, A. S.; Timothy, A. F.

1975-01-01

The appearances of several X-ray active regions observed on March 7, 1970 and June 15, 1973 are compared with the corresponding coronal magnetic-field topology. Coronal fields have been computed from measurements of the longitudinal component of the underlying magnetic fields, based on the current-free hypothesis. An overall correspondence between X-ray structures and calculated field lines is established, and the magnetic counterparts of different X-ray features are also examined. A correspondence between enhanced X-ray emission and the location of compact closed field lines is suggested. Representative magnetic-field values calculated under the assumption of current-free fields are given for heights up to 200 sec.

Metalloprotein structures at ambient conditions and in real-time: biological crystallography and spectroscopy using X-ray free electron lasers

DOE PAGES

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

2015-09-02

We have studied the structure of enzymes and the chemistry at the catalytic sites, intensively and have acquired an understanding of the atomic-scale chemistry which requires a new approach beyond steady state X-ray crystallography and X-ray spectroscopy at cryogenic temperatures. Following the dynamic changes in the geometric and electronic structure of metallo-enzymes at ambient conditions, while overcoming the severe X-ray-induced changes to the redox active catalytic center, is key for deriving reaction mechanisms. Such studies become possible by the intense and ultra-short femtosecond (fs) X-ray pulses from an X-ray free electron laser (XFEL) by acquiring a signal before the samplemore » is destroyed. Our review describes the recent and pioneering uses of XFELs to study the protein structure and dynamics of metallo-enzymes using crystallography and scattering, as well as the chemical structure and dynamics of the catalytic complexes (charge, spin, and covalency) using spectroscopy during the reaction to understand the electron-transfer processes and elucidate the mechanism.« less

Metalloprotein structures at ambient conditions and in real-time: biological crystallography and spectroscopy using X-ray free electron lasers

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

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

We have studied the structure of enzymes and the chemistry at the catalytic sites, intensively and have acquired an understanding of the atomic-scale chemistry which requires a new approach beyond steady state X-ray crystallography and X-ray spectroscopy at cryogenic temperatures. Following the dynamic changes in the geometric and electronic structure of metallo-enzymes at ambient conditions, while overcoming the severe X-ray-induced changes to the redox active catalytic center, is key for deriving reaction mechanisms. Such studies become possible by the intense and ultra-short femtosecond (fs) X-ray pulses from an X-ray free electron laser (XFEL) by acquiring a signal before the samplemore » is destroyed. Our review describes the recent and pioneering uses of XFELs to study the protein structure and dynamics of metallo-enzymes using crystallography and scattering, as well as the chemical structure and dynamics of the catalytic complexes (charge, spin, and covalency) using spectroscopy during the reaction to understand the electron-transfer processes and elucidate the mechanism.« less

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

NASA Astrophysics Data System (ADS)

Karsten, Sven; Bokarev, Sergey I.; Aziz, Saadullah G.; Ivanov, Sergei D.; Kühn, Oliver

2017-06-01

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

PubMed

Karsten, Sven; Bokarev, Sergey I; Aziz, Saadullah G; Ivanov, Sergei D; Kühn, Oliver

2017-06-14

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

Application of ultra-small-angle X-ray scattering / X-ray photon correlation spectroscopy to relate equilibrium or non-equilibrium dynamics to microstructure

NASA Astrophysics Data System (ADS)

Allen, Andrew; Zhang, Fan; Levine, Lyle; Ilavsky, Jan

2013-03-01

Ultra-small-angle X-ray scattering (USAXS) can probe microstructures over the nanometer-to-micrometer scale range. Through use of a small instrument entrance slit, X-ray photon correlation spectroscopy (XPCS) exploits the partial coherence of an X-ray synchrotron undulator beam to provide unprecedented sensitivity to the dynamics of microstructural change. In USAXS/XPCS studies, the dynamics of local structures in a scale range of 100 nm to 1000 nm can be related to an overall hierarchical microstructure extending from 1 nm to more than 1000 nm. Using a point-detection scintillator mode, the equilibrium dynamics at ambient temperature of small particles (which move more slowly than nanoparticles) in aqueous suspension have been quantified directly for the first time. Using a USAXS-XPCS scanning mode for non-equilibrium dynamics incipient processes within dental composites have been elucidated, prior to effects becoming detectable using any other technique. Use of the Advanced Photon Source, an Office of Science User Facility operated for the United States Department of Energy (U.S. DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.

Non Destructive 3D X-Ray Imaging of Nano Structures & Composites at Sub-30 NM Resolution, With a Novel Lab Based X-Ray Microscope

DTIC Science & Technology

2006-11-01

NON DESTRUCTIVE 3D X-RAY IMAGING OF NANO STRUCTURES & COMPOSITES AT SUB-30 NM RESOLUTION, WITH A NOVEL LAB BASED X- RAY MICROSCOPE S H Lau...article we describe a 3D x-ray microscope based on a laboratory x-ray source operating at 2.7, 5.4 or 8.0 keV hard x-ray energies. X-ray computed...tomography (XCT) is used to obtain detailed 3D structural information inside optically opaque materials with sub-30 nm resolution. Applications include

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

NASA Astrophysics Data System (ADS)

Pascal, Tod; Prendergast, David

2014-03-01

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

A dynamic flare with anomalously dense flare loops

NASA Technical Reports Server (NTRS)

Svestka, Z.; Fontenla, J. M.; Machado, M. E.; Martin, S. F.; Neidig, D. F.

1986-01-01

The dynamic flare of November 6, 1980 developed a rich system of growing loops which could be followed in H-alpha for 1.5 hours. Throughout the flare, these loops, near the limb, were seen in emission against the disk. Theoretical computations of b-values for a hydrogen atom reveal that this requires electron densities in the loops to be close to 10 to the 12th per cu cm. From measured widths of higher Balmer lines the density at the tops of the loops was found to be 4 x 10 to the 12th per cu cm if no nonthermal motions were present. It is now general knowledge that flare loops are initially observed in X-rays and become visible in H-alpha only after cooling. For such a high density a loop would cool through radiation from 10 to the 7th K to 10 to the 4th K within a few minutes so that the dense H-alpha loops should have heights very close to the heights of the X-ray loops. This, however, contradicts the observations obtained by the HXIS and FCS instruments on board SMM which show the X-ray loops at much higher altitudes than the loops in H-alpha. Therefore, the density must have been significantly smaller when the loops were formed and the flare loops were apparently both shrinking and becoming denser while cooling.

Framework for computing the spatial coherence effects of polycapillary x-ray optics

PubMed Central

Zysk, Adam M.; Schoonover, Robert W.; Xu, Qiaofeng; Anastasio, Mark A.

2012-01-01

Despite the extensive use of polycapillary x-ray optics for focusing and collimating applications, there remains a significant need for characterization of the coherence properties of the output wavefield. In this work, we present the first quantitative computational method for calculation of the spatial coherence effects of polycapillary x-ray optical devices. This method employs the coherent mode decomposition of an extended x-ray source, geometric optical propagation of individual wavefield modes through a polycapillary device, output wavefield calculation by ray data resampling onto a uniform grid, and the calculation of spatial coherence properties by way of the spectral degree of coherence. PMID:22418154

Modeling of Dynamic Behavior of Carbon Fiber-Reinforced Polymer (CFRP) Composite under X-ray Radiation.

PubMed

Zhang, Kun; Tang, Wenhui; Fu, Kunkun

2018-01-16

Carbon fiber-reinforced polymer (CFRP) composites have been increasingly used in spacecraft applications. Spacecraft may encounter highenergy-density X-ray radiation in outer space that can cause severe damage. To protect spacecraft from such unexpected damage, it is essential to predict the dynamic behavior of CFRP composites under X-ray radiation. In this study, we developed an in-house three-dimensional explicit finite element (FEM) code to investigate the dynamic responses of CFRP composite under X-ray radiation for the first time, by incorporating a modified PUFF equation-of-state. First, the blow-off impulse (BOI) momentum of an aluminum panel was predicted by our FEM code and compared with an existing radiation experiment. Then, the FEM code was utilized to determine the dynamic behavior of a CFRP composite under various radiation conditions. It was found that the numerical result was comparable with the experimental one. Furthermore, the CFRP composite was more effective than the aluminum panel in reducing radiation-induced pressure and BOI momentum. The numerical results also revealed that a 1 keV X-ray led to vaporization of surface materials and a high-magnitude compressive stress wave, whereas a low-magnitude stress wave was generated with no surface vaporization when a 3 keV X-ray was applied.

Modeling of Dynamic Behavior of Carbon Fiber-Reinforced Polymer (CFRP) Composite under X-ray Radiation

PubMed Central

Zhang, Kun; Tang, Wenhui; Fu, Kunkun

2018-01-01

Carbon fiber-reinforced polymer (CFRP) composites have been increasingly used in spacecraft applications. Spacecraft may encounter highenergy-density X-ray radiation in outer space that can cause severe damage. To protect spacecraft from such unexpected damage, it is essential to predict the dynamic behavior of CFRP composites under X-ray radiation. In this study, we developed an in-house three-dimensional explicit finite element (FEM) code to investigate the dynamic responses of CFRP composite under X-ray radiation for the first time, by incorporating a modified PUFF equation-of-state. First, the blow-off impulse (BOI) momentum of an aluminum panel was predicted by our FEM code and compared with an existing radiation experiment. Then, the FEM code was utilized to determine the dynamic behavior of a CFRP composite under various radiation conditions. It was found that the numerical result was comparable with the experimental one. Furthermore, the CFRP composite was more effective than the aluminum panel in reducing radiation-induced pressure and BOI momentum. The numerical results also revealed that a 1 keV X-ray led to vaporization of surface materials and a high-magnitude compressive stress wave, whereas a low-magnitude stress wave was generated with no surface vaporization when a 3 keV X-ray was applied. PMID:29337891

Gain dynamics in a soft X-ray laser ampli er perturbed by a strong injected X-ray eld

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

Wang, Yong; Wang, Shoujun; Oliva, E

2014-01-01

Seeding soft X-ray plasma ampli ers with high harmonics has been demonstrated to generate high-brightness soft X-ray laser pulses with full spatial and temporal coherence. The interaction between the injected coherent eld and the swept-gain medium has been modelled. However, no exper- iment has been conducted to probe the gain dynamics when perturbed by a strong external seed eld. Here, we report the rst X-ray pump X-ray probe measurement of the nonlinear response of a plasma ampli er perturbed by a strong soft X-ray ultra-short pulse. We injected a sequence of two time-delayed high-harmonic pulses (l518.9 nm) into a collisionallymore » excited nickel-like molybdenum plasma to measure with femto-second resolution the gain depletion induced by the saturated ampli cation of the high-harmonic pump and its subsequent recovery. The measured fast gain recovery in 1.5 1.75 ps con rms the possibility to generate ultra-intense, fully phase-coherent soft X-ray lasers by chirped pulse ampli cation in plasma ampli ers.« less

Synchrotron Radiation X-ray Diffraction Techniques Applied to Insect Flight Muscle.

PubMed

Iwamoto, Hiroyuki

2018-06-13

X-ray fiber diffraction is a powerful tool used for investigating the molecular structure of muscle and its dynamics during contraction. This technique has been successfully applied not only to skeletal and cardiac muscles of vertebrates but also to insect flight muscle. Generally, insect flight muscle has a highly ordered structure and is often capable of high-frequency oscillations. The X-ray diffraction studies on muscle have been accelerated by the advent of 3rd-generation synchrotron radiation facilities, which can generate brilliant and highly oriented X-ray beams. This review focuses on some of the novel experiments done on insect flight muscle by using synchrotron radiation X-rays. These include diffraction recordings from single myofibrils within a flight muscle fiber by using X-ray microbeams and high-speed diffraction recordings from the flight muscle during the wing-beat of live insects. These experiments have provided information about the molecular structure and dynamic function of flight muscle in unprecedented detail. Future directions of X-ray diffraction studies on muscle are also discussed.

Three-dimensional monochromatic x-ray computed tomography using synchrotron radiation

NASA Astrophysics Data System (ADS)

Saito, Tsuneo; Kudo, Hiroyuki; Takeda, Tohoru; Itai, Yuji; Tokumori, Kenji; Toyofuku, Fukai; Hyodo, Kazuyuki; Ando, Masami; Nishimura, Katsuyuki; Uyama, Chikao

1998-08-01

We describe a technique of 3D computed tomography (3D CT) using monochromatic x rays generated by synchrotron radiation, which performs a direct reconstruction of a 3D volume image of an object from its cone-beam projections. For the development, we propose a practical scanning orbit of the x-ray source to obtain complete 3D information on an object, and its corresponding 3D image reconstruction algorithm. The validity and usefulness of the proposed scanning orbit and reconstruction algorithm were confirmed by computer simulation studies. Based on these investigations, we have developed a prototype 3D monochromatic x-ray CT using synchrotron radiation, which provides exact 3D reconstruction and material-selective imaging by using the K-edge energy subtraction technique.

High speed imaging of dynamic processes with a switched source x-ray CT system

NASA Astrophysics Data System (ADS)

Thompson, William M.; Lionheart, William R. B.; Morton, Edward J.; Cunningham, Mike; Luggar, Russell D.

2015-05-01

Conventional x-ray computed tomography (CT) scanners are limited in their scanning speed by the mechanical constraints of their rotating gantries and as such do not provide the necessary temporal resolution for imaging of fast-moving dynamic processes, such as moving fluid flows. The Real Time Tomography (RTT) system is a family of fast cone beam CT scanners which instead use multiple fixed discrete sources and complete rings of detectors in an offset geometry. We demonstrate the potential of this system for use in the imaging of such high speed dynamic processes and give results using simulated and real experimental data. The unusual scanning geometry results in some challenges in image reconstruction, which are overcome using algebraic iterative reconstruction techniques and explicit regularisation. Through the use of a simple temporal regularisation term and by optimising the source firing pattern, we show that temporal resolution of the system may be increased at the expense of spatial resolution, which may be advantageous in some situations. Results are given showing temporal resolution of approximately 500 µs with simulated data and 3 ms with real experimental data.

A biplanar X-ray approach for studying the 3D dynamics of human track formation.

PubMed

Hatala, Kevin G; Perry, David A; Gatesy, Stephen M

2018-05-09

Recent discoveries have made hominin tracks an increasingly prevalent component of the human fossil record, and these data have the capacity to inform long-standing debates regarding the biomechanics of hominin locomotion. However, there is currently no consensus on how to decipher biomechanical variables from hominin tracks. These debates can be linked to our generally limited understanding of the complex interactions between anatomy, motion, and substrate that give rise to track morphology. These interactions are difficult to study because direct visualization of the track formation process is impeded by foot and substrate opacity. To address these obstacles, we developed biplanar X-ray and computer animation methods, derived from X-ray Reconstruction of Moving Morphology (XROMM), to analyze the 3D dynamics of three human subjects' feet as they walked across four substrates (three deformable muds and rigid composite panel). By imaging and reconstructing 3D positions of external markers, we quantified the 3D dynamics at the foot-substrate interface. Foot shape, specifically heel and medial longitudinal arch deformation, was significantly affected by substrate rigidity. In deformable muds, we found that depths measured across tracks did not directly reflect the motions of the corresponding regions of the foot, and that track outlines were not perfectly representative of foot size. These results highlight the complex, dynamic nature of track formation, and the experimental methods presented here offer a promising avenue for developing and refining methods for accurately inferring foot anatomy and gait biomechanics from fossil hominin tracks. Copyright © 2018 Elsevier Ltd. All rights reserved.

Development and validation of real-time simulation of X-ray imaging with respiratory motion.

PubMed

Vidal, Franck P; Villard, Pierre-Frédéric

2016-04-01

We present a framework that combines evolutionary optimisation, soft tissue modelling and ray tracing on GPU to simultaneously compute the respiratory motion and X-ray imaging in real-time. Our aim is to provide validated building blocks with high fidelity to closely match both the human physiology and the physics of X-rays. A CPU-based set of algorithms is presented to model organ behaviours during respiration. Soft tissue deformation is computed with an extension of the Chain Mail method. Rigid elements move according to kinematic laws. A GPU-based surface rendering method is proposed to compute the X-ray image using the Beer-Lambert law. It is provided as an open-source library. A quantitative validation study is provided to objectively assess the accuracy of both components: (i) the respiration against anatomical data, and (ii) the X-ray against the Beer-Lambert law and the results of Monte Carlo simulations. Our implementation can be used in various applications, such as interactive medical virtual environment to train percutaneous transhepatic cholangiography in interventional radiology, 2D/3D registration, computation of digitally reconstructed radiograph, simulation of 4D sinograms to test tomography reconstruction tools. Copyright © 2015 Elsevier Ltd. All rights reserved.

«

6

7

8

9

10

»

«

7

8

9

10

11

»

Simulations of the Formation and Evolution of X-ray Clusters

NASA Astrophysics Data System (ADS)

Bryan, G. L.; Klypin, A.; Norman, M. L.

1994-05-01

We describe results from a set of Omega = 1 Cold plus Hot Dark Matter (CHDM) and Cold Dark Matter (CDM) simulations. We examine the formation and evolution of X-ray clusters in a cosmological setting with sufficient numbers to perform statistical analysis. We find that CDM, normalized to COBE, seems to produce too many large clusters, both in terms of the luminosity (dn/dL) and temperature (dn/dT) functions. The CHDM simulation produces fewer clusters and the temperature distribution (our numerically most secure result) matches observations where they overlap. The computed cluster luminosity function drops below observations, but we are almost surely underestimating the X-ray luminosity. Because of the lower fluctuations in CHDM, there are only a small number of bright clusters in our simulation volume; however we can use the simulated clusters to fix the relation between temperature and velocity dispersion, allowing us to use collisionless N-body codes to probe larger length scales with correspondingly brighter clusters. The hydrodynamic simulations have been performed with a hybrid particle-mesh scheme for the dark matter and a high resolution grid-based piecewise parabolic method for the adiabatic gas dynamics. This combination has been implemented for massively parallel computers, allowing us to achive grids as large as 512(3) .

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

Explosive vessel for coupling dynamic experiments to the X-ray beam at the Advanced Photon Source

NASA Astrophysics Data System (ADS)

Owens, Charles; Sanchez, Nathaniel; Sorensen, Christian; Jensen, Brian

2017-06-01

Recent experiments at the Advanced Photon Source have been successful in coupling gun systems to the synchrotron to take advantage of the advanced X-ray diagnostics available including X-ray diffraction and X-ray phase contrast imaging (PCI) to examine matter at extreme conditions. There are many experiments that require explosive loading capabilities, e.g. detonator and initiator dynamics, small angle X-ray scattering (SAXS), ejecta formation, and explosively driven flyer experiments. The current work highlights a new explosive vessel that was designed specifically for use at a synchrotron facility with requirements to confine up to 15 grams of explosives (TNT equivalent), couple the vessel to the X-ray beam line, and reliably position samples remotely. A description of the system and capability will be provided along with the results from qualification testing to bring the system into service (LA-UR-17-21381).

X-ray luminescence computed tomography using a focused x-ray beam.

PubMed

Zhang, Wei; Lun, Michael C; Nguyen, Alex Anh-Tu; Li, Changqing

2017-11-01

Due to the low x-ray photon utilization efficiency and low measurement sensitivity of the electron multiplying charge coupled device camera setup, the collimator-based narrow beam x-ray luminescence computed tomography (XLCT) usually requires a long measurement time. We, for the first time, report a focused x-ray beam-based XLCT imaging system with measurements by a single optical fiber bundle and a photomultiplier tube (PMT). An x-ray tube with a polycapillary lens was used to generate a focused x-ray beam whose x-ray photon density is 1200 times larger than a collimated x-ray beam. An optical fiber bundle was employed to collect and deliver the emitted photons on the phantom surface to the PMT. The total measurement time was reduced to 12.5 min. For numerical simulations of both single and six fiber bundle cases, we were able to reconstruct six targets successfully. For the phantom experiment, two targets with an edge-to-edge distance of 0.4 mm and a center-to-center distance of 0.8 mm were successfully reconstructed by the measurement setup with a single fiber bundle and a PMT. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Globular cluster x-ray sources

PubMed Central

Pooley, David

2010-01-01

Globular clusters and x-ray astronomy have a long and fruitful history. Uhuru and OSO-7 revealed highly luminous (> 1036 ergs-1) x-ray sources in globular clusters, and Einstein and ROSAT revealed a larger population of low-luminosity (< 1033 ergs-1) x-ray sources. It was realized early on that the high-luminosity sources were low-mass x-ray binaries in outburst and that they were orders of magnitude more abundant per unit mass in globular clusters than in the rest of the galaxy. However, the low-luminosity sources proved difficult to classify. Many ideas were put forth—low-mass x-ray binaries in quiescence (qLMXBs), cataclysmic variables (CVs), active main-sequence binaries (ABs), and millisecond pulsars (MSPs)—but secure identifications were scarce. In ROSAT observations of 55 clusters, about 25 low-luminosity sources were found. Chandra has now observed over 80 Galactic globular clusters, and these observations have revealed over 1,500 x-ray sources. The superb angular resolution has allowed for many counterpart identifications, providing clues to the nature of this population. It is a heterogeneous mix of qLMXBs, CVs, ABs, and MSPs, and it has been shown that the qLMXBs and CVs are both, in part, overabundant like the luminous LMXBs. The number of x-ray sources in a cluster correlates very well with its encounter frequency. This points to dynamical formation scenarios for the x-ray sources and shows them to be excellent tracers of the complicated internal dynamics. The relation between the encounter frequency and the number of x-ray sources has been used to suggest that we have misunderstood the dynamical states of globular clusters. PMID:20404204

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.

TomoBank: a tomographic data repository for computational x-ray science

NASA Astrophysics Data System (ADS)

De Carlo, Francesco; Gürsoy, Doğa; Ching, Daniel J.; Joost Batenburg, K.; Ludwig, Wolfgang; Mancini, Lucia; Marone, Federica; Mokso, Rajmund; Pelt, Daniël M.; Sijbers, Jan; Rivers, Mark

2018-03-01

There is a widening gap between the fast advancement of computational methods for tomographic reconstruction and their successful implementation in production software at various synchrotron facilities. This is due in part to the lack of readily available instrument datasets and phantoms representative of real materials for validation and comparison of new numerical methods. Recent advancements in detector technology have made sub-second and multi-energy tomographic data collection possible (Gibbs et al 2015 Sci. Rep. 5 11824), but have also increased the demand to develop new reconstruction methods able to handle in situ (Pelt and Batenburg 2013 IEEE Trans. Image Process. 22 5238-51) and dynamic systems (Mohan et al 2015 IEEE Trans. Comput. Imaging 1 96-111) that can be quickly incorporated in beamline production software (Gürsoy et al 2014 J. Synchrotron Radiat. 21 1188-93). The x-ray tomography data bank, tomoBank, provides a repository of experimental and simulated datasets with the aim to foster collaboration among computational scientists, beamline scientists, and experimentalists and to accelerate the development and implementation of tomographic reconstruction methods for synchrotron facility production software by providing easy access to challenging datasets and their descriptors.

Multiscale X-ray and Proton Imaging of Bismuth-Tin Solidification

NASA Astrophysics Data System (ADS)

Gibbs, P. J.; Imhoff, S. D.; Morris, C. L.; Merrill, F. E.; Wilde, C. H.; Nedrow, P.; Mariam, F. G.; Fezzaa, K.; Lee, W.-K.; Clarke, A. J.

2014-08-01

The formation of structural patterns during metallic solidification is complex and multiscale in nature, ranging from the nanometer scale, where solid-liquid interface properties are important, to the macroscale, where casting mold filling and intended heat transfer are crucial. X-ray and proton imaging can directly interrogate structure, solute, and fluid flow development in metals from the microscale to the macroscale. X-rays permit high spatio-temporal resolution imaging of microscopic solidification dynamics in thin metal sections. Similarly, high-energy protons permit imaging of mesoscopic and macroscopic solidification dynamics in large sample volumes. In this article, we highlight multiscale x-ray and proton imaging of bismuth-tin alloy solidification to illustrate dynamic measurement of crystal growth rates and solute segregation profiles that can be that can be acquired using these techniques.

PSPP: A Protein Structure Prediction Pipeline for Computing Clusters

DTIC Science & Technology

2009-07-01

Evanseck JD, et al. (1998) All-atom empirical potential for molecular modeling and dynamics studies of proteins. Journal of Physical Chemistry B 102...dimensional (3-D) protein structures are critical for the understanding of molecular mechanisms of living systems. Traditionally, X-ray crystallography...disordered proteins are often responsible for molecular recognition, molecular assembly, protein modifica- tion, and entropic chain activities in organisms [26

Software to model AXAF-I image quality

NASA Technical Reports Server (NTRS)

Ahmad, Anees; Feng, Chen

1995-01-01

A modular user-friendly computer program for the modeling of grazing-incidence type x-ray optical systems has been developed. This comprehensive computer software GRAZTRACE covers the manipulation of input data, ray tracing with reflectivity and surface deformation effects, convolution with x-ray source shape, and x-ray scattering. The program also includes the capabilities for image analysis, detector scan modeling, and graphical presentation of the results. A number of utilities have been developed to interface the predicted Advanced X-ray Astrophysics Facility-Imaging (AXAF-I) mirror structural and thermal distortions with the ray-trace. This software is written in FORTRAN 77 and runs on a SUN/SPARC station. An interactive command mode version and a batch mode version of the software have been developed.

X-ray luminescence computed tomography imaging via multiple intensity weighted narrow beam irradiation

NASA Astrophysics Data System (ADS)

Feng, Bo; Gao, Feng; Zhao, Huijuan; Zhang, Limin; Li, Jiao; Zhou, Zhongxing

2018-02-01

The purpose of this work is to introduce and study a novel x-ray beam irradiation pattern for X-ray Luminescence Computed Tomography (XLCT), termed multiple intensity-weighted narrow-beam irradiation. The proposed XLCT imaging method is studied through simulations of x-ray and diffuse lights propagation. The emitted optical photons from X-ray excitable nanophosphors were collected by optical fiber bundles from the right-side surface of the phantom. The implementation of image reconstruction is based on the simulated measurements from 6 or 12 angular projections in terms of 3 or 5 x-ray beams scanning mode. The proposed XLCT imaging method is compared against the constant intensity weighted narrow-beam XLCT. From the reconstructed XLCT images, we found that the Dice similarity and quantitative ratio of targets have a certain degree of improvement. The results demonstrated that the proposed method can offer simultaneously high image quality and fast image acquisition.

X-ray Spectral Formation In High-mass X-ray Binaries: The Case Of Vela X-1

NASA Astrophysics Data System (ADS)

Akiyama, Shizuka; Mauche, C. W.; Liedahl, D. A.; Plewa, T.

2007-05-01

We are working to develop improved models of radiatively-driven mass flows in the presence of an X-ray source -- such as in X-ray binaries, cataclysmic variables, and active galactic nuclei -- in order to infer the physical properties that determine the X-ray spectra of such systems. The models integrate a three-dimensional time-dependent hydrodynamics capability (FLASH); a comprehensive and uniform set of atomic data, improved calculations of the line force multiplier that account for X-ray photoionization and non-LTE population kinetics, and X-ray emission-line models appropriate to X-ray photoionized plasmas (HULLAC); and a Monte Carlo radiation transport code that simulates Compton scattering and recombination cascades following photoionization. As a test bed, we have simulated a high-mass X-ray binary with parameters appropriate to Vela X-1. While the orbital and stellar parameters of this system are well constrained, the physics of X-ray spectral formation is less well understood because the canonical analytical wind velocity profile of OB stars does not account for the dynamical and radiative feedback effects due to the rotation of the system and to the irradiation of the stellar wind by X-rays from the neutron star. We discuss the dynamical wind structure of Vela X-1 as determined by the FLASH simulation, where in the binary the X-ray emission features originate, and how the spatial and spectral properties of the X-ray emission features are modified by Compton scattering, photoabsorption, and fluorescent emission. This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48.

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

Picón, A.; Lehmann, C. S.; Bostedt, C.

New capabilities at X-ray free-electron laser facilities allow the generation of two-colour femtosecond X-ray pulses, opening the possibility of performing ultrafast studies of X-ray-induced phenomena. Specifically, the experimental realization of hetero-site-specific X-ray-pump/X-ray-probe spectroscopy is of special interest, in which an X-ray pump pulse is absorbed at one site within a molecule and an X-ray probe pulse follows the X-ray-induced dynamics at another site within the same molecule. In this paper, we show experimental evidence of a hetero-site pump-probe signal. By using two-colour 10-fs X-ray pulses, we are able to observe the femtosecond time dependence for the formation of F ionsmore » during the fragmentation of XeF 2 molecules following X-ray absorption at the Xe site.« less

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

Digital enhancement of X-rays for NDT

NASA Technical Reports Server (NTRS)

Butterfield, R. L.

1980-01-01

Report is "cookbook" for digital processing of industrial X-rays. Computer techniques, previously used primarily in laboratory and developmental research, have been outlined and codified into step by step procedures for enhancing X-ray images. Those involved in nondestructive testing should find report valuable asset, particularly is visual inspection is method currently used to process X-ray images.

3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography

PubMed Central

Egan, C. K.; Jacques, S. D. M.; Wilson, M. D.; Veale, M. C.; Seller, P.; Beale, A. M.; Pattrick, R. A. D.; Withers, P. J.; Cernik, R. J.

2015-01-01

We report the development of laboratory based hyperspectral X-ray computed tomography which allows the internal elemental chemistry of an object to be reconstructed and visualised in three dimensions. The method employs a spectroscopic X-ray imaging detector with sufficient energy resolution to distinguish individual elemental absorption edges. Elemental distributions can then be made by K-edge subtraction, or alternatively by voxel-wise spectral fitting to give relative atomic concentrations. We demonstrate its application to two material systems: studying the distribution of catalyst material on porous substrates for industrial scale chemical processing; and mapping of minerals and inclusion phases inside a mineralised ore sample. The method makes use of a standard laboratory X-ray source with measurement times similar to that required for conventional computed tomography. PMID:26514938

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

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

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

2016-01-01

This report will describe our recent studies of transition metal complex structural dynamics on the fs and ps time scales using an X-ray free electron laser source, Linac Coherent Light Source (LCLS). Ultrafast XANES spectra at the Ni K-edge of nickel(II) tetramesitylporphyrin (NiTMP) were successfully measured for optically excited state at a timescale from 100 fs to 50 ps, providing insight into its sub-ps electronic and structural relaxation processes. Importantly, a transient reduced state Ni(I) (π, 3dx2-y2) electronic state is captured through the interpretation of a short-lived excited state absorption on the low-energy shoulder of the edge, which is aidedmore » by the computation of X-ray transitions for postulated excited electronic states. The observed and computed inner shell to valence orbital transition energies demonstrate and quantify the influence of electronic configuration on specific metal orbital energies. A strong influence of the valence orbital occupation on the inner shell orbital energies indicates that one should not use the transition energy from 1s to other orbitals to draw conclusions about the d-orbital energies. For photocatalysis, a transient electronic configuration could influence d-orbital energies up to a few eV and any attempt to steer the reaction pathway should account for this to ensure that external energies can be used optimally in driving desirable processes. NiTMP structural evolution and the influence of the porphyrin macrocycle conformation on relaxation kinetics can be likewise inferred from this study.« less

The X-ray correlation spectroscopy instrument at the Linac Coherent Light Source

DOE PAGES

Alonso-Mori, Roberto; Caronna, Chiara; Chollet, Matthieu; ...

2015-03-03

The X-ray Correlation Spectroscopy instrument is dedicated to the study of dynamics in condensed matter systems using the unique coherence properties of free-electron lasers. It covers a photon energy range of 4–25 keV. The intrinsic temporal characteristics of the Linac Coherent Light Source, in particular the 120 Hz repetition rate, allow for the investigation of slow dynamics (milliseconds) by means of X-ray photon correlation spectroscopy. Double-pulse schemes could probe dynamics on the picosecond timescale. In addition, a description of the instrument capabilities and recent achievements is presented.

[Diagnostic possibilities of digital volume tomography].

PubMed

Lemkamp, Michael; Filippi, Andreas; Berndt, Dorothea; Lambrecht, J Thomas

2006-01-01

Cone beam computed tomography allows high quality 3D images of cranio-facial structures. Although detail resolution is increased, x-ray exposition is reduced compared to classic computer tomography. The volume is analysed in three orthogonal plains, which can be rotated independently without quality loss. Cone beam computed tomography seems to be a less expensive and less x-ray exposing alternative to classic computer tomography.

Computational approach to integrate 3D X-ray microtomography and NMR data

NASA Astrophysics Data System (ADS)

Lucas-Oliveira, Everton; Araujo-Ferreira, Arthur G.; Trevizan, Willian A.; Fortulan, Carlos A.; Bonagamba, Tito J.

2018-07-01

Nowadays, most of the efforts in NMR applied to porous media are dedicated to studying the molecular fluid dynamics within and among the pores. These analyses have a higher complexity due to morphology and chemical composition of rocks, besides dynamic effects as restricted diffusion, diffusional coupling, and exchange processes. Since the translational nuclear spin diffusion in a confined geometry (e.g. pores and fractures) requires specific boundary conditions, the theoretical solutions are restricted to some special problems and, in many cases, computational methods are required. The Random Walk Method is a classic way to simulate self-diffusion along a Digital Porous Medium. Bergman model considers the magnetic relaxation process of the fluid molecules by including a probability rate of magnetization survival under surface interactions. Here we propose a statistical approach to correlate surface magnetic relaxivity with the computational method applied to the NMR relaxation in order to elucidate the relationship between simulated relaxation time and pore size of the Digital Porous Medium. The proposed computational method simulates one- and two-dimensional NMR techniques reproducing, for example, longitudinal and transverse relaxation times (T1 and T2, respectively), diffusion coefficients (D), as well as their correlations. For a good approximation between the numerical and experimental results, it is necessary to preserve the complexity of translational diffusion through the microstructures in the digital rocks. Therefore, we use Digital Porous Media obtained by 3D X-ray microtomography. To validate the method, relaxation times of ideal spherical pores were obtained and compared with the previous determinations by the Brownstein-Tarr model, as well as the computational approach proposed by Bergman. Furthermore, simulated and experimental results of synthetic porous media are compared. These results make evident the potential of computational physics in the analysis of the NMR data for complex porous materials.

«

7

8

9

10

11

»

«

8

9

10

11

12

»

Eigenvector decomposition of full-spectrum x-ray computed tomography.

PubMed

Gonzales, Brian J; Lalush, David S

2012-03-07

Energy-discriminated x-ray computed tomography (CT) data were projected onto a set of basis functions to suppress the noise in filtered back-projection (FBP) reconstructions. The x-ray CT data were acquired using a novel x-ray system which incorporated a single-pixel photon-counting x-ray detector to measure the x-ray spectrum for each projection ray. A matrix of the spectral response of different materials was decomposed using eigenvalue decomposition to form the basis functions. Projection of FBP onto basis functions created a de facto image segmentation of multiple contrast agents. Final reconstructions showed significant noise suppression while preserving important energy-axis data. The noise suppression was demonstrated by a marked improvement in the signal-to-noise ratio (SNR) along the energy axis for multiple regions of interest in the reconstructed images. Basis functions used on a more coarsely sampled energy axis still showed an improved SNR. We conclude that the noise-resolution trade off along the energy axis was significantly improved using the eigenvalue decomposition basis functions.

Gold nanoparticle flow sensors designed for dynamic X-ray imaging in biofluids.

PubMed

Ahn, Sungsook; Jung, Sung Yong; Lee, Jin Pyung; Kim, Hae Koo; Lee, Sang Joon

2010-07-27

X-ray-based imaging is one of the most powerful and convenient methods in terms of versatility in applicable energy and high performance in use. Different from conventional nuclear medicine imaging, contrast agents are required in X-ray imaging especially for effectively targeted and molecularly specific functions. Here, in contrast to much reported static accumulation of the contrast agents in targeted organs, dynamic visualization in a living organism is successfully accomplished by the particle-traced X-ray imaging for the first time. Flow phenomena across perforated end walls of xylem vessels in rice are monitored by a gold nanoparticle (AuNP) (approximately 20 nm in diameter) as a flow tracing sensor working in nontransparent biofluids. AuNPs are surface-modified to control the hydrodynamic properties such as hydrodynamic size (DH), zeta-potential, and surface plasmonic properties in aqueous conditions. Transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray nanoscopy (XN), and X-ray microscopy (XM) are used to correlate the interparticle interactions with X-ray absorption ability. Cluster formation and X-ray contrast ability of the AuNPs are successfully modulated by controlling the interparticle interactions evaluated as flow-tracing sensors.

Dynamic and static structure studies of colloidal suspensions with XPCS, SAXS and XNFS

NASA Astrophysics Data System (ADS)

Lu, Xinhui

In the first project, I studied the onset of structural arrest and glass formation in a suspension of silica nanoparticles in a water-lutidine binary mixture near its consolute point using X-ray Photon Correlation Spectroscopy (XPCS) and Small Angle X-ray Scattering (SAXS). I obtained the temperature evolution of the static and dynamic structure, revealing that glass transitions occur both on cooling and on heating, and an unusual logarithmic relaxation within the intermediate liquid between the two glasses, as predicted by mode-coupling theory. In another project, I implemented and exploited the recently-introduced, coherence-based technique of X-ray Near-Field Speckle (XNFS) to characterize the structure and dynamics of micrometer-sized particles. In XNFS, the measured speckles originate from the interference between the incident and scattered beams, and enable truly ultra-small angle x-ray scattering measurements with a simple setup. We built a micrometer-resolution XNFS detector with a high numerical aperture microscope objective and demonstrated its capability of studying static structures and dynamics in longer length scale than traditional far field x-ray techniques by measuring dilute silica and polystyrene samples. We also discussed the limitation of this technique.

X-ray crystallography

NASA Technical Reports Server (NTRS)

2001-01-01

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

Deterministic Computer-Controlled Polishing Process for High-Energy X-Ray Optics

NASA Technical Reports Server (NTRS)

Khan, Gufran S.; Gubarev, Mikhail; Speegle, Chet; Ramsey, Brian

2010-01-01

A deterministic computer-controlled polishing process for large X-ray mirror mandrels is presented. Using tool s influence function and material removal rate extracted from polishing experiments, design considerations of polishing laps and optimized operating parameters are discussed

Probing molecular dynamics in solution with x-ray valence-to-core spectroscopy

NASA Astrophysics Data System (ADS)

Doumy, Gilles; March, Anne Marie; Tu, Ming-Feng; Al Haddad, Andre; Southworth, Stephen; Young, Linda; Walko, Donald; Bostedt, Christoph

2017-04-01

Hard X-ray spectroscopies are powerful tools for probing the electronic and geometric structure of molecules in complex or disordered systems and have been particularly useful for studying molecules in the solution phase. They are element specific, sensitive to the electronic structure and the local arrangements of surrounding atoms of the element being selectively probed. When combined in a pump-probe scheme with ultrafast lasers, X-ray spectroscopies can be used to track the evolution of structural changes that occur after photoexcitation. Efficient use of hard x-ray radiation coming from high brilliance synchrotrons and upcoming high repetition rate X-ray Free Electron Lasers requires MHz repetition rate lasers and data acquisition systems. High information content Valence-to-Core x-ray emission is directly sensitive to the molecular orbitals involved in photochemistry. We report on recent progress towards fully enabling this photon-hungry technique for the study of time-resolved molecular dynamics, including efficient detection and use of polychromatic x-ray micro-probe at the Advanced Photon Source. Work was supported by the U.S. Department of Energy, Office of Science, Chemical Sciences, Geosciences, and Biosciences Division.

Homepage P. Fischer, LBNL, Berkeley CA | UC Santa Cruz CA

Science.gov Websites

mesoscale magnetic x-ray microscopy and spectroscopy (ultra-)fast spin dynamics soft x-ray tomography of condensed matter x-ray optics publications presentations invited talks conference contributions curriculum

Direct integration of the inverse Radon equation for X-ray computed tomography.

PubMed

Libin, E E; Chakhlov, S V; Trinca, D

2016-11-22

A new mathematical appoach using the inverse Radon equation for restoration of images in problems of linear two-dimensional x-ray tomography is formulated. In this approach, Fourier transformation is not used, and it gives the chance to create the practical computing algorithms having more reliable mathematical substantiation. Results of software implementation show that for especially for low number of projections, the described approach performs better than standard X-ray tomographic reconstruction algorithms.

The Focusing Optics X-ray Solar Imager (FOXSI) sounding rocket, first flight

NASA Astrophysics Data System (ADS)

Christe, Steven; Glesener, L.; Ishikawa, S.; Ramsey, B.; Takahashi, T.; Watanabe, S.; Saito, S.; Lin, R. P.; Krucker, S.

2013-07-01

Understanding electron acceleration in solar flares requires X-ray studies with greater sensitivity and dynamic range than are available with current solar hard X-ray observers (i.e. the RHESSI spacecraft). RHESSI employs an indirect Fourier imaging method that is intrinsically limited in dynamic range and therefore can rarely image faint coronal flare sources in the presence of bright footpoints. With greater sensitivity and dynamic range, electron acceleration sites in the corona could be studied in great detail. Both these capabilities can be advanced by the use of direct focusing optics. The recently flown Focusing Optics X-ray Solar Imager (FOXSI) sounding rocket payload demonstrates the feasibility and usefulness of hard X-ray focusing optics for observations of solar hard X-rays. FOXSI features grazing-incidence replicated nickel optics made by the NASA Marshall Space Flight Center and fine-pitch silicon strip detectors developed by the Astro-H team at JAXA/ISAS. FOXSI flew successfully on November 2, 2012, producing images and spectra of a microflare and performing a search for nonthermal emission (4-15 keV) from nanoflares in the quiet Sun. Nanoflares are a candidate for providing the required energy to heat the solar corona to its high temperature of a few million degrees. A future satellite version of FOXSI, featuring similar optics and detectors, could make detailed observations of hard X-rays from flare-accelerated electrons, identifying and characterizing particle acceleration sites and mapping out paths of energetic electrons as they leave these sites and propagate throughout the solar corona.Abstract (2,250 Maximum Characters): Understanding electron acceleration in solar flares requires X-ray studies with greater sensitivity and dynamic range than are available with current solar hard X-ray observers (i.e. the RHESSI spacecraft). RHESSI employs an indirect Fourier imaging method that is intrinsically limited in dynamic range and therefore can rarely image faint coronal flare sources in the presence of bright footpoints. With greater sensitivity and dynamic range, electron acceleration sites in the corona could be studied in great detail. Both these capabilities can be advanced by the use of direct focusing optics. The recently flown Focusing Optics X-ray Solar Imager (FOXSI) sounding rocket payload demonstrates the feasibility and usefulness of hard X-ray focusing optics for observations of solar hard X-rays. FOXSI features grazing-incidence replicated nickel optics made by the NASA Marshall Space Flight Center and fine-pitch silicon strip detectors developed by the Astro-H team at JAXA/ISAS. FOXSI flew successfully on November 2, 2012, producing images and spectra of a microflare and performing a search for nonthermal emission (4-15 keV) from nanoflares in the quiet Sun. Nanoflares are a candidate for providing the required energy to heat the solar corona to its high temperature of a few million degrees. A future satellite version of FOXSI, featuring similar optics and detectors, could make detailed observations of hard X-rays from flare-accelerated electrons, identifying and characterizing particle acceleration sites and mapping out paths of energetic electrons as they leave these sites and propagate throughout the solar corona.

Cone-beam x-ray luminescence computed tomography based on x-ray absorption dosage

NASA Astrophysics Data System (ADS)

Liu, Tianshuai; Rong, Junyan; Gao, Peng; Zhang, Wenli; Liu, Wenlei; Zhang, Yuanke; Lu, Hongbing

2018-02-01

With the advances of x-ray excitable nanophosphors, x-ray luminescence computed tomography (XLCT) has become a promising hybrid imaging modality. In particular, a cone-beam XLCT (CB-XLCT) system has demonstrated its potential in in vivo imaging with the advantage of fast imaging speed over other XLCT systems. Currently, the imaging models of most XLCT systems assume that nanophosphors emit light based on the intensity distribution of x-ray within the object, not completely reflecting the nature of the x-ray excitation process. To improve the imaging quality of CB-XLCT, an imaging model that adopts an excitation model of nanophosphors based on x-ray absorption dosage is proposed in this study. To solve the ill-posed inverse problem, a reconstruction algorithm that combines the adaptive Tikhonov regularization method with the imaging model is implemented for CB-XLCT reconstruction. Numerical simulations and phantom experiments indicate that compared with the traditional forward model based on x-ray intensity, the proposed dose-based model could improve the image quality of CB-XLCT significantly in terms of target shape, localization accuracy, and image contrast. In addition, the proposed model behaves better in distinguishing closer targets, demonstrating its advantage in improving spatial resolution.

Computational Fluid Dynamics modeling of contrast transport in basilar aneurysms following flow-altering surgeries.

PubMed

Vali, Alireza; Abla, Adib A; Lawton, Michael T; Saloner, David; Rayz, Vitaliy L

2017-01-04

In vivo measurement of blood velocity fields and flow descriptors remains challenging due to image artifacts and limited resolution of current imaging methods; however, in vivo imaging data can be used to inform and validate patient-specific computational fluid dynamics (CFD) models. Image-based CFD can be particularly useful for planning surgical interventions in complicated cases such as fusiform aneurysms of the basilar artery, where it is crucial to alter pathological hemodynamics while preserving flow to the distal vasculature. In this study, patient-specific CFD modeling was conducted for two basilar aneurysm patients considered for surgical treatment. In addition to velocity fields, transport of contrast agent was simulated for the preoperative and postoperative conditions using two approaches. The transport of a virtual contrast passively following the flow streamlines was simulated to predict post-surgical flow regions prone to thrombus deposition. In addition, the transport of a mixture of blood with an iodine-based contrast agent was modeled to compare and verify the CFD results with X-ray angiograms. The CFD-predicted patterns of contrast flow were qualitatively compared to in vivo X-ray angiograms acquired before and after the intervention. The results suggest that the mixture modeling approach, accounting for the flow rates and properties of the contrast injection, is in better agreement with the X-ray angiography data. The virtual contrast modeling assessed the residence time based on flow patterns unaffected by the injection procedure, which makes the virtual contrast modeling approach better suited for prediction of thrombus deposition, which is not limited to the peri-procedural state. Copyright © 2016 Elsevier Ltd. All rights reserved.

Collaborative Research: Tomographic imaging of laser-plasma structures

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

Downer, Michael

The interaction of intense short laser pulses with ionized gases, or plasmas, underlies many applications such as acceleration of elementary particles, production of energy by laser fusion, generation of x-ray and far-infrared “terahertz” pulses for medical and materials probing, remote sensing of explosives and pollutants, and generation of guide stars. Such laser-plasma interactions create tiny electron density structures (analogous to the wake behind a boat) inside the plasma in the shape of waves, bubbles and filaments that move at the speed of light, and evolve as they propagate. Prior to recent work by the PI of this proposal, detailed knowledgemore » of such structures came exclusively from intensive computer simulations. Now “snapshots” of these elusive, light-velocity structures can be taken in the laboratory using dynamic variant of holography, the technique used to produce ID cards and DVDs, and dynamic variant of tomography, the technique used in medicine to image internal bodily organs. These fast visualization techniques are important for understanding, improving and scaling the above-mentioned applications of laser-plasma interactions. In this project, we accomplished three things: 1) We took holographic pictures of a laser-driven plasma-wave in the act of accelerating electrons to high energy, and used computer simulations to understand the pictures. 2) Using results from this experiment to optimize the performance of the accelerator, and the brightness of x-rays that it emits. These x-rays will be useful for medical and materials science applications. 3) We made technical improvements to the holographic technique that enables us to see finer details in the recorded pictures. Four refereed journal papers were published, and two students earned PhDs and moved on to scientific careers in US National Laboratories based on their work under this project.« less

Effect of Initial Conditions on Gas-Puff Z-Pinch Dynamics.

NASA Astrophysics Data System (ADS)

Peterson, Gus Gordon

This dissertation concerns the effects initial conditions have on the dynamics of an imploded, annular gas-puff z-pinch. The influence of axial magnetic fields, nozzle size and composition, different gases, pre-ionization, and electrode design on pinch quality and x-ray yield is investigated. The experiment uses a 5-kJ capacitor bank to deliver 0.35 MA to the pinch load in 1.4 mu rm s. This research establishes parameters important to increasing the x-ray yield of dense z-pinches. The initial stage of the implosion is diagnosed with a framing camera that photographs visible light emitted from z-pinch gas breakdown. Data from subsequent stages of the pinch is recorded with a B-dot probe, filtered x-ray diodes, an x-ray filtered pinhole camera, and a nitrogen laser interferometer. Applied axial magnetic fields of ~100 gauss increase average x-ray yield by more than 20%. A substantial increase of K-shell x -ray yield of more than 200% was obtained by increasing the energy delivered to the plasma by enlarging the nozzle diameter from 4 to 5 cm. The use of a Teflon outer-mantle for the nozzle resulted in less uniform gas breakdown as compared to graphite and copper outer-mantles, but x-ray yield and final state uniformity were not reduced. Lower Z gases showed poorer breakdown uniformity. Pre-ionization improved the uniformity of helium and neon breakdown but did not appear to affect subsequent dynamics. X-ray yield was significantly higher using a knife-edge annular anode, as opposed to a flat stainless steel honeycomb anode. Annular anodes with diameters more than a few millimeters different than the nozzle diameter produced low quality pinches with substantially lower x-ray yield.

Line x-ray source for diffraction enhanced imaging in clinical and industrial applications

NASA Astrophysics Data System (ADS)

Wang, Xiaoqin

Mammography is one type of imaging modalities that uses a low-dose x-ray or other radiation sources for examination of breasts. It plays a central role in early detection of breast cancers. The material similarity of tumor-cell and health cell, breast implants surgery and other factors, make the breast cancers hard to visualize and detect. Diffraction enhanced imaging (DEI), first proposed and investigated by D. Chapman is a new x-ray radiographic imaging modality using monochromatic x-rays from a synchrotron source, which produced images of thick absorbing objects that are almost completely free of scatter. It shows dramatically improved contrast over standard imaging when applied to the same phantom. The contrast is based not only on attenuation but also on the refraction and diffraction properties of the sample. This imaging method may improve image quality of mammography, other medical applications, industrial radiography for non-destructive testing and x-ray computed tomography. However, the size, and cost, of a synchrotron source limits the application of the new modality to be applicable at clinical levels. This research investigates the feasibility of a designed line x-ray source to produce intensity compatible to synchrotron sources. It is composed of a 2-cm in length tungsten filament, installed on a carbon steel filament cup (backing plate), as the cathode and a stationary oxygen-free copper anode with molybdenum coating on the front surface serves as the target. Characteristic properties of the line x-ray source were computationally studied and the prototype was experimentally investigated. SIMIION code was used to computationally study the electron trajectories emanating from the filament towards the molybdenum target. A Faraday cup on the prototype device, proof-of-principle, was used to measure the distribution of electrons on the target, which compares favorably to computational results. The intensities of characteristic x-ray for molybdenum, tungsten and rhodium targets were investigated with different window materials for -30kV to -100kV applied potential. Heat loading and thermal management of the target has been investigated computationally using COMSOL code package, and experimental measurements of target temperature rise was taken via thermocouples attached to the target. Temperature measurements for low voltage, low current regime without active cooling were compared to computational results for code-experiment benchmarking. Two different phantoms were used in the simulation of DEI images, which showed that the designed x-ray source with DEI setup could produce images with significant improved contrast. The computational results, along with experimental measurements on the prototype setup, indicate the possibility of scale up to larger area x-ray source adequate for DEI applications.

Time-dependent Schrödinger equation for molecular core-hole dynamics

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

Picón, A.

2017-02-01

X-ray spectroscopy is an important tool for the investigation of matter. X rays primarily interact with inner-shell electrons, creating core (inner-shell) holes that will decay on the time scale of attoseconds to a few femtoseconds through electron relaxations involving the emission of a photon or an electron. Furthermore, the advent of femtosecond x-ray pulses expands x-ray spectroscopy to the time domain and will eventually allow the control of core-hole population on time scales comparable to core-vacancy lifetimes. For both cases, a theoretical approach that accounts for the x-ray interaction while the electron relaxations occur is required. We describe a time-dependentmore » framework, based on solving the time-dependent Schrödinger equation, that is suitable for describing the induced electron and nuclear dynamics.« less

Towards ultrafast dynamics with split-pulse X-ray photon correlation spectroscopy at free electron laser sources

DOE PAGES

Roseker, W.; Hruszkewycz, S. O.; Lehmkuhler, F.; ...

2018-04-27

One of the important challenges in condensed matter science is to understand ultrafast, atomic-scale fluctuations that dictate dynamic processes in equilibrium and non-equilibrium materials. Here, we report an important step towards reaching that goal by using a state-of-the-art perfect crystal based split-and-delay system, capable of splitting individual X-ray pulses and introducing femtosecond to nanosecond time delays. We show the results of an ultrafast hard X-ray photon correlation spectroscopy experiment at LCLS where split X-ray pulses were used to measure the dynamics of gold nanoparticles suspended in hexane. We show how reliable speckle contrast values can be extracted even from verymore » low intensity free electron laser (FEL) speckle patterns by applying maximum likelihood fitting, thus demonstrating the potential of a split-and-delay approach for dynamics measurements at FEL sources. This will enable the characterization of equilibrium and, importantly also reversible non-equilibrium processes in atomically disordered materials.« less

Towards ultrafast dynamics with split-pulse X-ray photon correlation spectroscopy at free electron laser sources

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

Roseker, W.; Hruszkewycz, S. O.; Lehmkuhler, F.

One of the important challenges in condensed matter science is to understand ultrafast, atomic-scale fluctuations that dictate dynamic processes in equilibrium and non-equilibrium materials. Here, we report an important step towards reaching that goal by using a state-of-the-art perfect crystal based split-and-delay system, capable of splitting individual X-ray pulses and introducing femtosecond to nanosecond time delays. We show the results of an ultrafast hard X-ray photon correlation spectroscopy experiment at LCLS where split X-ray pulses were used to measure the dynamics of gold nanoparticles suspended in hexane. We show how reliable speckle contrast values can be extracted even from verymore » low intensity free electron laser (FEL) speckle patterns by applying maximum likelihood fitting, thus demonstrating the potential of a split-and-delay approach for dynamics measurements at FEL sources. This will enable the characterization of equilibrium and, importantly also reversible non-equilibrium processes in atomically disordered materials.« less

Filming nuclear dynamics of iodine using x-ray diffraction at the LCLS

NASA Astrophysics Data System (ADS)

Ware, Matthew; Natan, Adi; Glownia, James; Cryan, James; Bucksbaum, Phil

2017-04-01

We will provide an overview of our analysis of the nuclear dynamics of iodine. At the LCLS, we pumped a gas cell of iodine with a weak 520nm, 50 fs pulse, and the nuclear dynamics are then probed with 9 keV, 40 fs x-rays with variable time delay. This allows us to simultaneously image nuclear wavepackets on the dissociating A state, on the bound B state, and even Raman wavepackets in the ground electronic state. We will explain at length how we isolate each of these signals using a Legendre decomposition of our x-ray data and the selection rules for each of the transitions. Likewise, we will discuss how we convert the x-ray diffraction patterns into real-space movies of the nuclear dynamics. Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Atomic, Molecular, and Optical Science Program. Use of LCLS supported under DOE Contract No. DE-AC02-76F00515.

Barium Sulfate

MedlinePlus

... and intestine using x-rays or computed tomography (CAT scan, CT scan; a type of body scan that uses a ... be clearly seen by x-ray examination or CT scan. ... more times before an x-ray examination or CT scan.If you are using a barium sulfate enema, ...

Counter tube window and X-ray fluorescence analyzer study

NASA Technical Reports Server (NTRS)

Hertel, R.; Holm, M.

1973-01-01

A study was performed to determine the best design tube window and X-ray fluorescence analyzer for quantitative analysis of Venusian dust and condensates. The principal objective of the project was to develop the best counter tube window geometry for the sensing element of the instrument. This included formulation of a mathematical model of the window and optimization of its parameters. The proposed detector and instrument has several important features. The instrument will perform a near real-time analysis of dust in the Venusian atmosphere, and is capable of measuring dust layers less than 1 micron thick. In addition, wide dynamic measurement range will be provided to compensate for extreme variations in count rates. An integral pulse-height analyzer and memory accumulate data and read out spectra for detail computer analysis on the ground.

«

8

9

10

11

12

»

«

9

10

11

12

13

»

Investigating lithium-ion battery materials during overcharge-induced thermal runaway: an operando and multi-scale X-ray CT study.

PubMed

Finegan, Donal P; Scheel, Mario; Robinson, James B; Tjaden, Bernhard; Di Michiel, Marco; Hinds, Gareth; Brett, Dan J L; Shearing, Paul R

2016-11-16

Catastrophic failure of lithium-ion batteries occurs across multiple length scales and over very short time periods. A combination of high-speed operando tomography, thermal imaging and electrochemical measurements is used to probe the degradation mechanisms leading up to overcharge-induced thermal runaway of a LiCoO 2 pouch cell, through its interrelated dynamic structural, thermal and electrical responses. Failure mechanisms across multiple length scales are explored using a post-mortem multi-scale tomography approach, revealing significant morphological and phase changes in the LiCoO 2 electrode microstructure and location dependent degradation. This combined operando and multi-scale X-ray computed tomography (CT) technique is demonstrated as a comprehensive approach to understanding battery degradation and failure.

Multi-frame X-ray Phase Contrast Imaging (MPCI) for Dynamic Experiments

NASA Astrophysics Data System (ADS)

Iverson, Adam; Carlson, Carl; Sanchez, Nathaniel; Jensen, Brian

2017-06-01

Recent advances in coupling synchrotron X-ray diagnostics to dynamic experiments are providing new information about the response of materials at extremes. For example, propagation based X-ray Phase Contrast Imaging (PCI) which is sensitive to differences in density has been successfully used to study a wide range of phenomena, e.g. jet-formation, compression of additive manufactured (AM) materials, and detonator dynamics. In this talk, we describe the current multi-frame X-ray phase contrast imaging (MPCI) system which allows up to eight frames per experiment, remote optimization, and an improved optical design that increases optical efficiency and accommodates dual-magnification during a dynamic event. Data will be presented that used the dual-magnification feature to obtain multiple images of an exploding foil initiator. In addition, results from static testing will be presented that used a multiple scintillator configuration required to extend the density retrieval to multi-constituent, or heterogeneous systems. The continued development of this diagnostic is fundamentally important to capabilities at the APS including IMPULSE and the Dynamic Compression Sector (DCS), and will benefit future facilities such as MaRIE at Los Alamos National Laboratory.

TH-AB-209-07: High Resolution X-Ray-Induced Acoustic Computed Tomography

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

Xiang, L; Tang, S; Ahmad, M

Purpose: X-ray radiographic absorption imaging is an invaluable tool in medical diagnostics, biology and materials science. However, the use of conventional CT is limited by two factors: the detection sensitivity to weak absorption material and the radiation dose from CT scanning. The purpose of this study is to explore X-ray induced acoustic computed tomography (XACT), a new imaging modality, which combines X-ray absorption contrast and high ultrasonic resolution to address these challenges. Methods: First, theoretical models was built to analyze the XACT sensitivity to X-ray absorption and calculate the minimal radiation dose in XACT imaging. Then, an XACT system comprisedmore » of an ultrashort X-ray pulse, a low noise ultrasound detector and a signal acquisition system was built to evaluate the X-ray induced acoustic signal generation. A piece of chicken bone and a phantom with two golden fiducial markers were exposed to 270 kVp X-ray source with 60 ns exposure time, and the X-ray induced acoustic signal was received by a 2.25MHz ultrasound transducer in 200 positions. XACT images were reconstructed by a filtered back-projection algorithm. Results: The theoretical analysis shows that X-ray induced acoustic signals have 100% relative sensitivity to X-ray absorption, but not to X-ray scattering. Applying this innovative technology to breast imaging, we can reduce radiation dose by a factor of 50 compared with newly FDA approved breast CT. The reconstructed images of chicken bone and golden fiducial marker phantom reveal that the spatial resolution of the built XACT system is 350µm. Conclusion: In XACT, the imaging sensitivity to X-ray absorption is improved and the imaging dose is dramatically reduced by using ultrashort pulsed X-ray. Taking advantage of the high ultrasonic resolution, we can also perform 3D imaging with a single X-ray pulse. This new modality has the potential to revolutionize x-ray imaging applications in medicine and biology.« less

Photon-in photon-out hard X-ray spectroscopy at the Linac Coherent Light Source

DOE PAGES

Alonso-Mori, Roberto; Sokaras, Dimosthenis; Zhu, Diling; ...

2015-04-15

X-ray free-electron lasers (FELs) have opened unprecedented possibilities to study the structure and dynamics of matter at an atomic level and ultra-fast timescale. Many of the techniques routinely used at storage ring facilities are being adapted for experiments conducted at FELs. In order to take full advantage of these new sources several challenges have to be overcome. They are related to the very different source characteristics and its resulting impact on sample delivery, X-ray optics, X-ray detection and data acquisition. Here it is described how photon-in photon-out hard X-ray spectroscopy techniques can be applied to study the electronic structure andmore » its dynamics of transition metal systems with ultra-bright and ultra-short FEL X-ray pulses. In particular, some of the experimental details that are different compared with synchrotron-based setups are discussed and illustrated by recent measurements performed at the Linac Coherent Light Source.« less

Generation of High Brightness X-rays with the PLEIADES Thomson X-ray Source

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

Brown, W J; Anderson, S G; Barty, C P J

2003-05-28

The use of short laser pulses to generate high peak intensity, ultra-short x-ray pulses enables exciting new experimental capabilities, such as femtosecond pump-probe experiments used to temporally resolve material structural dynamics on atomic time scales. PLEIADES (Picosecond Laser Electron InterAction for Dynamic Evaluation of Structures) is a next generation Thomson scattering x-ray source being developed at Lawrence Livermore National Laboratory (LLNL). Ultra-fast picosecond x-rays (10-200 keV) are generated by colliding an energetic electron beam (20-100 MeV) with a high intensity, sub-ps, 800 nm laser pulse. The peak brightness of the source is expected to exceed 10{sup 20} photons/s/0.1% bandwidth/mm2/mrad2. Simulationsmore » of the electron beam production, transport, and final focus are presented. Electron beam measurements, including emittance and final focus spot size are also presented and compared to simulation results. Measurements of x-ray production are also reported and compared to theoretical calculations.« less

Opportunities and challenges for time-resolved studies of protein structural dynamics at X-ray free-electron lasers.

PubMed

Neutze, Richard

2014-07-17

X-ray free-electron lasers (XFELs) are revolutionary X-ray sources. Their time structure, providing X-ray pulses of a few tens of femtoseconds in duration; and their extreme peak brilliance, delivering approximately 10(12) X-ray photons per pulse and facilitating sub-micrometre focusing, distinguish XFEL sources from synchrotron radiation. In this opinion piece, I argue that these properties of XFEL radiation will facilitate new discoveries in life science. I reason that time-resolved serial femtosecond crystallography and time-resolved wide angle X-ray scattering are promising areas of scientific investigation that will be advanced by XFEL capabilities, allowing new scientific questions to be addressed that are not accessible using established methods at storage ring facilities. These questions include visualizing ultrafast protein structural dynamics on the femtosecond to picosecond time-scale, as well as time-resolved diffraction studies of non-cyclic reactions. I argue that these emerging opportunities will stimulate a renaissance of interest in time-resolved structural biochemistry.

Microgravity

NASA Image and Video Library

2001-06-06

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

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.

Lung function imaging methods in Cystic Fibrosis pulmonary disease.

PubMed

Kołodziej, Magdalena; de Veer, Michael J; Cholewa, Marian; Egan, Gary F; Thompson, Bruce R

2017-05-17

Monitoring of pulmonary physiology is fundamental to the clinical management of patients with Cystic Fibrosis. The current standard clinical practise uses spirometry to assess lung function which delivers a clinically relevant functional readout of total lung function, however does not supply any visible or localised information. High Resolution Computed Tomography (HRCT) is a well-established current 'gold standard' method for monitoring lung anatomical changes in Cystic Fibrosis patients. HRCT provides excellent morphological information, however, the X-ray radiation dose can become significant if multiple scans are required to monitor chronic diseases such as cystic fibrosis. X-ray phase-contrast imaging is another emerging X-ray based methodology for Cystic Fibrosis lung assessment which provides dynamic morphological and functional information, albeit with even higher X-ray doses than HRCT. Magnetic Resonance Imaging (MRI) is a non-ionising radiation imaging method that is garnering growing interest among researchers and clinicians working with Cystic Fibrosis patients. Recent advances in MRI have opened up the possibilities to observe lung function in real time to potentially allow sensitive and accurate assessment of disease progression. The use of hyperpolarized gas or non-contrast enhanced MRI can be tailored to clinical needs. While MRI offers significant promise it still suffers from poor spatial resolution and the development of an objective scoring system especially for ventilation assessment.

DETECTING RELATIVISTIC X-RAY JETS IN HIGH-REDSHIFT QUASARS

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

McKeough, Kathryn; Siemiginowska, Aneta; Kashyap, Vinay L.

We analyze Chandra X-ray images of a sample of 11 quasars that are known to contain kiloparsec scale radio jets. The sample consists of five high-redshift ( z ≥ 3.6) flat-spectrum radio quasars, and six intermediate redshift (2.1 < z < 2.9) quasars. The data set includes four sources with integrated steep radio spectra and seven with flat radio spectra. A total of 25 radio jet features are present in this sample. We apply a Bayesian multi-scale image reconstruction method to detect and measure the X-ray emission from the jets. We compute deviations from a baseline model that does not include the jet,more » and compare observed X-ray images with those computed with simulated images where no jet features exist. This allows us to compute p -value upper bounds on the significance that an X-ray jet is detected in a pre-determined region of interest. We detected 12 of the features unambiguously, and an additional six marginally. We also find residual emission in the cores of three quasars and in the background of one quasar that suggest the existence of unresolved X-ray jets. The dependence of the X-ray to radio luminosity ratio on redshift is a potential diagnostic of the emission mechanism, since the inverse Compton scattering of cosmic microwave background photons (IC/CMB) is thought to be redshift dependent, whereas in synchrotron models no clear redshift dependence is expected. We find that the high-redshift jets have X-ray to radio flux ratios that are marginally inconsistent with those from lower redshifts, suggesting that either the X-ray emissions are due to the IC/CMB rather than the synchrotron process, or that high-redshift jets are qualitatively different.« less

Computer assisted analysis of medical x-ray images

NASA Astrophysics Data System (ADS)

Bengtsson, Ewert

1996-01-01

X-rays were originally used to expose film. The early computers did not have enough capacity to handle images with useful resolution. The rapid development of computer technology over the last few decades has, however, led to the introduction of computers into radiology. In this overview paper, the various possible roles of computers in radiology are examined. The state of the art is briefly presented, and some predictions about the future are made.

Modeling of the EUV and X-Ray Emission Spectra Induced by the Solar Winds Ions in the Heliosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili

2005-01-01

We have carried out investigation of the EUV and X-ray emission spectra induced in interaction between the Solar Wind (SW) and interstellar neutral gas. The spectra of most important SW ions have been computed for the charge-exchange mechanism of X-ray emission using new accurate spectroscopic data from recent laboratory measurements and theoretical calculations. Total spectra have been constructed as a sum of spectra induced in the charge-exchange collisions by individual O(exp q+), C(exp q+), N(exp q+), Ne(exp q+), Mg (exp q+) and Fe(exp q+) ions. Calculations have been performed for X-ray emission from the heliospheric hydrogen and helium gas. X-ray maps of the heliosphere have been computed. The power density of X-ray sources in the heliospheric ecliptic plane is shown for the H gas and for the He gas. Distances from the Sun (0,0) are given in AU. The helium cone is clear seen in the X-ray map of the charge-exchange emission induced by the solar wind. X-ray emission spectra detected by the Chandra X-ray telescope from the "dark" side of Moon has been identified as a X-ray background emission induced by the solar wind from the geocorona. Spectra and intensities of this charge-exchange X-rays have been compared with the heliospheric component of the X-ray background. Observations and modeling of the SW spectra induced from the geocorona indicate a strong presence of emission lines of highly charged oxygen ions. Anisotropy in distribution of heliospheric X-rays has been predicted and calculated for the regions of the fast and slow solar winds.

SU-E-I-91: Development of a Compact Radiographic Simulator Using Microsoft Kinect.

PubMed

Ono, M; Kozono, K; Aoki, M; Mizoguchi, A; Kamikawa, Y; Umezu, Y; Arimura, H; Toyofuku, F

2012-06-01

Radiographic simulator system is useful for learning radiographic techniques and confirmation of positioning before x-ray irradiation. Conventional x-ray simulators have drawbacks in cost and size, and are only applicable to situations in which position of the object does not change. Therefore, we have developed a new radiographic simulator system using an infrared-ray based three-dimensional shape measurement device (Microsoft Kinect). We made a computer program using OpenCV and OpenNI for processing of depth image data obtained from Kinect, and calculated the exact distance from Kinect to the object by calibration. Theobject was measured from various directions, and positional relationship between the x-ray tube and the object was obtained. X-ray projection images were calculated by projecting x-rays onto the mathematical three-dimensional CT data of a head phantom with almost the same size. The object was rotated from 0 degree (standard position) through 90 degrees in increments of 10 degrees, and the accuracy of the measured rotation angle values was evaluated. In order to improve the computational time, the projection image size was changed (512*512, 256*256, and 128*128). The x-ray simulation images corresponding to the radiographic images produced by using the x-ray tube were obtained. The three-dimensional position of the object was measured with good precision from 0 to 50 degrees, but above 50 degrees, measured position error increased with the increase of the rotation angle. The computational time and image size were 30, 12, and 7 seconds for 512*512, 256*256, and 128*128, respectively. We could measure the three-dimensional position of the object using properly calibrated Kinect sensor, and obtained projection images at relatively high-speed using the three-dimensional CTdata. It was suggested that this system can be used for obtaining simulated projection x-ray images before x-ray exposure by attaching this device onto an x-ray tube. © 2012 American Association of Physicists in Medicine.

The X-ray Correlation Spectroscopy instrument at the Linac Coherent Light Source

PubMed Central

Alonso-Mori, Roberto; Caronna, Chiara; Chollet, Matthieu; Curtis, Robin; Damiani, Daniel S.; Defever, Jim; Feng, Yiping; Flath, Daniel L.; Glownia, James M.; Lee, Sooheyong; Lemke, Henrik T.; Nelson, Silke; Bong, Eric; Sikorski, Marcin; Song, Sanghoon; Srinivasan, Venkat; Stefanescu, Daniel; Zhu, Diling; Robert, Aymeric

2015-01-01

The X-ray Correlation Spectroscopy instrument is dedicated to the study of dynamics in condensed matter systems using the unique coherence properties of free-electron lasers. It covers a photon energy range of 4–25 keV. The intrinsic temporal characteristics of the Linac Coherent Light Source, in particular the 120 Hz repetition rate, allow for the investigation of slow dynamics (milliseconds) by means of X-ray photon correlation spectroscopy. Double-pulse schemes could probe dynamics on the picosecond timescale. A description of the instrument capabilities and recent achievements is presented. PMID:25931061

The Event Detection and the Apparent Velocity Estimation Based on Computer Vision

NASA Astrophysics Data System (ADS)

Shimojo, M.

2012-08-01

The high spatial and time resolution data obtained by the telescopes aboard Hinode revealed the new interesting dynamics in solar atmosphere. In order to detect such events and estimate the velocity of dynamics automatically, we examined the estimation methods of the optical flow based on the OpenCV that is the computer vision library. We applied the methods to the prominence eruption observed by NoRH, and the polar X-ray jet observed by XRT. As a result, it is clear that the methods work well for solar images if the images are optimized for the methods. It indicates that the optical flow estimation methods in the OpenCV library are very useful to analyze the solar phenomena.

Multi-thermal observations of newly formed loops in a dynamic flare

NASA Technical Reports Server (NTRS)

Svestka, Zdenek F.; Fontenla, Juan M.; Machado, Marcos E.; Martin, Sara F.; Neidig, Donald F.

1987-01-01

The dynamic flare of November 6, 1980 (max at about 15:26 UT) developed a rich system of growing loops which could be followed in H-alpha for 1.5 hr. Throughout the flare, these loops, near the limb, were seen in emission against the disk. Theoretical computations of deviations from LTE populations for a hydrogen atom reveal that this requires electron densities in the loops close to, or in excess of 10 to the 12th/cu cm. From measured widths of higher Balmer lines the density at the tops of the loops was found to be 4 x 10 to the 12th/cu cm if no nonthermal motions were present, or 5 x 10 to the 11th/cu cm for a turbulent velocity of about 12 km/s. It is now general knowledge that flare loops are initially observed in X-rays and become visible in H-alpha only after cooling. For such a high density, a loop would cool through radiation from 10 to the 7th to 10 to the 4th K within a few minutes so that the dense H-alpha loops should have heights very close to the heights of the X-ray loops. This, however, contradicts the observations obtained by the HXIS and FCS instruments on board SMM which show the X-ray loops at much higher altitudes than the loops in H-alpha. Therefore, it is suggested that the density must have been significantly lower when the loops were formed, and that the flare loops were apparently both shrinking and increasing in density while cooling.

High energy X-ray CT study on the central void formations and the fuel pin deformations of FBR fuel assemblies

NASA Astrophysics Data System (ADS)

Katsuyama, Kozo; Nagamine, Tsuyoshi; Matsumoto, Shin-ichiro; Sato, Seichi

2007-02-01

The central void formations and deformations of fuel pins were investigated in fuel assemblies irradiated to high burn-up, using a non-destructive X-ray CT (computer tomography) technique. In this X-ray CT, the effect of strong gamma ray activity could be reduced to a negligible degree by using the pulse of a high energy X-ray source and detecting the intensity of the transmitted X-rays in synchronization with the generated X-rays. Clear cross-sectional images of fuel assemblies irradiated to high burn-up in a fast breeder reactor were successively obtained, in which the wrapping wires, cladding, pellets and central voids could be distinctly seen. The diameter of a typical central void measured by X-ray CT agreed with the one obtained by ceramography within an error of 0.1 mm. Based on this result, the dependence of the central void diameter on the linear heating rate was analyzed. In addition, the deformation behavior of a fuel pin along its axial direction could be analyzed from 20 stepwise X-ray cross-sectional images obtained in a small interval, and the results obtained showed a good agreement with the predictions calculated by two computer codes.

Engine materials characterization and damage monitoring by using x ray technologies

NASA Technical Reports Server (NTRS)

Baaklini, George Y.

1993-01-01

X ray attenuation measurement systems that are capable of characterizing density variations in monolithic ceramics and damage due to processing and/or mechanical testing in ceramic and intermetallic matrix composites are developed and applied. Noninvasive monitoring of damage accumulation and failure sequences in ceramic matrix composites is used during room-temperature tensile testing. This work resulted in the development of a point-scan digital radiography system and an in situ x ray material testing system. The former is used to characterize silicon carbide and silicon nitride specimens, and the latter is used to image the failure behavior of silicon-carbide-fiber-reinforced, reaction-bonded silicon nitride matrix composites. State-of-the-art x ray computed tomography is investigated to determine its capabilities and limitations in characterizing density variations of subscale engine components (e.g., a silicon carbide rotor, a silicon nitride blade, and a silicon-carbide-fiber-reinforced beta titanium matrix rod, rotor, and ring). Microfocus radiography, conventional radiography, scanning acoustic microscopy, and metallography are used to substantiate the x ray computed tomography findings. Point-scan digital radiography is a viable technique for characterizing density variations in monolithic ceramic specimens. But it is very limited and time consuming in characterizing ceramic matrix composites. Precise x ray attenuation measurements, reflecting minute density variations, are achieved by photon counting and by using microcollimators at the source and the detector. X ray computed tomography is found to be a unique x ray attenuation measurement technique capable of providing cross-sectional spatial density information in monolithic ceramics and metal matrix composites. X ray computed tomography is proven to accelerate generic composite component development. Radiographic evaluation before, during, and after loading shows the effect of preexisting volume flaws on the fracture behavior of composites. Results from one-, three-, five-, and eight-ply ceramic composite specimens show that x ray film radiography can monitor damage accumulation during tensile loading. Matrix cracking, fiber-matrix debonding, fiber bridging, and fiber pullout are imaged throughout the tensile loading of the specimens. In situ film radiography is found to be a practical technique for estimating interfacial shear strength between the silicon carbide fibers and the reaction-bonded silicon nitride matrix. It is concluded that pretest, in situ, and post-test x ray imaging can provide greater understanding of ceramic matrix composite mechanical behavior.

General Relativistic Effects and QPOs in X-Ray Binaries

NASA Astrophysics Data System (ADS)

Markovic, D.; Lamb, F.

1999-05-01

We have investigated whether general relativistic effects may be responsible for some of the quasi-periodic X-ray brightness oscillations (QPOs) with frequencies 20--300 Hz observed in low-mass binary systems containing accreting neutron stars and black hole candidates. In particular, we have computed the motions of accreting gas in the strong gravitational fields near such objects and have explored possible mechanisms for producing X-ray flux oscillations. We have discovered a family of global gravitomagnetic (Lense-Thirring) warping modes of the inner accretion disk that have precession frequencies ranging up to the single-particle gravitomagnetic precession frequency at the inner edge of the disk, which is 30 Hz if the disk extends inward to the innermost stable circular orbit around a compact object of solar mass with dimensionless angular momentum cJ/GM2 0.2. The highest-frequency warping modes are very localized spiral corrugations of the inner disk and are weakly damped, with Q values 2--50. Precession of regions of enhanced viscous dissipation or modulation of the accretion flow by the precession may produce observable periodic variation of the X-ray flux. Detectable effects might also be produced if the gas in the inner disk breaks up into a collection of distinct clumps. We have analyzed the dynamics of such clumps as well as the conditions required for their formation and survival on time scales long enough to produce oscillations with the coherence observed in X-ray binaries.

Live small-animal X-ray lung velocimetry and lung micro-tomography at the Australian Synchrotron Imaging and Medical Beamline.

PubMed

Murrie, Rhiannon P; Morgan, Kaye S; Maksimenko, Anton; Fouras, Andreas; Paganin, David M; Hall, Chris; Siu, Karen K W; Parsons, David W; Donnelley, Martin

2015-07-01

The high flux and coherence produced at long synchrotron beamlines makes them well suited to performing phase-contrast X-ray imaging of the airways and lungs of live small animals. Here, findings of the first live-animal imaging on the Imaging and Medical Beamline (IMBL) at the Australian Synchrotron are reported, demonstrating the feasibility of performing dynamic lung motion measurement and high-resolution micro-tomography. Live anaesthetized mice were imaged using 30 keV monochromatic X-rays at a range of sample-to-detector propagation distances. A frame rate of 100 frames s(-1) allowed lung motion to be determined using X-ray velocimetry. A separate group of humanely killed mice and rats were imaged by computed tomography at high resolution. Images were reconstructed and rendered to demonstrate the capacity for detailed, user-directed display of relevant respiratory anatomy. The ability to perform X-ray velocimetry on live mice at the IMBL was successfully demonstrated. High-quality renderings of the head and lungs visualized both large structures and fine details of the nasal and respiratory anatomy. The effect of sample-to-detector propagation distance on contrast and resolution was also investigated, demonstrating that soft tissue contrast increases, and resolution decreases, with increasing propagation distance. This new capability to perform live-animal imaging and high-resolution micro-tomography at the IMBL enhances the capability for investigation of respiratory diseases and the acceleration of treatment development in Australia.

«

9

10

11

12

13

»

«

10

11

12

13

14

»

Lattice-level measurement of material strength with LCLS during ultrafast dynamic compression

NASA Astrophysics Data System (ADS)

Milathianaki, Despina; Boutet, Sebastien; Ratner, Daniel; White, William; Williams, Garth; Gleason, Arianna; Swift, Damian; Higginbotham, Andrew; Wark, Justin

2013-10-01

An in-depth understanding of the stress-strain behavior of materials during ultrafast dynamic compression requires experiments that offer in-situ observation of the lattice at the pertinent temporal and spatial scales. To date, the lattice response under extreme strain-rate conditions (>108 s-1) has been inferred predominantly from continuum-level measurements and multi-million atom molecular dynamics simulations. Several time-resolved x-ray diffraction experiments have captured important information on plasticity kinetics, while limited to nanosecond timescales due to the lack of high brilliance ultrafast x-ray sources. Here we present experiments at LCLS combining ultrafast laser-shocks and serial femtosecond x-ray diffraction. The high spectral brightness (~1012 photons per pulse, ΔE/E = 0.2%) and subpicosecond temporal resolution (<100 fs pulsewidth) of the LCLS x-ray free electron laser allow investigations that link simulations and experiments at the fundamental temporal and spatial scales for the first time. We present movies of the lattice undergoing rapid shock-compression, composed by a series of single femtosecond x-ray snapshots, demonstrating the transient behavior while successfully decoupling the elastic and plastic response in polycrystalline Cu.

Distinct charge dynamics in battery electrodes revealed by in situ and operando soft X-ray spectroscopy

PubMed Central

Liu, Xiaosong; Wang, Dongdong; Liu, Gao; Srinivasan, Venkat; Liu, Zhi; Hussain, Zahid; Yang, Wanli

2013-01-01

Developing high-performance batteries relies on material breakthroughs. During the past few years, various in situ characterization tools have been developed and have become indispensible in studying and the eventual optimization of battery materials. However, soft X-ray spectroscopy, one of the most sensitive probes of electronic states, has been mainly limited to ex situ experiments for battery research. Here we achieve in situ and operando soft X-ray absorption spectroscopy of lithium-ion battery cathodes. Taking advantage of the elemental, chemical and surface sensitivities of soft X-rays, we discover distinct lithium-ion and electron dynamics in Li(Co1/3Ni1/3Mn1/3)O2 and LiFePO4 cathodes in polymer electrolytes. The contrast between the two systems and the relaxation effect in LiFePO4 is attributed to a phase transformation mechanism, and the mesoscale morphology and charge conductivity of the electrodes. These discoveries demonstrate feasibility and power of in situ soft X-ray spectroscopy for studying integrated and dynamic effects in batteries. PMID:24100759

Simulation of X-ray transient absorption for following vibrations in coherently ionized F2 molecules

NASA Astrophysics Data System (ADS)

Dutoi, Anthony D.; Leone, Stephen R.

2017-01-01

Femtosecond and attosecond X-ray transient absorption experiments are becoming increasingly sophisticated tools for probing nuclear dynamics. In this work, we explore and develop theoretical tools needed for interpretation of such spectra,in order to characterize the vibrational coherences that result from ionizing a molecule in a strong IR field. Ab initio data for F2 is combined with simulations of nuclear dynamics, in order to simulate time-resolved X-ray absorption spectra for vibrational wavepackets after coherent ionization at 0 K and at finite temperature. Dihalogens pose rather difficult electronic structure problems, and the issues encountered in this work will be reflective of those encountered with any core-valence excitation simulation when a bond is breaking. The simulations reveal a strong dependence of the X-ray absorption maximum on the locations of the vibrational wave packets. A Fourier transform of the simulated signal shows features at the overtone frequencies of both the neutral and the cation, which reflect spatial interferences of the vibrational eigenstates. This provides a direct path for implementing ultrafast X-ray spectroscopic methods to visualize coherent nuclear dynamics.

The feasibility study on 3-dimensional fluorescent x-ray computed tomography using the pinhole effect for biomedical applications.

PubMed

Sunaguchi, Naoki; Yuasa, Tetsuya; Hyodo, Kazuyuki; Zeniya, Tsutomu

2013-01-01

We propose a 3-dimensional fluorescent x-ray computed tomography (CT) pinhole collimator, aimed at providing molecular imaging with quantifiable measures and sub-millimeter spatial resolution. In this study, we demonstrate the feasibility of this concept and investigate imaging properties such as spatial resolution, contrast resolution and quantifiable measures, by imaging physical phantoms using a preliminary imaging system developed with monochromatic synchrotron x rays constructed at the BLNE-7A experimental line at KEK, Japan.

Progression of 3D Protein Structure and Dynamics Measurements

NASA Astrophysics Data System (ADS)

Sato-Tomita, Ayana; Sekiguchi, Hiroshi; Sasaki, Yuji C.

2018-06-01

New measurement methodologies have begun to be proposed with the recent progress in the life sciences. Here, we introduce two new methodologies, X-ray fluorescence holography for protein structural analysis and diffracted X-ray tracking (DXT), to observe the dynamic behaviors of individual single molecules.

Unwrapping an Ancient Egyptian Mummy Using X-Rays

ERIC Educational Resources Information Center

Hughes, Stephen W.

2010-01-01

This article describes a project of unwrapping an ancient Egyptian mummy using x-ray computed tomography (CT). About 600 x-ray CT images were obtained through the mummified body of a female named Tjetmutjengebtiu (or Jeni for short), who was a singer in the great temple of Karnak in Egypt during the 22nd dynasty (c 945-715 BC). The x-ray CT images…

Visualization of x-ray computer tomography using computer-generated holography

NASA Astrophysics Data System (ADS)

Daibo, Masahiro; Tayama, Norio

1998-09-01

The theory converted from x-ray projection data to the hologram directly by combining the computer tomography (CT) with the computer generated hologram (CGH), is proposed. The purpose of this study is to offer the theory for realizing the all- electronic and high-speed seeing through 3D visualization system, which is for the application to medical diagnosis and non- destructive testing. First, the CT is expressed using the pseudo- inverse matrix which is obtained by the singular value decomposition. CGH is expressed in the matrix style. Next, `projection to hologram conversion' (PTHC) matrix is calculated by the multiplication of phase matrix of CGH with pseudo-inverse matrix of the CT. Finally, the projection vector is converted to the hologram vector directly, by multiplication of the PTHC matrix with the projection vector. Incorporating holographic analog computation into CT reconstruction, it becomes possible that the calculation amount is drastically reduced. We demonstrate the CT cross section which is reconstituted by He-Ne laser in the 3D space from the real x-ray projection data acquired by x-ray television equipment, using our direct conversion technique.

Dynamics of direct X-ray detection processes in high-Z Bi2O3 nanoparticles-loaded PFO polymer-based diodes

NASA Astrophysics Data System (ADS)

Ciavatti, A.; Cramer, T.; Carroli, M.; Basiricò, L.; Fuhrer, R.; De Leeuw, D. M.; Fraboni, B.

2017-10-01

Semiconducting polymer based X-ray detectors doped with high-Z nanoparticles hold the promise to combine mechanical flexibility and large-area processing with a high X-ray stopping power and sensitivity. Currently, a lack of understanding of how nanoparticle doping impacts the detector dynamics impedes the optimization of such detectors. Here, we study direct X-ray radiation detectors based on the semiconducting polymer poly(9,9-dioctyfluorene) blended with Bismuth(III)oxide (Bi2O3) nanoparticles (NPs). Pure polymer diodes show a high mobility of 1.3 × 10-5 cm2/V s, a low leakage current of 200 nA/cm2 at -80 V, and a high rectifying factor up to 3 × 105 that allow us to compare the X-ray response of a polymer detector in charge-injection conditions (forward bias) and in charge-collection conditions (reverse bias), together with the impact of NP-loading in the two operation regimes. When operated in reverse bias, the detectors reach the state of the art sensitivity of 24 μC/Gy cm2, providing a fast photoresponse. In forward operation, a slower detection dynamics but improved sensitivity (up to 450 ± 150 nC/Gy) due to conductive gain is observed. High-Z NP doping increases the X-ray absorption, but higher NP loadings lead to a strong reduction of charge-carrier injection and transport due to a strong impact on the semiconductor morphology. Finally, the time response of optimized detectors showed a cut-off frequency up to 200 Hz. Taking advantage of such a fast dynamic response, we demonstrate an X-ray based velocity tracking system.

Development of Rhizo-Columns for Nondestructive Root System Architecture Laboratory Measurements

NASA Astrophysics Data System (ADS)

Oostrom, M.; Johnson, T. J.; Varga, T.; Hess, N. J.; Wietsma, T. W.

2016-12-01

Numerical models for root water uptake in plant-soil systems have been developing rapidly, increasing the demand for laboratory experimental data to test and verify these models. Most of the increasingly detailed models are either compared to long-term field crop data or do not involve comparisons at all. Ideally, experiments would provide information on dynamic root system architecture (RSA) in combination with soil-pant hydraulics such as water pressures and volumetric water contents. Data obtained from emerging methods such as Spectral Induced Polarization (SIP) and x-ray computed tomography (x-ray CT) may be used to provide laboratory RSA data needed for model comparisons. Point measurements such as polymer tensiometers (PT) may provide soil moisture information over a large range of water pressures, from field capacity to the wilting point under drought conditions. In the presentation, we demonstrate a novel laboratory capability allowing for detailed RSA studies in large columns under controlled conditions using automated SIP, X-ray CT, and PT methods. Examples are shown for pea and corn root development under various moisture regimes.

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

DOE PAGES

Kučerka, Norbert; Heberle, Frederick A.; Pan, Jianjun; ...

2015-09-21

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

Monochromatic computed microtomography using laboratory and synchrotron sources and X-ray fluorescence analysis for comprehensive analysis of structural changes in bones.

PubMed

Buzmakov, Alexey; Chukalina, Marina; Nikolaev, Dmitry; Gulimova, Victoriya; Saveliev, Sergey; Tereschenko, Elena; Seregin, Alexey; Senin, Roman; Zolotov, Denis; Prun, Victor; Shaefer, Gerald; Asadchikov, Victor

2015-06-01

A combination of X-ray tomography at different wavelengths and X-ray fluorescence analysis was applied in the study of two types of bone tissue changes: prolonged presence in microgravity conditions and age-related bone growth. The proximal tail vertebrae of geckos were selected for investigation because they do not bear the supporting load in locomotion, which allows them to be considered as an independent indicator of gravitational influence. For the vertebrae of geckos no significant differences were revealed in the elemental composition of the flight samples and the synchronous control samples. In addition, the gecko bone tissue samples from the jaw apparatus, spine and shoulder girdle were measured. The dynamics of structural changes in the bone tissue growth was studied using samples of a human fetal hand. The hands of human fetuses of 11-15 weeks were studied. Autonomous zones of calcium accumulation were found not only in individual fingers but in each of the investigated phalanges. The results obtained are discussed.

Monochromatic computed microtomography using laboratory and synchrotron sources and X-ray fluorescence analysis for comprehensive analysis of structural changes in bones1

PubMed Central

Buzmakov, Alexey; Chukalina, Marina; Nikolaev, Dmitry; Gulimova, Victoriya; Saveliev, Sergey; Tereschenko, Elena; Seregin, Alexey; Senin, Roman; Zolotov, Denis; Prun, Victor; Shaefer, Gerald; Asadchikov, Victor

2015-01-01

A combination of X-ray tomography at different wavelengths and X-ray fluorescence analysis was applied in the study of two types of bone tissue changes: prolonged presence in microgravity conditions and age-related bone growth. The proximal tail vertebrae of geckos were selected for investigation because they do not bear the supporting load in locomotion, which allows them to be considered as an independent indicator of gravitational influence. For the vertebrae of geckos no significant differences were revealed in the elemental composition of the flight samples and the synchronous control samples. In addition, the gecko bone tissue samples from the jaw apparatus, spine and shoulder girdle were measured. The dynamics of structural changes in the bone tissue growth was studied using samples of a human fetal hand. The hands of human fetuses of 11–15 weeks were studied. Autonomous zones of calcium accumulation were found not only in individual fingers but in each of the investigated phalanges. The results obtained are discussed. PMID:26089762

High-Resolution Detector For X-Ray Diffraction

NASA Technical Reports Server (NTRS)

Carter, Daniel C.; Withrow, William K.; Pusey, Marc L.; Yost, Vaughn H.

1988-01-01

Proposed x-ray-sensitive imaging detector offers superior spatial resolution, counting-rate capacity, and dynamic range. Instrument based on laser-stimulated luminescence and reusable x-ray-sensitive film. Detector scans x-ray film line by line. Extracts latent image in film and simultaneously erases film for reuse. Used primarily for protein crystallography. Principle adapted to imaging detectors for electron microscopy and fluorescence spectroscopy and general use in astronomy, engineering, and medicine.

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.

DynAMITe: a prototype large area CMOS APS for breast cancer diagnosis using x-ray diffraction measurements

NASA Astrophysics Data System (ADS)

Konstantinidis, A.; Anaxagoras, T.; Esposito, M.; Allinson, N.; Speller, R.

2012-03-01

X-ray diffraction studies are used to identify specific materials. Several laboratory-based x-ray diffraction studies were made for breast cancer diagnosis. Ideally a large area, low noise, linear and wide dynamic range digital x-ray detector is required to perform x-ray diffraction measurements. Recently, digital detectors based on Complementary Metal-Oxide- Semiconductor (CMOS) Active Pixel Sensor (APS) technology have been used in x-ray diffraction studies. Two APS detectors, namely Vanilla and Large Area Sensor (LAS), were developed by the Multidimensional Integrated Intelligent Imaging (MI-3) consortium to cover a range of scientific applications including x-ray diffraction. The MI-3 Plus consortium developed a novel large area APS, named as Dynamically Adjustable Medical Imaging Technology (DynAMITe), to combine the key characteristics of Vanilla and LAS with a number of extra features. The active area (12.8 × 13.1 cm2) of DynaMITe offers the ability of angle dispersive x-ray diffraction (ADXRD). The current study demonstrates the feasibility of using DynaMITe for breast cancer diagnosis by identifying six breast-equivalent plastics. Further work will be done to optimize the system in order to perform ADXRD for identification of suspicious areas of breast tissue following a conventional mammogram taken with the same sensor.

Nanosecond time resolved x-ray diagnostics of relativistic electron beam initiated events

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

Kuswa, Glenn W.; Chang, James

The dynamic behavior of a test sample during aid shortly after it has teen irradiated by an intense relativistic electron beam (REB) is of great interest to the study of team energy deposition. Since the sample densities are far beyond the cutoff in the optical region, flash x-radiography techniques have been developed to diagnose the evolution of the samples. The conventional approach of analyzing the dynamic behavior of solid densities utilizes one or more short x-ray bursts to record images on photographic emulsion. This technique is not useful in the presence of the intense x-rays from the REB interacting withmore » the sample. We report two techniques for isolating the film package from the REB x-ray pulse.« less

A beam optics study of a modular multi-source X-ray tube for novel computed tomography applications

NASA Astrophysics Data System (ADS)

Walker, Brandon J.; Radtke, Jeff; Chen, Guang-Hong; Eliceiri, Kevin W.; Mackie, Thomas R.

2017-10-01

A modular implementation of a scanning multi-source X-ray tube is designed for the increasing number of multi-source imaging applications in computed tomography (CT). An electron beam array coupled with an oscillating magnetic deflector is proposed as a means for producing an X-ray focal spot at any position along a line. The preliminary multi-source model includes three thermionic electron guns that are deflected in tandem by a slowly varying magnetic field and pulsed according to a scanning sequence that is dependent on the intended imaging application. Particle tracking simulations with particle dynamics analysis software demonstrate that three 100 keV electron beams are laterally swept a combined distance of 15 cm over a stationary target with an oscillating magnetic field of 102 G perpendicular to the beam axis. Beam modulation is accomplished using 25 μs pulse widths to a grid electrode with a reverse gate bias of -500 V and an extraction voltage of +1000 V. Projected focal spot diameters are approximately 1 mm for 138 mA electron beams and the stationary target stays within thermal limits for the 14 kW module. This concept could be used as a research platform for investigating high-speed stationary CT scanners, for lowering dose with virtual fan beam formation, for reducing scatter radiation in cone-beam CT, or for other industrial applications.

X-Ray Sum Frequency Diffraction for Direct Imaging of Ultrafast Electron Dynamics

NASA Astrophysics Data System (ADS)

Rouxel, Jérémy R.; Kowalewski, Markus; Bennett, Kochise; Mukamel, Shaul

2018-06-01

X-ray diffraction from molecules in the ground state produces an image of their charge density, and time-resolved x-ray diffraction can thus monitor the motion of the nuclei. However, the density change of excited valence electrons upon optical excitation can barely be monitored with regular diffraction techniques due to the overwhelming background contribution of the core electrons. We present a nonlinear x-ray technique made possible by novel free electron laser sources, which provides a spatial electron density image of valence electron excitations. The technique, sum frequency generation carried out with a visible pump and a broadband x-ray diffraction pulse, yields snapshots of the transition charge densities, which represent the electron density variations upon optical excitation. The technique is illustrated by ab initio simulations of transition charge density imaging for the optically induced electronic dynamics in a donor or acceptor substituted stilbene.

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

Atmospheric changes caused by galactic cosmic rays over the period 1960–2010

DOE PAGES

Jackman, Charles H.; Marsh, Daniel R.; Kinnison, Douglas E.; ...

2016-05-13

The Specified Dynamics version of the Whole Atmosphere Community Climate Model (SD-WACCM) and the Goddard Space Flight Center two-dimensional (GSFC 2-D) models are used to investigate the effect of galactic cosmic rays (GCRs) on the atmosphere over the 1960–2010 time period. The Nowcast of Atmospheric Ionizing Radiation for Aviation Safety (NAIRAS) computation of the GCR-caused ionization rates are used in these simulations. GCR-caused maximum NO x increases of 4–15 % are computed in the Southern polar troposphere with associated ozone increases of 1–2 %. NO x increases of ~1–6 % are calculated for the lower stratosphere with associated ozone decreasesmore » of 0.2–1 %. The primary impact of GCRs on ozone was due to their production of NO x. The impact of GCRs varies with the atmospheric chlorine loading, sulfate aerosol loading, and solar cycle variation. Because of the interference between the NO x and ClO x ozone loss cycles (e.g., the ClO + NO 2+ M → ClONO 2+ M reaction) and the change in the importance of ClO x in the ozone budget, GCRs cause larger atmospheric impacts with less chlorine loading. GCRs also cause larger atmospheric impacts with less sulfate aerosol loading and for years closer to solar minimum. GCR-caused decreases of annual average global total ozone (AAGTO) were computed to be 0.2 % or less with GCR-caused column ozone increases between 1000 and 100 hPa of 0.08 % or less and GCR-caused column ozone decreases between 100 and 1 hPa of 0.23 % or less. Although these computed ozone impacts are small, GCRs provide a natural influence on ozone and need to be quantified over long time periods. This result serves as a lower limit because of the use of the ionization model NAIRAS/HZETRN which underestimates the ion production by neglecting electromagnetic and muon branches of the cosmic ray induced cascade. Furthermore, this will be corrected in future works.« less

«

10

11

12

13

14

»

«

11

12

13

14

15

»

Atmospheric changes caused by galactic cosmic rays over the period 1960–2010

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

Jackman, Charles H.; Marsh, Daniel R.; Kinnison, Douglas E.

The Specified Dynamics version of the Whole Atmosphere Community Climate Model (SD-WACCM) and the Goddard Space Flight Center two-dimensional (GSFC 2-D) models are used to investigate the effect of galactic cosmic rays (GCRs) on the atmosphere over the 1960–2010 time period. The Nowcast of Atmospheric Ionizing Radiation for Aviation Safety (NAIRAS) computation of the GCR-caused ionization rates are used in these simulations. GCR-caused maximum NO x increases of 4–15 % are computed in the Southern polar troposphere with associated ozone increases of 1–2 %. NO x increases of ~1–6 % are calculated for the lower stratosphere with associated ozone decreasesmore » of 0.2–1 %. The primary impact of GCRs on ozone was due to their production of NO x. The impact of GCRs varies with the atmospheric chlorine loading, sulfate aerosol loading, and solar cycle variation. Because of the interference between the NO x and ClO x ozone loss cycles (e.g., the ClO + NO 2+ M → ClONO 2+ M reaction) and the change in the importance of ClO x in the ozone budget, GCRs cause larger atmospheric impacts with less chlorine loading. GCRs also cause larger atmospheric impacts with less sulfate aerosol loading and for years closer to solar minimum. GCR-caused decreases of annual average global total ozone (AAGTO) were computed to be 0.2 % or less with GCR-caused column ozone increases between 1000 and 100 hPa of 0.08 % or less and GCR-caused column ozone decreases between 100 and 1 hPa of 0.23 % or less. Although these computed ozone impacts are small, GCRs provide a natural influence on ozone and need to be quantified over long time periods. This result serves as a lower limit because of the use of the ionization model NAIRAS/HZETRN which underestimates the ion production by neglecting electromagnetic and muon branches of the cosmic ray induced cascade. Furthermore, this will be corrected in future works.« less

National Synchrotron Light Source annual report 1991

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

Hulbert, S.L.; Lazarz, N.M.

1992-04-01

This report discusses the following research conducted at NSLS: atomic and molecular science; energy dispersive diffraction; lithography, microscopy and tomography; nuclear physics; UV photoemission and surface science; x-ray absorption spectroscopy; x-ray scattering and crystallography; x-ray topography; workshop on surface structure; workshop on electronic and chemical phenomena at surfaces; workshop on imaging; UV FEL machine reviews; VUV machine operations; VUV beamline operations; VUV storage ring parameters; x-ray machine operations; x-ray beamline operations; x-ray storage ring parameters; superconducting x-ray lithography source; SXLS storage ring parameters; the accelerator test facility; proposed UV-FEL user facility at the NSLS; global orbit feedback systems; and NSLSmore » computer system.« less

Recent Developments in Gun Operating Techniques at the NASA Ames Ballistic Ranges

NASA Technical Reports Server (NTRS)

Bogdanoff, D. W.; Miller, R. J.

1996-01-01

This paper describes recent developments in gun operating techniques at the Ames ballistic range complex. This range complex has been in operation since the early 1960s. Behavior of sabots during separation and projectile-target impact phenomena have long been observed by means of short-duration flash X-rays: new versions allow operation in the lower-energy ("soft") X-ray range and have been found to be more effective than the earlier designs. The dynamics of sabot separation is investigated in some depth from X-ray photographs of sabots launched in the Ames 1.0 in and 1.5 in guns; the sabot separation dynamics appears to be in reasonably good agreement with standard aerodynamic theory. Certain sabot packages appear to suffer no erosion or plastic deformation on traversing the gun barrel, contrary to what would be expected. Gun erosion data from the Ames 0.5 in, 1.0 in, and 1.5 in guns is examined in detail and can be correlated with a particular non- dimensionalized powder mass parameter. The gun erosion increases very rapidly as this parameter is increased. Representative shapes of eroded gun barrels are given. Guided by a computational fluid dynamics (CFD) code, the operating conditions of the Ames 0.5 in and 1.5 in guns were modified. These changes involved: (1) reduction in the piston mass, powder mass and hydrogen fill pressure and (2) reduction in pump tube volume, while maintaining hydrogen mass. These changes resulted in muzzle velocity increases of 0.5-0.8 km/sec, achieved simultaneously with 30-50 percent reductions in gun erosion.

4D Imaging of Salt Precipitation during Evaporation from Saline Porous Media Influenced by the Particle Size Distribution

NASA Astrophysics Data System (ADS)

Norouzi Rad, M.; Shokri, N.

2014-12-01

Understanding the physics of water evaporation from saline porous media is important in many processes such as evaporation from porous media, vegetation, plant growth, biodiversity in soil, and durability of building materials. To investigate the effect of particle size distribution on the dynamics of salt precipitation in saline porous media during evaporation, we applied X-ray micro-tomography technique. Six samples of quartz sand with different grain size distributions were used in the present study enabling us to constrain the effects of particle and pore sizes on salt precipitation patterns and dynamics. The pore size distributions were computed using the pore-scale X-ray images. The packed beds were saturated with NaCl solution of 3 Molal and the X-ray imaging was continued for one day with temporal resolution of 30 min resulting in pore scale information about the evaporation and precipitation dynamics. Our results show more precipitation at the early stage of the evaporation in the case of sand with the larger particle size due to the presence of fewer evaporation sites at the surface. The presence of more preferential evaporation sites at the surface of finer sands significantly modified the patterns and thickness of the salt crust deposited on the surface such that a thinner salt crust was formed in the case of sand with smaller particle size covering larger area at the surface as opposed to the thicker patchy crusts in samples with larger particle sizes. Our results provide new insights regarding the physics of salt precipitation in porous media during evaporation.

Mcps-range photon-counting X-ray computed tomography system utilizing an oscillating linear-YAP(Ce) photon detector

NASA Astrophysics Data System (ADS)

Oda, Yasuyuki; Sato, Eiichi; Abudurexiti, Abulajiang; Hagiwara, Osahiko; Osawa, Akihiro; Matsukiyo, Hiroshi; Enomoto, Toshiyuki; Watanabe, Manabu; Kusachi, Shinya; Sugimura, Shigeaki; Endo, Haruyuki; Sato, Shigehiro; Ogawa, Akira; Onagawa, Jun

2011-07-01

High-speed X-ray photon counting is useful for discriminating photon energy, and the counting can be used for constructing an X-ray computed tomography (CT) system. A photon-counting X-ray CT system consists of an X-ray generator, a turntable, an oscillation linear detector, a two-stage controller, a multipixel photon counter (MPPC) module, a 1.0 mm-thick crystal (scintillator) of YAP(Ce) (cerium-doped yttrium aluminum perovskite), a counter card (CC), and a personal computer (PC). Tomography is accomplished by repeating the linear scanning and the rotation of an object, and projection curves of the object are obtained by the linear scanning using the detector consisting of an MPPC module, the YAP(Ce), and a scan stage. The pulses of the event signal from the module are counted by the CC in conjunction with the PC. Because the lower level of the photon energy was roughly determined by a comparator in the module, the average photon energy of the X-ray spectra increased with increase in the lower-level voltage of the comparator at a constant tube voltage. The maximum count rate was approximately 3 Mcps (mega counts per second), and photon-counting CT was carried out.

From a structural average to the conformational ensemble of a DNA bulge

PubMed Central

Shi, Xuesong; Beauchamp, Kyle A.; Harbury, Pehr B.; Herschlag, Daniel

2014-01-01

Direct experimental measurements of conformational ensembles are critical for understanding macromolecular function, but traditional biophysical methods do not directly report the solution ensemble of a macromolecule. Small-angle X-ray scattering interferometry has the potential to overcome this limitation by providing the instantaneous distance distribution between pairs of gold-nanocrystal probes conjugated to a macromolecule in solution. Our X-ray interferometry experiments reveal an increasing bend angle of DNA duplexes with bulges of one, three, and five adenosine residues, consistent with previous FRET measurements, and further reveal an increasingly broad conformational ensemble with increasing bulge length. The distance distributions for the AAA bulge duplex (3A-DNA) with six different Au-Au pairs provide strong evidence against a simple elastic model in which fluctuations occur about a single conformational state. Instead, the measured distance distributions suggest a 3A-DNA ensemble with multiple conformational states predominantly across a region of conformational space with bend angles between 24 and 85 degrees and characteristic bend directions and helical twists and displacements. Additional X-ray interferometry experiments revealed perturbations to the ensemble from changes in ionic conditions and the bulge sequence, effects that can be understood in terms of electrostatic and stacking contributions to the ensemble and that demonstrate the sensitivity of X-ray interferometry. Combining X-ray interferometry ensemble data with molecular dynamics simulations gave atomic-level models of representative conformational states and of the molecular interactions that may shape the ensemble, and fluorescence measurements with 2-aminopurine-substituted 3A-DNA provided initial tests of these atomistic models. More generally, X-ray interferometry will provide powerful benchmarks for testing and developing computational methods. PMID:24706812

Establishment of a Photon Data Section of the BNL National Nuclear Data Center: A preliminary proposal

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

Hanson, A.L.; Pearlstein, S.

1992-05-01

It is proposed to establish a Photon Data Section (PDS) of the BNL National Nuclear Data Center (NNDC). This would be a total program encompassing both photon-atom and photon-nucleus interactions. By utilizing the existing NNDC data base management expertise and on-line access capabilities, the implementation of photon interaction data activities within the existing NNDC nuclear structure and nuclear-reaction activities can reestablish a viable photon interaction data program at minimum cost. By taking advantage of the on-line capabilities, the x-ray users' community will have access to a dynamic, state-of-the-art data base of interaction information. The proposed information base would include datamore » that presently are scattered throughout the literature usually in tabulated form. It is expected that the data bases would include at least the most precise data available in photoelectric cross sections, atomic form factors and incoherent scattering functions, anomalous scattering factors, oscillator strengths and oscillator densities, fluorescence yields, Auger electron yields, etc. It could also include information not presently available in tabulations or in existing data bases such as EXAFS (extended x-ray absorption fine structure) reference spectra, chemical bonding induced shifts in the photoelectric absorption edge, matrix corrections, x-ray Raman, and x-ray resonant Raman cross sections. The data base will also include the best estimates of the accuracy of the interaction data as it exists in the data base. It is proposed that the PDS would support computer programs written for calculating scattering cross sections for given solid angles, sample geometries, and polarization of incident x-rays, for calculating Compton profiles, and for analyzing data as in EXAFS and x-ray fluorescence.« less

Establishment of a Photon Data Section of the BNL National Nuclear Data Center: A preliminary proposal

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

Hanson, A.L.; Pearlstein, S.

1992-05-01

It is proposed to establish a Photon Data Section (PDS) of the BNL National Nuclear Data Center (NNDC). This would be a total program encompassing both photon-atom and photon-nucleus interactions. By utilizing the existing NNDC data base management expertise and on-line access capabilities, the implementation of photon interaction data activities within the existing NNDC nuclear structure and nuclear-reaction activities can reestablish a viable photon interaction data program at minimum cost. By taking advantage of the on-line capabilities, the x-ray users` community will have access to a dynamic, state-of-the-art data base of interaction information. The proposed information base would include datamore » that presently are scattered throughout the literature usually in tabulated form. It is expected that the data bases would include at least the most precise data available in photoelectric cross sections, atomic form factors and incoherent scattering functions, anomalous scattering factors, oscillator strengths and oscillator densities, fluorescence yields, Auger electron yields, etc. It could also include information not presently available in tabulations or in existing data bases such as EXAFS (extended x-ray absorption fine structure) reference spectra, chemical bonding induced shifts in the photoelectric absorption edge, matrix corrections, x-ray Raman, and x-ray resonant Raman cross sections. The data base will also include the best estimates of the accuracy of the interaction data as it exists in the data base. It is proposed that the PDS would support computer programs written for calculating scattering cross sections for given solid angles, sample geometries, and polarization of incident x-rays, for calculating Compton profiles, and for analyzing data as in EXAFS and x-ray fluorescence.« less

Assessment of Restoration Methods of X-Ray Images with Emphasis on Medical Photogrammetric Usage

NASA Astrophysics Data System (ADS)

Hosseinian, S.; Arefi, H.

2016-06-01

Nowadays, various medical X-ray imaging methods such as digital radiography, computed tomography and fluoroscopy are used as important tools in diagnostic and operative processes especially in the computer and robotic assisted surgeries. The procedures of extracting information from these images require appropriate deblurring and denoising processes on the pre- and intra-operative images in order to obtain more accurate information. This issue becomes more considerable when the X-ray images are planned to be employed in the photogrammetric processes for 3D reconstruction from multi-view X-ray images since, accurate data should be extracted from images for 3D modelling and the quality of X-ray images affects directly on the results of the algorithms. For restoration of X-ray images, it is essential to consider the nature and characteristics of these kinds of images. X-ray images exhibit severe quantum noise due to limited X-ray photons involved. The assumptions of Gaussian modelling are not appropriate for photon-limited images such as X-ray images, because of the nature of signal-dependant quantum noise. These images are generally modelled by Poisson distribution which is the most common model for low-intensity imaging. In this paper, existing methods are evaluated. For this purpose, after demonstrating the properties of medical X-ray images, the more efficient and recommended methods for restoration of X-ray images would be described and assessed. After explaining these approaches, they are implemented on samples from different kinds of X-ray images. By considering the results, it is concluded that using PURE-LET, provides more effective and efficient denoising than other examined methods in this research.

Inverse Transformation: Unleashing Spatially Heterogeneous Dynamics with an Alternative Approach to XPCS Data Analysis.

PubMed

Andrews, Ross N; Narayanan, Suresh; Zhang, Fan; Kuzmenko, Ivan; Ilavsky, Jan

2018-02-01

X-ray photon correlation spectroscopy (XPCS), an extension of dynamic light scattering (DLS) in the X-ray regime, detects temporal intensity fluctuations of coherent speckles and provides scattering vector-dependent sample dynamics at length scales smaller than DLS. The penetrating power of X-rays enables probing dynamics in a broad array of materials with XPCS, including polymers, glasses and metal alloys, where attempts to describe the dynamics with a simple exponential fit usually fails. In these cases, the prevailing XPCS data analysis approach employs stretched or compressed exponential decay functions (Kohlrausch functions), which implicitly assume homogeneous dynamics. In this paper, we propose an alternative analysis scheme based upon inverse Laplace or Gaussian transformation for elucidating heterogeneous distributions of dynamic time scales in XPCS, an approach analogous to the CONTIN algorithm widely accepted in the analysis of DLS from polydisperse and multimodal systems. Using XPCS data measured from colloidal gels, we demonstrate the inverse transform approach reveals hidden multimodal dynamics in materials, unleashing the full potential of XPCS.

Inverse Transformation: Unleashing Spatially Heterogeneous Dynamics with an Alternative Approach to XPCS Data Analysis

PubMed Central

Andrews, Ross N.; Narayanan, Suresh; Zhang, Fan; Kuzmenko, Ivan; Ilavsky, Jan

2018-01-01

X-ray photon correlation spectroscopy (XPCS), an extension of dynamic light scattering (DLS) in the X-ray regime, detects temporal intensity fluctuations of coherent speckles and provides scattering vector-dependent sample dynamics at length scales smaller than DLS. The penetrating power of X-rays enables probing dynamics in a broad array of materials with XPCS, including polymers, glasses and metal alloys, where attempts to describe the dynamics with a simple exponential fit usually fails. In these cases, the prevailing XPCS data analysis approach employs stretched or compressed exponential decay functions (Kohlrausch functions), which implicitly assume homogeneous dynamics. In this paper, we propose an alternative analysis scheme based upon inverse Laplace or Gaussian transformation for elucidating heterogeneous distributions of dynamic time scales in XPCS, an approach analogous to the CONTIN algorithm widely accepted in the analysis of DLS from polydisperse and multimodal systems. Using XPCS data measured from colloidal gels, we demonstrate the inverse transform approach reveals hidden multimodal dynamics in materials, unleashing the full potential of XPCS. PMID:29875506

Cone-beam x-ray luminescence computed tomography based on x-ray absorption dosage.

PubMed

Liu, Tianshuai; Rong, Junyan; Gao, Peng; Zhang, Wenli; Liu, Wenlei; Zhang, Yuanke; Lu, Hongbing

2018-02-01

With the advances of x-ray excitable nanophosphors, x-ray luminescence computed tomography (XLCT) has become a promising hybrid imaging modality. In particular, a cone-beam XLCT (CB-XLCT) system has demonstrated its potential in in vivo imaging with the advantage of fast imaging speed over other XLCT systems. Currently, the imaging models of most XLCT systems assume that nanophosphors emit light based on the intensity distribution of x-ray within the object, not completely reflecting the nature of the x-ray excitation process. To improve the imaging quality of CB-XLCT, an imaging model that adopts an excitation model of nanophosphors based on x-ray absorption dosage is proposed in this study. To solve the ill-posed inverse problem, a reconstruction algorithm that combines the adaptive Tikhonov regularization method with the imaging model is implemented for CB-XLCT reconstruction. Numerical simulations and phantom experiments indicate that compared with the traditional forward model based on x-ray intensity, the proposed dose-based model could improve the image quality of CB-XLCT significantly in terms of target shape, localization accuracy, and image contrast. In addition, the proposed model behaves better in distinguishing closer targets, demonstrating its advantage in improving spatial resolution. (2018) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Primordial binary populations in low-density star clusters as seen by Chandra: globular clusters versus old open clusters

NASA Astrophysics Data System (ADS)

van den Berg, Maureen C.

2015-08-01

The binaries in the core of a star cluster are the energy source that prevents the cluster from experiencing core collapse. To model the dynamical evolution of a cluster, it is important to have constraints on the primordial binary content. X-ray observations of old star clusters are very efficient in detecting the close interacting binaries among the cluster members. The X-ray sources in star clusters are a mix of binaries that were dynamically formed and primordial binaries. In massive, dense star clusters, dynamical encounters play an important role in shaping the properties and numbers of the binaries. In contrast, in the low-density clusters the impact of dynamical encounters is presumed to be very small, and the close binaries detected in X-rays represent a primordial population. The lowest density globular clusters have current masses and central densities similar to those of the oldest open clusters in our Milky Way. I will discuss the results of studies with the Chandra X-ray Observatory that have nevertheless revealed a clear dichotomy: far fewer (if any at all) X-ray sources are detected in the central regions of the low-density globular clusters compared to the number of secure cluster members that have been detected in old open clusters (above a limiting X-ray luminosity of typically 4e30 erg/s). The low stellar encounter rates imply that dynamical destruction of binaries can be ignored at present, therefore an explanation must be sought elsewhere. I will discuss several factors that can shed light on the implied differences between the primordial close binary populations in the two types of star clusters.

X-ray structure investigation of some substituted indoles, and the x-ray crystal of 1,1'-bishomocubane

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

Quarles, William G.

1970-05-01

The crystal structures of 5-methoxytryptamine, melatonin, and the p-bromobenzoate of 1,1'-bishomocubane have been solved by x-ray diffraction methods. A computer program for the trial and error solution of crystal structures is also described here.

Ultrafast table-top dynamic radiography of spontaneous or stimulated events

DOEpatents

Smilowitz, Laura; Henson, Bryan

2018-01-16

Disclosed herein are representative embodiments of methods, apparatus, and systems for performing radiography. For example, certain embodiments concern X-ray radiography of spontaneous events. Particular embodiments of the disclosed technology provide continuous high-speed x-ray imaging of spontaneous dynamic events, such as explosions, reaction-front propagation, and even material failure. Further, in certain embodiments, x-ray activation and data collection activation are triggered by the object itself that is under observation (e.g., triggered by a change of state detected by one or more sensors monitoring the object itself).

Simulating Picosecond X-ray Diffraction from shocked crystals by Post-processing Molecular Dynamics Calculations

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

Kimminau, G; Nagler, B; Higginbotham, A

2008-06-19

Calculations of the x-ray diffraction patterns from shocked crystals derived from the results of Non-Equilibrium-Molecular-Dynamics (NEMD) simulations are presented. The atomic coordinates predicted by the NEMD simulations combined with atomic form factors are used to generate a discrete distribution of electron density. A Fast-Fourier-Transform (FFT) of this distribution provides an image of the crystal in reciprocal space, which can be further processed to produce quantitative simulated data for direct comparison with experiments that employ picosecond x-ray diffraction from laser-irradiated crystalline targets.

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

Shin, Jaejin; Woo, Jong-Hak; Mulchaey, John S.

We perform a comprehensive study of X-ray cavities using a large sample of X-ray targets selected from the Chandra archive. The sample is selected to cover a large dynamic range including galaxy clusters, groups, and individual galaxies. Using β -modeling and unsharp masking techniques, we investigate the presence of X-ray cavities for 133 targets that have sufficient X-ray photons for analysis. We detect 148 X-ray cavities from 69 targets and measure their properties, including cavity size, angle, and distance from the center of the diffuse X-ray gas. We confirm the strong correlation between cavity size and distance from the X-raymore » center similar to previous studies. We find that the detection rates of X-ray cavities are similar among galaxy clusters, groups and individual galaxies, suggesting that the formation mechanism of X-ray cavities is independent of environment.« less

The static structure and dynamics of cadmium sulfide nanoparticles within poly(styrene- block-isoprene) diblock copolymer melts

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

Jang, Woo -Sik; Koo, Peter; Bryson, Kyle

Here, the static structure and dynamic behavior of cadmium sulfide nanoparticles suspended in block copolymer matrix are investigated using transmission electron microscopy, small-angle X-ray scattering, and X-ray photon correlation spectroscopy. The transmission electron micro- scopy study shows that cadmium sulfide nanoparticles are preferentially segregated within the polyisoprene domain of a poly(styrene- block-isoprene) diblock copolymer. For the dynamics study, X-ray photon correlation spectroscopy captures the relaxation process of cadmium sulfide nanoparticles. The measured characteristic relaxation time reveals that the observed dynamics are hyperdiffusive. The characteristic velocity and corresponding activation energy, which are hallmarks of a hyperdiffusive system, are determined from themore » relationship between the characteristic relaxation time and the wavevector.« less

The static structure and dynamics of cadmium sulfide nanoparticles within poly(styrene- block-isoprene) diblock copolymer melts

DOE PAGES

Jang, Woo -Sik; Koo, Peter; Bryson, Kyle; ...

2015-12-20

Here, the static structure and dynamic behavior of cadmium sulfide nanoparticles suspended in block copolymer matrix are investigated using transmission electron microscopy, small-angle X-ray scattering, and X-ray photon correlation spectroscopy. The transmission electron micro- scopy study shows that cadmium sulfide nanoparticles are preferentially segregated within the polyisoprene domain of a poly(styrene- block-isoprene) diblock copolymer. For the dynamics study, X-ray photon correlation spectroscopy captures the relaxation process of cadmium sulfide nanoparticles. The measured characteristic relaxation time reveals that the observed dynamics are hyperdiffusive. The characteristic velocity and corresponding activation energy, which are hallmarks of a hyperdiffusive system, are determined from themore » relationship between the characteristic relaxation time and the wavevector.« less

Analyzing the effect of slotted foil on radiation pulse profile in a mode locked afterburner X-ray free electron laser

NASA Astrophysics Data System (ADS)

Kumar, Sandeep; Hur, Min Sup; Chung, Moses

2017-06-01

Extremely short X-ray pulses in the attosecond (as) range are important tools for ultrafast dynamics, high resolution microscopy, and nuclear dynamics study. In this paper, we numerically examine the generation of gigawatt (GW) mode-locked (ML) multichromatic X-rays using the parameters of the Pohang Accelerator Laboratory (PAL)-X-ray free electron laser (XFEL), the Korean XFEL. In this vein, we analyze the ML-FEL [Thompson and McNeil, Phys. Rev. Lett. 100, 203901 (2008)] and mode-locked afterburner (MLAB) FEL [Dunning et al., Phys. Rev. Lett. 110, 104801 (2013)] schemes on the hard X-ray beamline of the PAL-XFEL. Using the ML scheme, we numerically demonstrate a train of radiation pulses in the hard X-ray (photon energy ˜12.4 keV) with 3.5 GW power and 16 as full-width half maximum (FWHM) pulse duration. On the other hand, using the MLAB scheme, a train of radiation pulses with 3 GW power and 1 as FWHM (900 zs in RMS) pulse duration has been obtained at 12.4 keV photon energy. Both schemes generate broadband, discrete, and coherent spectrum compared to the XFEL's narrowband spectrum. Furthermore, the effect of slotted foil is also studied first time on the MLAB-FEL output. Numerical comparisons show that the temporal structure of the MLAB-FEL output can be improved significantly by the use of the slotted foil. Such short X-ray pulses at XFEL facilities will allow the studies of electron-nuclear and nuclear dynamics in atoms or molecules, and the broadband radiation will substantially improve the efficiency of the experimental techniques such as X-ray crystallography and spectroscopy, paving the way for outstanding progress in biology and material science.

«

11

12

13

14

15

»

«

12

13

14

15

16

»

Development of a simulation method for dynamics of electrons ejected from DNA molecules irradiated with X-rays.

PubMed

Kai, Takeshi; Higuchi, Mariko; Fujii, Kentaro; Watanabe, Ritsuko; Yokoya, Akinari

2012-12-01

To develop a method for simulating the dynamics of the photoelectrons and Auger electrons ejected from DNA molecules irradiated with pulsed monochromatic X-rays. A 30-base-pair (bp) DNA molecule was used as the target model, and the X-rays were assumed to have a Gaussian-shaped time distribution. Photoionization and Auger decay were considered as the atomic processes. The atoms from which the photoelectrons or Auger electrons were emitted were specified in the DNA molecule (or DNA ion) using the Monte Carlo method, and the trajectory of each electron in the electric field formed around the positively charged DNA molecule was calculated with a Newtonian equation. The kinetics of the electrons produced by irradiation with X-rays at an intensity ranging from 1 × 10(12) to 1 × 10(16) photons/mm(2) and energies of 380 eV (below the carbon K-edge), 435 eV (above the nitrogen K-edge), and 560 eV (above the oxygen K-edge) were evaluated. It was found that at an X-ray intensity of 1 × 10(14) photons/mm(2) or less, all the produced electrons escaped from the target. However, above an X-ray intensity of 1 × 10(15) photons/mm(2) and an energy of 560 eV, some photoelectrons that were ejected from the oxygen atoms were trapped near the target DNA. A simulation method for studying the trajectories of electrons ejected from a 30-bp DNA molecule irradiated with pulsed monochromatic X-rays has been developed. The present results show that electron dynamics are strongly dependent on the charged density induced in DNA by pulsed X-ray irradiation.

Cadaveric and in vivo human joint imaging based on differential phase contrast by X-ray Talbot-Lau interferometry.

PubMed

Tanaka, Junji; Nagashima, Masabumi; Kido, Kazuhiro; Hoshino, Yoshihide; Kiyohara, Junko; Makifuchi, Chiho; Nishino, Satoshi; Nagatsuka, Sumiya; Momose, Atsushi

2013-09-01

We developed an X-ray phase imaging system based on Talbot-Lau interferometry and studied its feasibility for clinical diagnoses of joint diseases. The system consists of three X-ray gratings, a conventional X-ray tube, an object holder, an X-ray image sensor, and a computer for image processing. The joints of human cadavers and healthy volunteers were imaged, and the results indicated sufficient sensitivity to cartilage, suggesting medical significance. Copyright © 2012. Published by Elsevier GmbH.

Towards shot-noise limited diffraction experiments with table-top femtosecond hard x-ray sources.

PubMed

Holtz, Marcel; Hauf, Christoph; Weisshaupt, Jannick; Salvador, Antonio-Andres Hernandez; Woerner, Michael; Elsaesser, Thomas

2017-09-01

Table-top laser-driven hard x-ray sources with kilohertz repetition rates are an attractive alternative to large-scale accelerator-based systems and have found widespread applications in x-ray studies of ultrafast structural dynamics. Hard x-ray pulses of 100 fs duration have been generated at the Cu K α wavelength with a photon flux of up to 10 9 photons per pulse into the full solid angle, perfectly synchronized to the sub-100-fs optical pulses from the driving laser system. Based on spontaneous x-ray emission, such sources display a particular noise behavior which impacts the sensitivity of x-ray diffraction experiments. We present a detailed analysis of the photon statistics and temporal fluctuations of the x-ray flux, together with experimental strategies to optimize the sensitivity of optical pump/x-ray probe experiments. We demonstrate measurements close to the shot-noise limit of the x-ray source.

Towards shot-noise limited diffraction experiments with table-top femtosecond hard x-ray sources

PubMed Central

Holtz, Marcel; Hauf, Christoph; Weisshaupt, Jannick; Salvador, Antonio-Andres Hernandez; Woerner, Michael; Elsaesser, Thomas

2017-01-01

Table-top laser-driven hard x-ray sources with kilohertz repetition rates are an attractive alternative to large-scale accelerator-based systems and have found widespread applications in x-ray studies of ultrafast structural dynamics. Hard x-ray pulses of 100 fs duration have been generated at the Cu Kα wavelength with a photon flux of up to 109 photons per pulse into the full solid angle, perfectly synchronized to the sub-100-fs optical pulses from the driving laser system. Based on spontaneous x-ray emission, such sources display a particular noise behavior which impacts the sensitivity of x-ray diffraction experiments. We present a detailed analysis of the photon statistics and temporal fluctuations of the x-ray flux, together with experimental strategies to optimize the sensitivity of optical pump/x-ray probe experiments. We demonstrate measurements close to the shot-noise limit of the x-ray source. PMID:28795079

XDesign: an open-source software package for designing X-ray imaging phantoms and experiments.

PubMed

Ching, Daniel J; Gürsoy, Dogˇa

2017-03-01

The development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

XDesign: An open-source software package for designing X-ray imaging phantoms and experiments

DOE PAGES

Ching, Daniel J.; Gursoy, Dogˇa

2017-02-21

Here, the development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

Hafnium-Based Contrast Agents for X-ray Computed Tomography.

PubMed

Berger, Markus; Bauser, Marcus; Frenzel, Thomas; Hilger, Christoph Stephan; Jost, Gregor; Lauria, Silvia; Morgenstern, Bernd; Neis, Christian; Pietsch, Hubertus; Sülzle, Detlev; Hegetschweiler, Kaspar

2017-05-15

Heavy-metal-based contrast agents (CAs) offer enhanced X-ray absorption for X-ray computed tomography (CT) compared to the currently used iodinated CAs. We report the discovery of new lanthanide and hafnium azainositol complexes and their optimization with respect to high water solubility and stability. Our efforts culminated in the synthesis of BAY-576, an uncharged hafnium complex with 3:2 stoichiometry and broken complex symmetry. The superior properties of this asymmetrically substituted hafnium CA were demonstrated by a CT angiography study in rabbits that revealed excellent signal contrast enhancement.

Sinogram-based adaptive iterative reconstruction for sparse view x-ray computed tomography

NASA Astrophysics Data System (ADS)

Trinca, D.; Zhong, Y.; Wang, Y.-Z.; Mamyrbayev, T.; Libin, E.

2016-10-01

With the availability of more powerful computing processors, iterative reconstruction algorithms have recently been successfully implemented as an approach to achieving significant dose reduction in X-ray CT. In this paper, we propose an adaptive iterative reconstruction algorithm for X-ray CT, that is shown to provide results comparable to those obtained by proprietary algorithms, both in terms of reconstruction accuracy and execution time. The proposed algorithm is thus provided for free to the scientific community, for regular use, and for possible further optimization.

High-resolution 3D imaging of polymerized photonic crystals by lab-based x-ray nanotomography with 50-nm resolution

NASA Astrophysics Data System (ADS)

Yin, Leilei; Chen, Ying-Chieh; Gelb, Jeff; Stevenson, Darren M.; Braun, Paul A.

2010-09-01

High resolution x-ray computed tomography is a powerful non-destructive 3-D imaging method. It can offer superior resolution on objects that are opaque or low contrast for optical microscopy. Synchrotron based x-ray computed tomography systems have been available for scientific research, but remain difficult to access for broader users. This work introduces a lab-based high-resolution x-ray nanotomography system with 50nm resolution in absorption and Zernike phase contrast modes. Using this system, we have demonstrated high quality 3-D images of polymerized photonic crystals which have been analyzed for band gap structures. The isotropic volumetric data shows excellent consistency with other characterization results.

Wavefront aberrations of x-ray dynamical diffraction beams.

PubMed

Liao, Keliang; Hong, Youli; Sheng, Weifan

2014-10-01

The effects of dynamical diffraction in x-ray diffractive optics with large numerical aperture render the wavefront aberrations difficult to describe using the aberration polynomials, yet knowledge of them plays an important role in a vast variety of scientific problems ranging from optical testing to adaptive optics. Although the diffraction theory of optical aberrations was established decades ago, its application in the area of x-ray dynamical diffraction theory (DDT) is still lacking. Here, we conduct a theoretical study on the aberration properties of x-ray dynamical diffraction beams. By treating the modulus of the complex envelope as the amplitude weight function in the orthogonalization procedure, we generalize the nonrecursive matrix method for the determination of orthonormal aberration polynomials, wherein Zernike DDT and Legendre DDT polynomials are proposed. As an example, we investigate the aberration evolution inside a tilted multilayer Laue lens. The corresponding Legendre DDT polynomials are obtained numerically, which represent balanced aberrations yielding minimum variance of the classical aberrations of an anamorphic optical system. The balancing of classical aberrations and their standard deviations are discussed. We also present the Strehl ratio of the primary and secondary balanced aberrations.

Shift focal spot X-ray tube to the imposition anode under long exposure

NASA Astrophysics Data System (ADS)

Obodovskiy, A. V.; Bessonov, V. B.; Larionov, I. A.

2018-02-01

X-ray non-destructive testing is an integral part of any modern industrial production. Microfocus X-ray sources make it possible to obtain projected images with an increased spatial resolution by using a direct geometric magnification during the survey. On the basis of the St. Petersburg State Electrotechnical University staff of the department of electronic devices and equipment has been designed model of microfocus X-ray computed tomography.

Changes in flexibility upon binding: Application of the self-consistent pair contact probability method to protein-protein interactions

NASA Astrophysics Data System (ADS)

Canino, Lawrence S.; Shen, Tongye; McCammon, J. Andrew

2002-12-01

We extend the self-consistent pair contact probability method to the evaluation of the partition function for a protein complex at thermodynamic equilibrium. Specifically, we adapt the method for multichain models and introduce a parametrization for amino acid-specific pairwise interactions. This method is similar to the Gaussian network model but allows for the adjusting of the strengths of native state contacts. The method is first validated on a high resolution x-ray crystal structure of bovine Pancreatic Phospholipase A2 by comparing calculated B-factors with reported values. We then examine binding-induced changes in flexibility in protein-protein complexes, comparing computed results with those obtained from x-ray crystal structures and molecular dynamics simulations. In particular, we focus on the mouse acetylcholinesterase:fasciculin II and the human α-thrombin:thrombomodulin complexes.

Structure, Elastic Constants and XRD Spectra of Extended Solids under High Pressure

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

Batyrev, I. G.; Coleman, S. P.; Ciezak-Jenkins, J. A.

We present results of evolutionary simulations based on density functional calculations of a potentially new type of energetic materials called extended solids: P-N and N-H. High-density structures with covalent bonds generated using variable and fixed concentration methods were analysed in terms of thermo-dynamical stability and agreement with experimental X-ray diffraction (XRD) spectra. X-ray diffraction spectra were calculated using a virtual diffraction algorithm that computes kinematic diffraction intensity in three-dimensional reciprocal space before being reduced to a two-theta line profile. Calculated XRD patterns were used to search for the structure of extended solids present at experimental pressures by optimizing data accordingmore » to experimental XRD peak position, peak intensity and theoretically calculated enthalpy. Elastic constants has been calculated for thermodynamically stable structures of P-N system.« less

Synthesis of a zinc(II) complex with hexadentate N4S2 donor thioether ligand: X-ray structure, DNA binding study and DFT computation

NASA Astrophysics Data System (ADS)

Mondal, Apurba Sau; Jana, Mahendra Sekhar; Manna, Chandan Kumar; Naskar, Rahul; Mondal, Tapan Kumar

2018-07-01

A new zinc(II) complex, [Zn(L)](ClO4) with hexadentate N4S2 donor azo-thioether ligand (HL) was synthesized and characterized by several spectroscopic techniques. The structure was confirmed by single crystal X-ray analysis. The interaction of the complex with CT DNA was investigated by UV-vis method and binding constant is found to be 6.6 × 104 M-1. Competitive binding titration with ethidium bromide (EB) by fluorescence titration method reveals that the complex efficiently displaces EB from EB-DNA system and the Stern-Volmer dynamic quenching constant, Ksv is found to be 2.6 × 104 M-1. DFT and TDDFT calculations were carried out to interpret the electronic structure and electronic spectra of the complex.

National Synchrotron Light Source annual report 1991. Volume 1, October 1, 1990--September 30, 1991

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

Hulbert, S.L.; Lazarz, N.M.

1992-04-01

This report discusses the following research conducted at NSLS: atomic and molecular science; energy dispersive diffraction; lithography, microscopy and tomography; nuclear physics; UV photoemission and surface science; x-ray absorption spectroscopy; x-ray scattering and crystallography; x-ray topography; workshop on surface structure; workshop on electronic and chemical phenomena at surfaces; workshop on imaging; UV FEL machine reviews; VUV machine operations; VUV beamline operations; VUV storage ring parameters; x-ray machine operations; x-ray beamline operations; x-ray storage ring parameters; superconducting x-ray lithography source; SXLS storage ring parameters; the accelerator test facility; proposed UV-FEL user facility at the NSLS; global orbit feedback systems; and NSLSmore » computer system.« less

A framework for stochastic simulations and visualization of biological electron-transfer dynamics

NASA Astrophysics Data System (ADS)

Nakano, C. Masato; Byun, Hye Suk; Ma, Heng; Wei, Tao; El-Naggar, Mohamed Y.

2015-08-01

Electron transfer (ET) dictates a wide variety of energy-conversion processes in biological systems. Visualizing ET dynamics could provide key insight into understanding and possibly controlling these processes. We present a computational framework named VizBET to visualize biological ET dynamics, using an outer-membrane Mtr-Omc cytochrome complex in Shewanella oneidensis MR-1 as an example. Starting from X-ray crystal structures of the constituent cytochromes, molecular dynamics simulations are combined with homology modeling, protein docking, and binding free energy computations to sample the configuration of the complex as well as the change of the free energy associated with ET. This information, along with quantum-mechanical calculations of the electronic coupling, provides inputs to kinetic Monte Carlo (KMC) simulations of ET dynamics in a network of heme groups within the complex. Visualization of the KMC simulation results has been implemented as a plugin to the Visual Molecular Dynamics (VMD) software. VizBET has been used to reveal the nature of ET dynamics associated with novel nonequilibrium phase transitions in a candidate configuration of the Mtr-Omc complex due to electron-electron interactions.

The dynamic micro computed tomography at SSRF

NASA Astrophysics Data System (ADS)

Chen, R.; Xu, L.; Du, G.; Deng, B.; Xie, H.; Xiao, T.

2018-05-01

Synchrotron radiation micro-computed tomography (SR-μCT) is a critical technique for quantitative characterizing the 3D internal structure of samples, recently the dynamic SR-μCT has been attracting vast attention since it can evaluate the three-dimensional structure evolution of a sample. A dynamic μCT method, which is based on monochromatic beam, was developed at the X-ray Imaging and Biomedical Application Beamline at Shanghai Synchrotron Radiation Facility, by combining the compressed sensing based CT reconstruction algorithm and hardware upgrade. The monochromatic beam based method can achieve quantitative information, and lower dose than the white beam base method in which the lower energy beam is absorbed by the sample rather than contribute to the final imaging signal. The developed method is successfully used to investigate the compression of the air sac during respiration in a bell cricket, providing new knowledge for further research on the insect respiratory system.

Conformational Isomerism of trans-[Pt(NH2C6H11)2I2] and the Classical Wernerian Chemistry of [Pt(NH2C6H11)4]X2 (X = Cl, Br, I)1

PubMed Central

Johnstone, Timothy C.; Lippard, Stephen J.

2012-01-01

X-ray crystallographic analysis of the compound trans-[Pt(NH2C6H11)2I2] revealed the presence of two distinct conformers within one crystal lattice. This compound was studied by variable temperature NMR spectroscopy to investigate the dynamic interconversion between these isomers. The results of this investigation were interpreted using physical (CPK) and computational (molecular mechanics and density functional theory) models. The conversion of the salts [Pt(NH2C6H11)4]X2 into trans-[Pt(NH2C6H11)2X2] (X = Cl, Br, I) was also studied and is discussed here with an emphasis on parallels to the work of Alfred Werner. PMID:23554544

Energy-discrimination x-ray computed tomography system utilizing a scanning cadmium-telluride detector

NASA Astrophysics Data System (ADS)

Sato, Eiichi; Abduraxit, Ablajan; Enomoto, Toshiyuki; Watanabe, Manabu; Hitomi, Keitaro; Takahashi, Kiyomi; Sato, Shigehiro; Ogawa, Akira; Onagawa, Jun

2010-04-01

An energy-discrimination K-edge x-ray computed tomography (CT) system is useful for controlling the image contrast of a target region by selecting both the photon energy and the energy width. The CT system has an oscillation-type linear cadmium telluride (CdTe) detectror. CT is performed by repeated linear scans and rotations of an object. Penetrating x-ray photons from the object are detected by a CdTe detector, and event signals of x-ray photons are produced using charge-sensitive and shaping amplifiers. Both photon energy and energy width are selected out using a multichannel analyzer, and the number of photons is counted by a counter card. In energy-discrimination CT, the tube voltage and tube current were 80 kV and 20 μA, respectively, and the x-ray intensity was 1.92 μGy/s at a distance of 1.0 m from the source and a tube voltage of 80 kV. The energy-discrimination CT was carried out by selecting x-ray photon energies.

How often are x-rays used as diagnostic tool by healthcare providers in the Mazovian province of Poland.

PubMed

Bekas, Marcin; Gajewski, Antoni K; Pachocki, Krzysztof

2013-01-01

Within the medical facilities provided by state healthcare services, a universally applied technique for patient diagnosis and treatment relies on ionising radiation; for example in radiotherapy and X-ray (ie. examination). Human exposure to such radiation is not however entirely free of associated health risks. To determine and estimate the numbers and types of X-ray based medical procedures that are performed in general and dental radiography, mammography and computer tomography on patients from the Mazovian province in Poland, which included children, women and men subjects. The numbers of patient subjects undergoing X-rays was estimated by surveying the patient intake in X-ray testing rooms within the healthcare facilities of the Mazovian province. Questionnaires were either dispatched by mail to such healthcare centres or were completed by the X-ray operating staff during the testing of quality control. Results so obtained from the latter, were compared to entries from the X-ray rooms' register During 2009, the number of X-rays performed were 7612046 equivalent to 1460 examinations per 1000 inhabitants. The majority were done on women ie. 3847961 (50.55%), followed by 3193781 (41.96%) on men and 570 304 (7.49%) for children. Results indicated that the predominating medical procedure used of this type, was for making general diagnoses; especially through using chest radiography. Others included, in descending order; dental X-ray (mainly intra-oral examination), computer tomography (mainly CT head examinations) and mammography procedures. It was also found that the annual numbers of having X-rays has increased compared to previous years.

«

12

13

14

15

16

»

«

13

14

15

16

17

»

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

Determination of the atmospheric structure of the BO star companion of SMC X-1 by analysis of Ginga observations

NASA Technical Reports Server (NTRS)

Clark, George W.

1994-01-01

The x-ray phenomena of the binary system SMC X-1/Sk 160, observed with the Ginga and ROSAT x-ray observatories, are compared with computed phenomena derived from a three dimensional hydrodynamical model of the stellar wind perturbed by x-ray heating and ionization which is described in the accompanying paper. In the model the BOI primary star has a line-driven stellar wind in the region of the x-ray shadow and a thermal wind in the region heated by x-rays. We find general agreement between the observed and predicted x-ray spectra throughout the binary orbit cycle, including the extended, variable, and asymmetric eclipse transitions and the period of deep eclipse.

21 CFR 892.1750 - Computed tomography x-ray system.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Computed tomography x-ray system. 892.1750 Section 892.1750 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... same axial plane taken at different angles. This generic type of device may include signal analysis and...

21 CFR 892.1750 - Computed tomography x-ray system.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Computed tomography x-ray system. 892.1750 Section 892.1750 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... same axial plane taken at different angles. This generic type of device may include signal analysis and...

21 CFR 892.1750 - Computed tomography x-ray system.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Computed tomography x-ray system. 892.1750 Section 892.1750 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... same axial plane taken at different angles. This generic type of device may include signal analysis and...

21 CFR 892.1750 - Computed tomography x-ray system.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Computed tomography x-ray system. 892.1750 Section 892.1750 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... same axial plane taken at different angles. This generic type of device may include signal analysis and...

21 CFR 892.1750 - Computed tomography x-ray system.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Computed tomography x-ray system. 892.1750 Section 892.1750 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES... same axial plane taken at different angles. This generic type of device may include signal analysis and...

Integrated experimental and theoretical approach for the structural characterization of Hg2+ aqueous solutions

NASA Astrophysics Data System (ADS)

D'Angelo, Paola; Migliorati, Valentina; Mancini, Giordano; Barone, Vincenzo; Chillemi, Giovanni

2008-02-01

The structural and dynamic properties of the solvated Hg2+ ion in aqueous solution have been investigated by a combined experimental-theoretical approach employing x-ray absorption spectroscopy and molecular dynamics (MD) simulations. This method allows one to perform a quantitative analysis of the x-ray absorption near-edge structure (XANES) spectra of ionic solutions using a proper description of the thermal and structural fluctuations. XANES spectra have been computed starting from the MD trajectory, without carrying out any minimization in the structural parameter space. The XANES experimental data are accurately reproduced by a first-shell heptacoordinated cluster only if the second hydration shell is included in the calculations. These results confirm at the same time the existence of a sevenfold first hydration shell for the Hg2+ ion in aqueous solution and the reliability of the potentials used in the MD simulations. The combination of MD and XANES is found to be very helpful to get important new insights into the quantitative estimation of structural properties of disordered systems.

X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition.

PubMed

Baczewski, A D; Shulenburger, L; Desjarlais, M P; Hansen, S B; Magyar, R J

2016-03-18

X-ray Thomson scattering is an important experimental technique used to measure the temperature, ionization state, structure, and density of warm dense matter (WDM). The fundamental property probed in these experiments is the electronic dynamic structure factor. In most models, this is decomposed into three terms [J. Chihara, J. Phys. F 17, 295 (1987)] representing the response of tightly bound, loosely bound, and free electrons. Accompanying this decomposition is the classification of electrons as either bound or free, which is useful for gapped and cold systems but becomes increasingly questionable as temperatures and pressures increase into the WDM regime. In this work we provide unambiguous first principles calculations of the dynamic structure factor of warm dense beryllium, independent of the Chihara form, by treating bound and free states under a single formalism. The computational approach is real-time finite-temperature time-dependent density functional theory (TDDFT) being applied here for the first time to WDM. We compare results from TDDFT to Chihara-based calculations for experimentally relevant conditions in shock-compressed beryllium.

X-ray luminescence computed tomography imaging based on X-ray distribution model and adaptively split Bregman method

PubMed Central

Chen, Dongmei; Zhu, Shouping; Cao, Xu; Zhao, Fengjun; Liang, Jimin

2015-01-01

X-ray luminescence computed tomography (XLCT) has become a promising imaging technology for biological application based on phosphor nanoparticles. There are mainly three kinds of XLCT imaging systems: pencil beam XLCT, narrow beam XLCT and cone beam XLCT. Narrow beam XLCT can be regarded as a balance between the pencil beam mode and the cone-beam mode in terms of imaging efficiency and image quality. The collimated X-ray beams are assumed to be parallel ones in the traditional narrow beam XLCT. However, we observe that the cone beam X-rays are collimated into X-ray beams with fan-shaped broadening instead of parallel ones in our prototype narrow beam XLCT. Hence we incorporate the distribution of the X-ray beams in the physical model and collected the optical data from only two perpendicular directions to further speed up the scanning time. Meanwhile we propose a depth related adaptive regularized split Bregman (DARSB) method in reconstruction. The simulation experiments show that the proposed physical model and method can achieve better results in the location error, dice coefficient, mean square error and the intensity error than the traditional split Bregman method and validate the feasibility of method. The phantom experiment can obtain the location error less than 1.1 mm and validate that the incorporation of fan-shaped X-ray beams in our model can achieve better results than the parallel X-rays. PMID:26203388

Determination of the mass of globular cluster X-ray sources

NASA Technical Reports Server (NTRS)

Grindlay, J. E.; Hertz, P.; Steiner, J. E.; Murray, S. S.; Lightman, A. P.

1984-01-01

The precise positions of the luminous X-ray sources in eight globular clusters have been measured with the Einstein X-Ray Observatory. When combined with similarly precise measurements of the dynamical centers and core radii of the globular clusters, the distribution of the X-ray source mass is determined to be in the range 0.9-1.9 solar mass. The X-ray source positions and the detailed optical studies indicate that (1) the sources are probably all of similar mass, (2) the gravitational potentials in these high-central density clusters are relatively smooth and isothermal, and (3) the X-ray sources are compact binaries and are probably formed by tidal capture.

Ultra-Small-Angle X-ray Scattering – X-ray Photon Correlation Spectroscopy Studies of Incipient Structural Changes in Amorphous Calcium Phosphate Based Dental Composites

PubMed Central

Zhang, F.; Allen, A.J.; Levine, L.E.; Espinal, L.; Antonucci, J.M.; Skrtic, D.; O’Donnell, J.N.R.; Ilavsky, J.

2012-01-01

The local structural changes in amorphous calcium phosphate (ACP) based dental composites were studied under isothermal conditions using both static, bulk measurement techniques and a recently developed methodology based on combined ultra-small angle X-ray scattering – X-ray photon correlation spectroscopy (USAXS-XPCS), which permits a dynamic approach. While results from conventional bulk measurements do not show clear signs of structural change, USAXS-XPCS results reveal unambiguous evidence for local structural variations on a similar time scale to that of water loss in the ACP fillers. A thermal-expansion based simulation indicates that thermal behavior alone does not account for the observed dynamics. Together, these results suggest that changes in the water content of ACP affect the composite morphology due to changes in ACP structure that occur without an amorphous-to-crystalline conversion. It is also noted that biomedical materials research could benefit greatly from USAXS-XPCS, a dynamic approach. PMID:22374649

Galactic wind X-ray heating of the intergalactic medium during the Epoch of Reionization

NASA Astrophysics Data System (ADS)

Meiksin, Avery; Khochfar, Sadegh; Paardekooper, Jan-Pieter; Dalla Vecchia, Claudio; Kohn, Saul

2017-11-01

The diffuse soft X-ray emissivity from galactic winds is computed during the Epoch of Reionization (EoR). We consider two analytic models, a pressure-driven wind and a superbubble model, and a 3D cosmological simulation including gas dynamics from the First Billion Years (FiBY) project. The analytic models are normalized to match the diffuse X-ray emissivity of star-forming galaxies in the nearby Universe. The cosmological simulation uses physically motivated star formation and wind prescriptions, and includes radiative transfer corrections. The models and the simulation all are found to produce sufficient heating of the intergalactic medium to be detectable by current and planned radio facilities through 21 cm measurements during the EoR. While the analytic models predict a 21 cm emission signal relative to the cosmic microwave backgroundsets in by ztrans ≃ 8-10, the predicted signal in the FiBY simulation remains in absorption until reionization completes. The 21 cm absorption differential brightness temperature reaches a minimum of ΔT ≃ -130 to -200 mK, depending on model. Allowing for additional heat from high-mass X-ray binaries pushes the transition to emission to ztrans ≃ 10-12, with shallower absorption signatures having a minimum of ΔT ≃ -110 to -140 mK. The 21 cm signal may be a means of distinguishing between the wind models, with the superbubble model favouring earlier reheating. While an early transition to emission may indicate X-ray binaries dominate the reheating, a transition to emission as early as ztrans > 12 would suggest the presence of additional heat sources.

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.

Recent Advances in X-ray Cone-beam Computed Laminography.

PubMed

O'Brien, Neil S; Boardman, Richard P; Sinclair, Ian; Blumensath, Thomas

2016-10-06

X-ray computed tomography is an established volume imaging technique used routinely in medical diagnosis, industrial non-destructive testing, and a wide range of scientific fields. Traditionally, computed tomography uses scanning geometries with a single axis of rotation together with reconstruction algorithms specifically designed for this setup. Recently there has however been increasing interest in more complex scanning geometries. These include so called X-ray computed laminography systems capable of imaging specimens with large lateral dimensions or large aspect ratios, neither of which are well suited to conventional CT scanning procedures. Developments throughout this field have thus been rapid, including the introduction of novel system trajectories, the application and refinement of various reconstruction methods, and the use of recently developed computational hardware and software techniques to accelerate reconstruction times. Here we examine the advances made in the last several years and consider their impact on the state of the art.

Evaluation of size, morphology, concentration, and surface effect of gold nanoparticles on X-ray attenuation in computed tomography.

PubMed

Khademi, Sara; Sarkar, Saeed; Kharrazi, Sharmin; Amini, Seyed Mohammad; Shakeri-Zadeh, Ali; Ay, Mohammad Reza; Ghadiri, Hossein

2018-01-01

Increasing attention has been focused on the use of nanostructures as contrast enhancement agents in medical imaging, especially in computed tomography (CT). To date, gold nanoparticles (GNPs) have been demonstrated to have great potential as contrast agents for CT imaging. This study was designed to evaluate any effect on X-ray attenuation that might result from employing GNPs with a variety of shapes, sizes, surface chemistries, and concentrations. Gold nanorods (GNRs) and spherical GNPs were synthesized for this application. X-ray attenuation was quantified by Hounsfield unit (HU) in CT. Our findings indicated that smaller spherical GNPs (13 nm) had higher X-ray attenuation than larger ones (60 nm) and GNRs with larger aspect ratio exhibited great effect on X-ray attenuation. Moreover, poly ethylene glycol (PEG) coating on GNRs declined X-ray attenuation as a result of limiting the aggregation of GNRs. We observed X-ray attenuation increased when mass concentration of GNPs was elevated. Overall, smaller spherical GNPs can be suggested as a better alternative to Omnipaque, a good contrast agent for CT imaging. This data can be also considered for the application of gold nanostructures in radiation dose enhancement where nanoparticles with high X-ray attenuation are applied. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

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

PubMed

Boone, J M; Seibert, J A

1997-11-01

A tungsten anode spectral model using interpolating polynomials (TASMIP) was used to compute x-ray spectra at 1 keV intervals over the range from 30 kV to 140 kV. The TASMIP is not semi-empirical and uses no physical assumptions regarding x-ray production, but rather interpolates measured constant potential x-ray spectra published by Fewell et al. [Handbook of Computed Tomography X-ray Spectra (U.S. Government Printing Office, Washington, D.C., 1981)]. X-ray output measurements (mR/mAs measured at 1 m) were made on a calibrated constant potential generator in our laboratory from 50 kV to 124 kV, and with 0-5 mm added aluminum filtration. The Fewell spectra were slightly modified (numerically hardened) and normalized based on the attenuation and output characteristics of a constant potential generator and metal-insert x-ray tube in our laboratory. Then, using the modified Fewell spectra of different kVs, the photon fluence phi at each 1 keV energy bin (E) over energies from 10 keV to 140 keV was characterized using polynomial functions of the form phi (E) = a0[E] + a1[E] kV + a2[E] kV2 + ... + a(n)[E] kVn. A total of 131 polynomial functions were used to calculate accurate x-ray spectra, each function requiring between two and four terms. The resulting TASMIP algorithm produced x-ray spectra that match both the quality and quantity characteristics of the x-ray system in our laboratory. For photon fluences above 10% of the peak fluence in the spectrum, the average percent difference (and standard deviation) between the modified Fewell spectra and the TASMIP photon fluence was -1.43% (3.8%) for the 50 kV spectrum, -0.89% (1.37%) for the 70 kV spectrum, and for the 80, 90, 100, 110, 120, 130 and 140 kV spectra, the mean differences between spectra were all less than 0.20% and the standard deviations were less than approximately 1.1%. The model was also extended to include the effects of generator-induced kV ripple. Finally, the x-ray photon fluence in the units of photons/mm2 per mR was calculated as a function of HVL, kV, and ripple factor, for various (water-equivalent) patient thicknesses (0, 10, 20, and 30 cm). These values may be useful for computing the detective quantum efficiency, DQE(f), of x-ray detector systems. The TASMIP algorithm and ancillary data are made available on line at http:/(/)www.aip.org/epaps/epaps.html.

Non-LTE modeling for the National Ignition Facility (and beyond)

NASA Astrophysics Data System (ADS)

Scott, H. A.; Hammel, B. A.; Hansen, S. B.

2012-05-01

Considerable progress has been made in the last year in the study of laser-driven inertial confinement fusion at the National Ignition Facility (NIF). Experiments have demonstrated symmetric capsule implosions with plasma conditions approaching those required for ignition. Improvements in computational models - in large part due to advances in non-LTE modeling - have resulted in simulations that match experimental results quite well for the X-ray drive, implosion symmetry and total wall emission [1]. Non-LTE modeling is a key part of the NIF simulation effort, affecting several aspects of experimental design and diagnostics. The X-rays that drive the capsule arise from high-Z material ablated off the hohlraum wall. Current capsule designs avoid excessive preheat from high-energy X-rays by shielding the fuel with a mid-Z dopant, which affects the capsule dynamics. The dopant also mixes into the hot spot through hydrodynamic instabilities, providing diagnostic possibilities but potentially impacting the energy balance of the capsule [2]. Looking beyond the NIF, a proposed design for a fusion reactor chamber depends on lowdensity high-Z gas absorbing X-rays and particles to protect the first wall [3]. These situations encompass a large range of temperatures, densities and spatial scales. They each emphasize different aspects of atomic physics and present a variety of challenges for non-LTE modeling. We discuss the relevant issues and summarize the current state of the modeling effort for these applications.

Development of a High Dynamic Range Pixel Array Detector for Synchrotrons and XFELs

NASA Astrophysics Data System (ADS)

Weiss, Joel Todd

Advances in synchrotron radiation light source technology have opened new lines of inquiry in material science, biology, and everything in between. However, x-ray detector capabilities must advance in concert with light source technology to fully realize experimental possibilities. X-ray free electron lasers (XFELs) place particularly large demands on the capabilities of detectors, and developments towards diffraction-limited storage ring sources also necessitate detectors capable of measuring very high flux [1-3]. The detector described herein builds on the Mixed Mode Pixel Array Detector (MM-PAD) framework, developed previously by our group to perform high dynamic range imaging, and the Adaptive Gain Integrating Pixel Detector (AGIPD) developed for the European XFEL by a collaboration between Deustsches Elektronen-Synchrotron (DESY), the Paul-Scherrer-Institute (PSI), the University of Hamburg, and the University of Bonn, led by Heinz Graafsma [4, 5]. The feasibility of combining adaptive gain with charge removal techniques to increase dynamic range in XFEL experiments is assessed by simulating XFEL scatter with a pulsed infrared laser. The strategy is incorporated into pixel prototypes which are evaluated with direct current injection to simulate very high incident x-ray flux. A fully functional 16x16 pixel hybrid integrating x-ray detector featuring several different pixel architectures based on the prototypes was developed. This dissertation describes its operation and characterization. To extend dynamic range, charge is removed from the integration node of the front-end amplifier without interrupting integration. The number of times this process occurs is recorded by a digital counter in the pixel. The parameter limiting full well is thereby shifted from the size of an integration capacitor to the depth of a digital counter. The result is similar to that achieved by counting pixel array detectors, but the integrators presented here are designed to tolerate a sustained flux >1011 x-rays/pixel/second. In addition, digitization of residual analog signals allows sensitivity for single x-rays or low flux signals. Pixel high flux linearity is evaluated by direct exposure to an unattenuated synchrotron source x-ray beam and flux measurements of more than 1010 9.52 keV x-rays/pixel/s are made. Detector sensitivity to small signals is evaluated and dominant sources of error are identified. These new pixels boast multiple orders of magnitude improvement in maximum sustained flux over the MM-PAD, which is capable of measuring a sustained flux in excess of 108 x-rays/pixel/second while maintaining sensitivity to smaller signals, down to single x-rays.

Simultaneous CT and SPECT tomography using CZT detectors

DOEpatents

Paulus, Michael J.; Sari-Sarraf, Hamed; Simpson, Michael L.; Britton, Jr., Charles L.

2002-01-01

A method for simultaneous transmission x-ray computed tomography (CT) and single photon emission tomography (SPECT) comprises the steps of: injecting a subject with a tracer compound tagged with a .gamma.-ray emitting nuclide; directing an x-ray source toward the subject; rotating the x-ray source around the subject; emitting x-rays during the rotating step; rotating a cadmium zinc telluride (CZT) two-sided detector on an opposite side of the subject from the source; simultaneously detecting the position and energy of each pulsed x-ray and each emitted .gamma.-ray captured by the CZT detector; recording data for each position and each energy of each the captured x-ray and .gamma.-ray; and, creating CT and SPECT images from the recorded data. The transmitted energy levels of the x-rays lower are biased lower than energy levels of the .gamma.-rays. The x-ray source is operated in a continuous mode. The method can be implemented at ambient temperatures.

«

13

14

15

16

17

»

«

14

15

16

17

18

»

Integrated in-situ probes for structural and dynamic properties of geological materials at ultrahigh pressures and temperatures

NASA Astrophysics Data System (ADS)

Mao, H.; Mao, W. L.

2005-12-01

Multiple x-ray and allied probes have been recently developed and integrated with diamond-anvil cells at synchrotron facilities. They have effectively opened up the vast field area of the Earth's interior to direct, in-situ study. For instance, x-ray emission spectroscopy identifies the high-spin-low-spin transition that governs Fe-Mg partitioning, the most important factor in element differentiation in the mantle. Inelastic x-ray near-edge spectroscopy reveals the bonding nature of light elements that control the phase transitions, structure and partitioning of these elements (e.g., carbon bonding changes as an element, and in oxides, carbonates, and silicates). X-ray diffraction combined with laser-heated diamond anvil cell determines crystal structures and P-V-T equations of state. Shear moduli, single-crystal elasticity, and phonon dynamics can be measured to the core pressures with newly-enabled, complementary techniques, including radial x-ray diffraction, nuclear resonant inelastic x-ray scattering, non-resonant inelastic x-ray scattering, high-temperature Raman spectroscopy, and Brillouin scattering spectroscopy. The nonhydrostatic stress in solid samples which was previously regarded as a nuisance that degraded the experiments, can now be used for extracting important rheological information, including deformation mechanisms, preferred orientation, slip systems, plasticity, failure, and shear strength of major mantle and core minerals at high pressures. With the new arsenal of experimental techniques over the extended P-T-x regimes at we can now address questions that were not conceivable only a decade ago. Knowledge of the high P-T properties is leading to fundamental improvements in interpreting seismological observations and understanding the structure, dynamics, and evolution of the Earth's deep interior.

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

PubMed

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

2014-10-14

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

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

NASA Astrophysics Data System (ADS)

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

2014-10-01

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

Damage and fracture in fabric-reinforced composites under quasi-static and dynamic bending

NASA Astrophysics Data System (ADS)

Ullah, H.; Harland, A. R.; Silberschmidt, V. V.

2013-07-01

Fabric-reinforced polymer composites used in sports products can be exposed to different in-service conditions such as large deformations caused by quasi-static and dynamic loading. Composite materials subjected to such bending loads can demonstrate various damage modes - matrix cracking, delamination and, ultimately, fabric fracture. Damage evolution in composites affects both their in-service properties and performance that can deteriorate with time. Such behaviour needs adequate means of analysis and investigation, the main approaches being experimental characterisation and non-destructive examination of internal damage in composite laminates. This research deals with a deformation behaviour and damage in carbon fabric-reinforced polymer (CFRP) laminates caused by quasi-static and dynamic bending. Experimental tests were carried out to characterise the behaviour of a CFRP material under large-deflection bending, first in quasi-static and then in dynamic conditions. Izod-type impact bending tests were performed on un-notched specimens of CFRP using a Resil impactor to assess the transient response and energy absorbing capability of the material. X-ray micro computed tomography (micro-CT) was used to analyse various damage modes in the tested specimens. X-ray tomographs revealed that through-thickness matrix cracking, inter-ply and intra-ply delamination such as tow debonding, and fabric fracture were the prominent damage modes both in quasi-static and dynamic test specimens. However, the inter-ply damage was localised at impact location in dynamically tested specimens, whereas in the quasi-static specimens, it spread almost over the entire interface.

Unique X-ray emission characteristics from volumetrically heated nanowire array plasmas

NASA Astrophysics Data System (ADS)

Rocca, J. J.; Bargsten, C.; Hollinger, R.; Shlyaptsev, V.; Pukhov, A.; Kaymak, V.; Capeluto, G.; Keiss, D.; Townsend, A.; Rockwood, A.; Wang, Y.; Wang, S.

2015-11-01

Highly anisotropic emission of hard X-ray radiation (h ν >10 keV) is observed when arrays of ordered nanowires (50 nm diameter wires of Au or Ni) are volumetrically heated by normal incidence irradiation with high contrast 50-60 fs laser pulses of relativistic intensity. The annular emission is in contrast with angular distribution of softer X-rays (h ν >1 KeV) from these targets and with the X-ray radiation emitted by polished flat targets, both of which are nearly isotropic. Model computations that make use the electron energy distribution computed by particle-in-cell simulations show that the unexpected annular distribution of the hard x-rays is the result of bremsstrahlung from fast electrons. Volumetric heating of Au nanowire arrays irradiated with an intensity of 2 x 10 19 W cm-2 is measured to convert laser energy into h ν>1KeV photons with a record efficiency of >8 percent into 2 π, creating a bright picosecond X-ray source for applications. Work supported by the Office of Fusion Energy Science of the U.S Department of Energy, and the Defense Threat Reduction Agency. A.P was supported by DFG project TR18.

Internal dynamics of the radio-halo cluster A2219: A multi-wavelength analysis

NASA Astrophysics Data System (ADS)

Boschin, W.; Girardi, M.; Barrena, R.; Biviano, A.; Feretti, L.; Ramella, M.

2004-03-01

We present the results of the dynamical analysis of the rich, hot, and X-ray very luminous galaxy cluster A2219, containing a powerful diffuse radio-halo. Our analysis is based on new redshift data for 27 galaxies in the cluster region, measured from spectra obtained at the TNG, with the addition of other 105 galaxies recovered from reduction of CFHT archive data in a cluster region of ˜5 arcmin radius (˜ 0.8 h-1 Mpc ; at the cluster distance) centered on the cD galaxy. The investigation of the dynamical status is also performed using X-ray data stored in the Chandra archive. Further, valuable information comes from other bands - optical photometric, infrared, and radio data - which are analyzed and/or discussed, too. We find that A2219 appears as a peak in the velocity space at z=0.225, and select 113 cluster members. We compute a high value for the line-of-sight velocity dispersion, σv= 1438+109-86 km s-1, consistent with the high average X-ray temperature of 10.3 keV. If dynamical equilibrium is assumed, the virial theorem leads to M˜2.8× 1015 M⊙ ;sun for the global mass within the virial region. However, further investigation based on both optical and X-ray data shows significant signs of a young dynamical status. In fact, we find strong evidence for the elongation of the cluster in the SE-NW direction coupled with a significant velocity gradient, as well as for the presence of substructure both in optical data and X-ray data. Moreover, we point out the presence of several active galaxies. We discuss the results of our multi-wavelength investigation suggesting a complex merging scenario where the main, original structure is subject to an ongoing merger with a few clumps aligned in a filament in the foreground oriented in an oblique direction with respect to the line-of-sight. Our conclusion supports the view of the connection between extended radio emission and merging phenomena in galaxy clusters. Based on observations made on the island of La Palma with the Italian Telescopio Nazionale Galileo (TNG) operated by the Centro Galileo Galilei of the INAF (Istituto Nazionale di Astrofisica) and with the 1.0 m Jacobus Kapteyn Telescope (JKT) operated by the Isaac Newton Group at the Spanish Observatorio de Roque de los Muchachos of the Instituto de Astrofisica de Canarias. Table 1 is only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/416/839

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

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

Femtosecond time-resolved X-ray absorption spectroscopy of anatase TiO2 nanoparticles using XFEL

PubMed Central

Obara, Yuki; Ito, Hironori; Ito, Terumasa; Kurahashi, Naoya; Thürmer, Stephan; Tanaka, Hiroki; Katayama, Tetsuo; Togashi, Tadashi; Owada, Shigeki; Yamamoto, Yo-ichi; Karashima, Shutaro; Nishitani, Junichi; Yabashi, Makina; Suzuki, Toshinori; Misawa, Kazuhiko

2017-01-01

The charge-carrier dynamics of anatase TiO2 nanoparticles in an aqueous solution were studied by femtosecond time-resolved X-ray absorption spectroscopy using an X-ray free electron laser in combination with a synchronized ultraviolet femtosecond laser (268 nm). Using an arrival time monitor for the X-ray pulses, we obtained a temporal resolution of 170 fs. The transient X-ray absorption spectra revealed an ultrafast Ti K-edge shift and a subsequent growth of a pre-edge structure. The edge shift occurred in ca. 100 fs and is ascribed to reduction of Ti by localization of generated conduction band electrons into shallow traps of self-trapped polarons or deep traps at penta-coordinate Ti sites. Growth of the pre-edge feature and reduction of the above-edge peak intensity occur with similar time constants of 300–400 fs, which we assign to the structural distortion dynamics near the surface. PMID:28713842

X-ray and optical substructures of the DAFT/FADA survey clusters

NASA Astrophysics Data System (ADS)

Guennou, L.; Durret, F.; Adami, C.; Lima Neto, G. B.

2013-04-01

We have undertaken the DAFT/FADA survey with the double aim of setting constraints on dark energy based on weak lensing tomography and of obtaining homogeneous and high quality data for a sample of 91 massive clusters in the redshift range 0.4-0.9 for which there were HST archive data. We have analysed the XMM-Newton data available for 42 of these clusters to derive their X-ray temperatures and luminosities and search for substructures. Out of these, a spatial analysis was possible for 30 clusters, but only 23 had deep enough X-ray data for a really robust analysis. This study was coupled with a dynamical analysis for the 26 clusters having at least 30 spectroscopic galaxy redshifts in the cluster range. Altogether, the X-ray sample of 23 clusters and the optical sample of 26 clusters have 14 clusters in common. We present preliminary results on the coupled X-ray and dynamical analyses of these 14 clusters.

X-ray transmission microscope development

NASA Technical Reports Server (NTRS)

Kaukler, William F.; Rosenberger, Franz E.

1995-01-01

We are developing a hard x-ray microscope for direct observation of solidification dynamics in metal alloys and metal matrix composites. The Fein-Focus Inc. x-ray source was delivered in September and found to perform better than expected. Confirmed resolution of better than 2 micrometers was obtained and magnifications up to 800X were measured. Nickel beads of 30 micrometer diameter were easily detected through 6mm of aluminum. X-ray metallography was performed on several specimens showing high resolution and clear definition of 3-dimensional structures. Prototype furnace installed and tested.

Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation.

PubMed

Smith, Kyle K G; Poulsen, Jens Aage; Cunsolo, A; Rossky, Peter J

2014-01-21

The dynamic structure factor of liquid para-hydrogen and ortho-deuterium in corresponding thermodynamic states (T = 20.0 K, n = 21.24 nm(-3)) and (T = 23.0 K, n = 24.61 nm(-3)), respectively, has been computed by both the Feynman-Kleinert linearized path-integral (FK-LPI) and Ring-Polymer Molecular Dynamics (RPMD) methods and compared with Inelastic X Ray Scattering spectra. The combined use of computational and experimental methods enabled us to reduce experimental uncertainties in the determination of the true sample spectrum. Furthermore, the refined experimental spectrum of para-hydrogen and ortho-deuterium is consistently reproduced by both FK-LPI and RPMD results at momentum transfers lower than 12.8 nm(-1). At larger momentum transfers the FK-LPI results agree with experiment much better for ortho-deuterium than for para-hydrogen. More specifically we found that for k ∼ 20.0 nm(-1) para-hydrogen provides a test case for improved approximations to quantum dynamics.

Gas scintillation glass GEM detector for high-resolution X-ray imaging and CT

NASA Astrophysics Data System (ADS)

Fujiwara, T.; Mitsuya, Y.; Fushie, T.; Murata, K.; Kawamura, A.; Koishikawa, A.; Toyokawa, H.; Takahashi, H.

2017-04-01

A high-spatial-resolution X-ray-imaging gaseous detector has been developed with a single high-gas-gain glass gas electron multiplier (G-GEM), scintillation gas, and optical camera. High-resolution X-ray imaging of soft elements is performed with a spatial resolution of 281 μm rms and an effective area of 100×100 mm. In addition, high-resolution X-ray 3D computed tomography (CT) is successfully demonstrated with the gaseous detector. It shows high sensitivity to low-energy X-rays, which results in high-contrast radiographs of objects containing elements with low atomic numbers. In addition, the high yield of scintillation light enables fast X-ray imaging, which is an advantage for constructing CT images with low-energy X-rays.

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

ScienceCinema

Falcone, Roger [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Univ. of California, Berkeley, CA (United States). Dept. of Physics

2018-05-04

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

X-ray solution scattering combined with computation characterizing protein folds and multiple conformational states : computation and application.

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

Yang, S.; Park, S.; Makowski, L.

Small angle X-ray scattering (SAXS) is an increasingly powerful technique to characterize the structure of biomolecules in solution. We present a computational method for accurately and efficiently computing the solution scattering curve from a protein with dynamical fluctuations. The method is built upon a coarse-grained (CG) representation of the protein. This CG approach takes advantage of the low-resolution character of solution scattering. It allows rapid determination of the scattering pattern from conformations extracted from CG simulations to obtain scattering characterization of the protein conformational landscapes. Important elements incorporated in the method include an effective residue-based structure factor for each aminomore » acid, an explicit treatment of the hydration layer at the surface of the protein, and an ensemble average of scattering from all accessible conformations to account for macromolecular flexibility. The CG model is calibrated and illustrated to accurately reproduce the experimental scattering curve of Hen egg white lysozyme. We then illustrate the computational method by calculating the solution scattering pattern of several representative protein folds and multiple conformational states. The results suggest that solution scattering data, when combined with a reliable computational method, have great potential for a better structural description of multi-domain complexes in different functional states, and for recognizing structural folds when sequence similarity to a protein of known structure is low. Possible applications of the method are discussed.« less

The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes.

PubMed

Roper, Ian P E; Besley, Nicholas A

2016-03-21

The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.

Application of X-ray computed microtomography to soil craters formed by raindrop splash

NASA Astrophysics Data System (ADS)

Beczek, Michał; Ryżak, Magdalena; Lamorski, Krzysztof; Sochan, Agata; Mazur, Rafał; Bieganowski, Andrzej

2018-02-01

The creation of craters on the soil surface is part of splash erosion. Due to the small size of these craters, they are difficult to study. The main aim of this paper was to test X-ray computed microtomography to investigate craters formed by raindrop impacts. Measurements were made on soil samples moistened to three different levels corresponding with soil water potentials of 0.1, 3.16 and 16 kPa. Using images obtained by X-ray microtomography, geometric parameters of the craters were recorded and analysed. X-ray computed microtomography proved to be a useful and efficient tool for the investigation of craters formed on the soil surface after the impact of water drops. The parameters of the craters changed with the energy of the water drops and were dependent on the initial moisture content of the soil. Crater depth is more dependent on the increased energy of the water drop than crater diameter.

Multi-keV x-ray sources from metal-lined cylindrical hohlraums

NASA Astrophysics Data System (ADS)

Jacquet, L.; Girard, F.; Primout, M.; Villette, B.; Stemmler, Ph.

2012-08-01

As multi-keV x-ray sources, plastic hohlraums with inner walls coated with titanium, copper, and germanium have been fired on Omega in September 2009. For all the targets, the measured and calculated multi-keV x-ray power time histories are in a good qualitative agreement. In the same irradiation conditions, measured multi-keV x-ray conversion rates are ˜6%-8% for titanium, ˜2% for copper, and ˜0.5% for germanium. For titanium and copper hohlraums, the measured conversion rates are about two times higher than those given by hydroradiative computations. Conversely, for the germanium hohlraum, a rather good agreement is found between measured and computed conversion rates. To explain these findings, multi-keV integrated emissivities calculated with RADIOM [M. Busquet, Phys. Fluids 85, 4191 (1993)], the nonlocal-thermal-equilibrium atomic physics model used in our computations, have been compared to emissivities obtained from different other models. These comparisons provide an attractive way to explain the discrepancies between experimental and calculated quantitative results.

Note: A disposable x-ray camera based on mass produced complementary metal-oxide-semiconductor sensors and single-board computers

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

Hoidn, Oliver R.; Seidler, Gerald T., E-mail: seidler@uw.edu

We have integrated mass-produced commercial complementary metal-oxide-semiconductor (CMOS) image sensors and off-the-shelf single-board computers into an x-ray camera platform optimized for acquisition of x-ray spectra and radiographs at energies of 2–6 keV. The CMOS sensor and single-board computer are complemented by custom mounting and interface hardware that can be easily acquired from rapid prototyping services. For single-pixel detection events, i.e., events where the deposited energy from one photon is substantially localized in a single pixel, we establish ∼20% quantum efficiency at 2.6 keV with ∼190 eV resolution and a 100 kHz maximum detection rate. The detector platform’s useful intrinsic energymore » resolution, 5-μm pixel size, ease of use, and obvious potential for parallelization make it a promising candidate for many applications at synchrotron facilities, in laser-heating plasma physics studies, and in laboratory-based x-ray spectrometry.« less

«

14

15

16

17

18

»

«

15

16

17

18

19

»

Inverse transformation: unleashing spatially heterogeneous dynamics with an alternative approach to XPCS data analysis

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

Andrews, Ross N.; Narayanan, Suresh; Zhang, Fan

X-ray photon correlation spectroscopy (XPCS), an extension of dynamic light scattering (DLS) in the X-ray regime, detects temporal intensity fluctuations of coherent speckles and provides scattering-vector-dependent sample dynamics at length scales smaller than DLS. The penetrating power of X-rays enables XPCS to probe the dynamics in a broad array of materials, including polymers, glasses and metal alloys, where attempts to describe the dynamics with a simple exponential fit usually fail. In these cases, the prevailing XPCS data analysis approach employs stretched or compressed exponential decay functions (Kohlrausch functions), which implicitly assume homogeneous dynamics. This paper proposes an alternative analysis schememore » based upon inverse Laplace or Gaussian transformation for elucidating heterogeneous distributions of dynamic time scales in XPCS, an approach analogous to the CONTIN algorithm widely accepted in the analysis of DLS from polydisperse and multimodal systems. In conclusion, using XPCS data measured from colloidal gels, it is demonstrated that the inverse transform approach reveals hidden multimodal dynamics in materials, unleashing the full potential of XPCS.« less

Inverse transformation: unleashing spatially heterogeneous dynamics with an alternative approach to XPCS data analysis

DOE PAGES

Andrews, Ross N.; Narayanan, Suresh; Zhang, Fan; ...

2018-02-01

X-ray photon correlation spectroscopy (XPCS), an extension of dynamic light scattering (DLS) in the X-ray regime, detects temporal intensity fluctuations of coherent speckles and provides scattering-vector-dependent sample dynamics at length scales smaller than DLS. The penetrating power of X-rays enables XPCS to probe the dynamics in a broad array of materials, including polymers, glasses and metal alloys, where attempts to describe the dynamics with a simple exponential fit usually fail. In these cases, the prevailing XPCS data analysis approach employs stretched or compressed exponential decay functions (Kohlrausch functions), which implicitly assume homogeneous dynamics. This paper proposes an alternative analysis schememore » based upon inverse Laplace or Gaussian transformation for elucidating heterogeneous distributions of dynamic time scales in XPCS, an approach analogous to the CONTIN algorithm widely accepted in the analysis of DLS from polydisperse and multimodal systems. In conclusion, using XPCS data measured from colloidal gels, it is demonstrated that the inverse transform approach reveals hidden multimodal dynamics in materials, unleashing the full potential of XPCS.« less

X-ray microtomography of porous media at BNL

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

Dowd, B.

This session is comprised of pertinent information about the historical aspects, current status of research, technical achievements, and future plans in X-ray computed microtomography at Brookhaven National Laboratories. An explanation with specifications and diagrams of X-ray instrumentation is provided. Several high resolution 3-D color images of reservoir rock drill cores and other materials are included.

Relativistic Calculations and Measurements of Energies, Auger Rates, and Lifetimes.

DTIC Science & Technology

1982-12-01

Research and Industry, Denton, Texas, 8-10 November 1982. 7. B. Crasemann: "Efectos Relativ’sticos y de QED Sobre las Transiciones Rayos - X y Auger Entre...INNER-SHELL IONIZATION BY PROTONS X -RAY EMISSION BREIT INTERACTION AUGER TRANSITIONS DIRAC-HARTREE-SLATER COMPUTATIONS SYNCHROTRON RADIATION RESONANT...computations, including relativistic and quantum- electrodynamic effects, of atomic energy levels and of x -ray and Auger transitions in atoms with one or

Coherent Multidimensional Core Spectroscopy of Molecules with Multiple X-ray pulses

NASA Astrophysics Data System (ADS)

Mukamel, Shaul

2017-04-01

Multidimensional spectroscopy uses sequences of optical pulses to study dynamical processes in complex molecules through correlation plots involving several time delay periods. Extensions of these techniques to the x-ray regime will be discussed. Ultrafast nonlinear x-ray spectroscopy is made possible by newly developed free electron laser and high harmonic generation sources. The attosecond duration of X-ray pulses and the atomic selectivity of core X-ray excitations offer a uniquely high spatial and temporal resolution. We demonstrate how stimulated Raman detection of an X-ray probe may be used to monitor the phase and dynamics of the nonequilibrium valence electronic state wavepacket created by e.g. photoexcitation, photoionization and Auger processes. Spectroscopy of multiplecore excitations provides a new window into electron correlations. Applications will be presented to long-range charge transfer in proteins and to excitation energy transfer in porphyrin arrays. Conical intersections (CoIn) dominate the pathways and outcomes of virtually all photophysical and photochemical molecular processes. Despite extensive experimental and theoretical effort CoIns have not been directly observed yet and the experimental evidence is being inferred from fast reaction rates and some vibrational signatures. Novel ultrafast X ray probes for these processes will be presented. Short X-ray pulses can directly detect the passage through a CoIn with the adequate temporal and spectral sensitivity. The technique is based on a coherent Raman process that employs a composite femtosecond/attosecond X-ray pulse to directly detect the electronic coherences (rather than populations) that are generated as the system passes through the CoIn. Streaking of time-resolved photoelectron spectroscopy (TRPES) signals offers another powerful window into the joint electronic/vibrational dynamics at concial intersections. Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces thereby manipulating the photophysical and photochemical reaction pathways. The photonic vacuum state of a localized cavity mode can be strongly mixed with the molecular degrees of freedom to create hybrid field-matter states known as polaritons. Simulations of the avoided crossing of sodium iodide in a cavity which incorporate the quantized cavity field into the nuclear wave packet dynamics will be presented. Numerical results show how the branching ratio between the covalent and ionic dissociation channels can be strongly manipulated by the optical cavity.

A preliminary design study for a cosmic X-ray spectrometer

NASA Technical Reports Server (NTRS)

1972-01-01

The results are described of theoretical and experimental investigations aimed at the development of a curved crystal cosmic X-ray spectrometer to be used at the focal plane of the large orbiting X-ray telescope on the third High Energy Astronomical Observatory. The effort was concentrated on the development of spectrometer concepts and their evaluation by theoretical analysis, computer simulation, and laboratory testing with breadboard arrangements of crystals and detectors. In addition, a computer-controlled facility for precision testing and evaluation of crystals in air and vacuum was constructed. A summary of research objectives and results is included.

Digital Mammography with a Mosaic of CCD Arrays

NASA Technical Reports Server (NTRS)

Jalink, Antony, Jr. (Inventor); McAdoo, James A. (Inventor)

1998-01-01

A digital mammography device uses a mosaic of electronic digital imaging arrays to scan an x-ray image is discussed. The mosaic of arrays is repositioned several times to expose different portions of the image, until the entire image is scanned. The data generated by the arrays during each exposure is stored in a computer. After the final exposure, the computer combines data of the several partial images to produce a composite of the original x-ray image. An aperture plate is used to reduce scatter and the overall exposure of the patient to x-rays.

Scintillator high-gain avalanche rushing photoconductor active-matrix flat panel imager: Zero-spatial frequency x-ray imaging properties of the solid-state SHARP sensor structure

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

Wronski, M.; Zhao, W.; Tanioka, K.

Purpose: The authors are investigating the feasibility of a new type of solid-state x-ray imaging sensor with programmable avalanche gain: scintillator high-gain avalanche rushing photoconductor active matrix flat panel imager (SHARP-AMFPI). The purpose of the present work is to investigate the inherent x-ray detection properties of SHARP and demonstrate its wide dynamic range through programmable gain. Methods: A distributed resistive layer (DRL) was developed to maintain stable avalanche gain operation in a solid-state HARP. The signal and noise properties of the HARP-DRL for optical photon detection were investigated as a function of avalanche gain both theoretically and experimentally, and themore » results were compared with HARP tube (with electron beam readout) used in previous investigations of zero spatial frequency performance of SHARP. For this new investigation, a solid-state SHARP x-ray image sensor was formed by direct optical coupling of the HARP-DRL with a structured cesium iodide (CsI) scintillator. The x-ray sensitivity of this sensor was measured as a function of avalanche gain and the results were compared with the sensitivity of HARP-DRL measured optically. The dynamic range of HARP-DRL with variable avalanche gain was investigated for the entire exposure range encountered in radiography/fluoroscopy (R/F) applications. Results: The signal from HARP-DRL as a function of electric field showed stable avalanche gain, and the noise associated with the avalanche process agrees well with theory and previous measurements from a HARP tube. This result indicates that when coupled with CsI for x-ray detection, the additional noise associated with avalanche gain in HARP-DRL is negligible. The x-ray sensitivity measurements using the SHARP sensor produced identical avalanche gain dependence on electric field as the optical measurements with HARP-DRL. Adjusting the avalanche multiplication gain in HARP-DRL enabled a very wide dynamic range which encompassed all clinically relevant medical x-ray exposures. Conclusions: This work demonstrates that the HARP-DRL sensor enables the practical implementation of a SHARP solid-state x-ray sensor capable of quantum noise limited operation throughout the entire range of clinically relevant x-ray exposures. This is an important step toward the realization of a SHARP-AMFPI x-ray flat-panel imager.« 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).

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

PubMed Central

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

2013-01-01

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

Basic investigation of dual-energy x-ray absorptiometry for bone densitometry using computed radiography

NASA Astrophysics Data System (ADS)

Shimura, Kazuo; Nakajima, Nobuyoshi; Tanaka, Hiroshi; Ishida, Masamitsu; Kato, Hisatoyo

1993-09-01

Dual-energy X-ray absorptiometry (DXA) is one of the bone densitometry techniques to diagnose osteoporosis, and has been gradually getting popular due to its high degree of precision. However, DXA involves a time-consuming examination because of its pencil-beam scan, and the equipment is expensive. In this study, we examined a new bone densitometry technique (CR-DXA) utilizing an X-ray imaging system and Computed Radiography (CR) used for medical X-ray image diagnosis. High level of measurement precision and accuracy could be achieved by X-ray rube voltage/filter optimization and various nonuniformity corrections based on simulation and experiment. The phantom study using a bone mineral block showed precision of 0.83% c.v. (coefficient of variation), and accuracy of 0.01 g/cm2, suggesting that a practically equivalent degree of measurement precision and accuracy to that of the DXA approach is achieved. CR-DXA is considered to provide bone mineral densitometry to facilitate simple, quick and precise bone mineral density measurement.

A Chandra Survey of Milky Way Globular Clusters. I. Emissivity and Abundance of Weak X-Ray Sources

NASA Astrophysics Data System (ADS)

Cheng, Zhongqun; Li, Zhiyuan; Xu, Xiaojie; Li, Xiangdong

2018-05-01

Based on archival Chandra data, we have carried out an X-ray survey of 69, or nearly half the known population of, Milky Way globular clusters (GCs), focusing on weak X-ray sources, mainly cataclysmic variables (CVs) and coronally active binaries (ABs). Using the cumulative X-ray luminosity per unit stellar mass (i.e., X-ray emissivity) as a proxy of the source abundance, we demonstrate a paucity (lower by 41% ± 27% on average) of weak X-ray sources in most GCs relative to the field, which is represented by the Solar Neighborhood and Local Group dwarf elliptical galaxies. We also revisit the mutual correlations among the cumulative X-ray luminosity (L X), cluster mass (M), and stellar encounter rate (Γ), finding {L}{{X}}\\propto {M}0.74+/- 0.13, {L}{{X}}\\propto {{{Γ }}}0.67+/- 0.07 and {{Γ }}\\propto {M}1.28+/- 0.17. The three quantities can further be expressed as {L}{{X}}\\propto {M}0.64+/- 0.12 {{{Γ }}}0.19+/- 0.07, which indicates that the dynamical formation of CVs and ABs through stellar encounters in GCs is less dominant than previously suggested, and that the primordial formation channel has a substantial contribution. Taking these aspects together, we suggest that a large fraction of primordial, soft binaries have been disrupted in binary–single or binary–binary stellar interactions before they could otherwise evolve into X-ray-emitting close binaries, whereas the same interactions also have led to the formation of new close binaries. No significant correlations between {L}{{X}}/{L}K and cluster properties, including dynamical age, metallicity, and structural parameters, are found.

Cybersecurity, massive data processing, community interaction, and other developments at WWW-based computational X-ray Server

NASA Astrophysics Data System (ADS)

Stepanov, Sergey

2013-03-01

X-Ray Server (x-server.gmca.aps.anl.gov) is a WWW-based computational server for modeling of X-ray diffraction, reflection and scattering data. The modeling software operates directly on the server and can be accessed remotely either from web browsers or from user software. In the later case the server can be deployed as a software library or a data fitting engine. As the server recently surpassed the milestones of 15 years online and 1.5 million calculations, it accumulated a number of technical solutions that are discussed in this paper. The developed approaches to detecting physical model limits and user calculations failures, solutions to spam and firewall problems, ways to involve the community in replenishing databases and methods to teach users automated access to the server programs may be helpful for X-ray researchers interested in using the server or sharing their own software online.

Method and apparatus for enhanced sensitivity filmless medical x-ray imaging, including three-dimensional imaging

DOEpatents

Parker, S.

1995-10-24

A filmless X-ray imaging system includes at least one X-ray source, upper and lower collimators, and a solid-state detector array, and can provide three-dimensional imaging capability. The X-ray source plane is distance z{sub 1} above upper collimator plane, distance z{sub 2} above the lower collimator plane, and distance z{sub 3} above the plane of the detector array. The object to be X-rayed is located between the upper and lower collimator planes. The upper and lower collimators and the detector array are moved horizontally with scanning velocities v{sub 1}, v{sub 2}, v{sub 3} proportional to z{sub 1}, z{sub 2} and z{sub 3}, respectively. The pattern and size of openings in the collimators, and between detector positions is proportional such that similar triangles are always defined relative to the location of the X-ray source. X-rays that pass through openings in the upper collimator will always pass through corresponding and similar openings in the lower collimator, and thence to a corresponding detector in the underlying detector array. Substantially 100% of the X-rays irradiating the object (and neither absorbed nor scattered) pass through the lower collimator openings and are detected, which promotes enhanced sensitivity. A computer system coordinates repositioning of the collimators and detector array, and X-ray source locations. The computer system can store detector array output, and can associate a known X-ray source location with detector array output data, to provide three-dimensional imaging. Detector output may be viewed instantly, stored digitally, and/or transmitted electronically for image viewing at a remote site. 5 figs.

Method and apparatus for enhanced sensitivity filmless medical x-ray imaging, including three-dimensional imaging

DOEpatents

Parker, Sherwood

1995-01-01

A filmless X-ray imaging system includes at least one X-ray source, upper and lower collimators, and a solid-state detector array, and can provide three-dimensional imaging capability. The X-ray source plane is distance z.sub.1 above upper collimator plane, distance z.sub.2 above the lower collimator plane, and distance z.sub.3 above the plane of the detector array. The object to be X-rayed is located between the upper and lower collimator planes. The upper and lower collimators and the detector array are moved horizontally with scanning velocities v.sub.1, v.sub.2, v.sub.3 proportional to z.sub.1, z.sub.2 and z.sub.3, respectively. The pattern and size of openings in the collimators, and between detector positions is proportional such that similar triangles are always defined relative to the location of the X-ray source. X-rays that pass through openings in the upper collimator will always pass through corresponding and similar openings in the lower collimator, and thence to a corresponding detector in the underlying detector array. Substantially 100% of the X-rays irradiating the object (and neither absorbed nor scattered) pass through the lower collimator openings and are detected, which promotes enhanced sensitivity. A computer system coordinates repositioning of the collimators and detector array, and X-ray source locations. The computer system can store detector array output, and can associate a known X-ray source location with detector array output data, to provide three-dimensional imaging. Detector output may be viewed instantly, stored digitally, and/or transmitted electronically for image viewing at a remote site.

3D X-ray ultra-microscopy of bone tissue.

PubMed

Langer, M; Peyrin, F

2016-02-01

We review the current X-ray techniques with 3D imaging capability at the nano-scale: transmission X-ray microscopy, ptychography and in-line phase nano-tomography. We further review the different ultra-structural features that have so far been resolved: the lacuno-canalicular network, collagen orientation, nano-scale mineralization and their use as basis for mechanical simulations. X-ray computed tomography at the micro-metric scale is increasingly considered as the reference technique in imaging of bone micro-structure. The trend has been to push towards increasingly higher resolution. Due to the difficulty of realizing optics in the hard X-ray regime, the magnification has mainly been due to the use of visible light optics and indirect detection of the X-rays, which limits the attainable resolution with respect to the wavelength of the visible light used in detection. Recent developments in X-ray optics and instrumentation have allowed to implement several types of methods that achieve imaging that is limited in resolution by the X-ray wavelength, thus enabling computed tomography at the nano-scale. We review here the X-ray techniques with 3D imaging capability at the nano-scale: transmission X-ray microscopy, ptychography and in-line phase nano-tomography. Further, we review the different ultra-structural features that have so far been resolved and the applications that have been reported: imaging of the lacuno-canalicular network, direct analysis of collagen orientation, analysis of mineralization on the nano-scale and use of 3D images at the nano-scale to drive mechanical simulations. Finally, we discuss the issue of going beyond qualitative description to quantification of ultra-structural features.

Photoinduced coherent acoustic phonon dynamics inside Mott insulator Sr2IrO4 films observed by femtosecond X-ray pulses

NASA Astrophysics Data System (ADS)

Zhang, Bing-Bing; Liu, Jian; Wei, Xu; Sun, Da-Rui; Jia, Quan-Jie; Li, Yuelin; Tao, Ye

2017-04-01

We investigate the transient photoexcited lattice dynamics in a layered perovskite Mott insulator Sr2IrO4 film by femtosecond X-ray diffraction using a laser plasma-based X-ray source. The ultrafast structural dynamics of Sr2IrO4 thin films are determined by observing the shift and broadening of (0012) Bragg diffraction after excitation by 1.5 eV and 3.0 eV pump photons for films with different thicknesses. The observed transient lattice response can be well interpreted as a distinct three-step dynamics due to the propagation of coherent acoustic phonons generated by photoinduced quasiparticles (QPs). Employing a normalized phonon propagation model, we found that the photoinduced angular shifts of the Bragg peak collapse into a universal curve after introducing normalized coordinates to account for different thicknesses and pump photon energies, pinpointing the origin of the lattice distortion and its early evolution. In addition, a transient photocurrent measurement indicates that the photoinduced QPs are charge neutral excitons. Mapping the phonon propagation and correlating its dynamics with the QP by ultrafast X-ray diffraction (UXRD) establish a powerful way to study electron-phonon coupling and uncover the exotic physics in strongly correlated systems under nonequilibrium conditions.

Recent advances in theoretical and numerical studies of wire array Z-pinch in the IAPCM

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

Ding, Ning, E-mail: ding-ning@iapcm.ac.cn; Zhang, Yang, E-mail: ding-ning@iapcm.ac.cn; Xiao, Delong, E-mail: ding-ning@iapcm.ac.cn

2014-12-15

Fast Z-pinch has produced the most powerful X-ray radiation source in laboratory and also shows the possibility to drive inertial confinement fusion (ICF). Recent advances in wire-array Z-pinch researches at the Institute of Applied Physics and Computational Mathematics are presented in this paper. A typical wire array Z-pinch process has three phases: wire plasma formation and ablation, implosion and the MRT instability development, stagnation and radiation. A mass injection model with azimuthal modulation coefficient is used to describe the wire initiation, and the dynamics of ablated plasmas of wire-array Z-pinches in (r, θ) geometry is numerically studied. In the implosionmore » phase, a two-dimensional(r, z) three temperature radiation MHD code MARED has been developed to investigate the development of the Magneto-Rayleigh-Taylor(MRT) instability. We also analyze the implosion modes of nested wire-array and find that the inner wire-array is hardly affected before the impaction of the outer wire-array. While the plasma accelerated to high speed in the implosion stage stagnates on the axis, abundant x-ray radiation is produced. The energy spectrum of the radiation and the production mechanism are investigated. The computational x-ray pulse shows a reasonable agreement with the experimental result. We also suggest that using alloyed wire-arrays can increase multi-keV K-shell yield by decreasing the opacity of K-shell lines. In addition, we use a detailed circuit model to study the energy coupling between the generator and the Z-pinch implosion. Recently, we are concentrating on the problems of Z-pinch driven ICF, such as dynamic hohlraum and capsule implosions. Our numerical investigations on the interaction of wire-array Z-pinches on foam convertors show qualitative agreements with experimental results on the “Qiangguang I” facility. An integrated two-dimensional simulation of dynamic hohlraum driven capsule implosion provides us the physical insights of wire-array plasma acceleration, shock generation and production, hohlraum formation, radiation ablation and fuel compression.« less

Sparse networks of directly coupled, polymorphic, and functional side chains in allosteric proteins.

PubMed

Soltan Ghoraie, Laleh; Burkowski, Forbes; Zhu, Mu

2015-03-01

Recent studies have highlighted the role of coupled side-chain fluctuations alone in the allosteric behavior of proteins. Moreover, examination of X-ray crystallography data has recently revealed new information about the prevalence of alternate side-chain conformations (conformational polymorphism), and attempts have been made to uncover the hidden alternate conformations from X-ray data. Hence, new computational approaches are required that consider the polymorphic nature of the side chains, and incorporate the effects of this phenomenon in the study of information transmission and functional interactions of residues in a molecule. These studies can provide a more accurate understanding of the allosteric behavior. In this article, we first present a novel approach to generate an ensemble of conformations and an efficient computational method to extract direct couplings of side chains in allosteric proteins, and provide sparse network representations of the couplings. We take the side-chain conformational polymorphism into account, and show that by studying the intrinsic dynamics of an inactive structure, we are able to construct a network of functionally crucial residues. Second, we show that the proposed method is capable of providing a magnified view of the coupled and conformationally polymorphic residues. This model reveals couplings between the alternate conformations of a coupled residue pair. To the best of our knowledge, this is the first computational method for extracting networks of side chains' alternate conformations. Such networks help in providing a detailed image of side-chain dynamics in functionally important and conformationally polymorphic sites, such as binding and/or allosteric sites. © 2014 Wiley Periodicals, Inc.

Computational approach to integrate 3D X-ray microtomography and NMR data.

PubMed

Lucas-Oliveira, Everton; Araujo-Ferreira, Arthur G; Trevizan, Willian A; Fortulan, Carlos A; Bonagamba, Tito J

2018-05-04

Nowadays, most of the efforts in NMR applied to porous media are dedicated to studying the molecular fluid dynamics within and among the pores. These analyses have a higher complexity due to morphology and chemical composition of rocks, besides dynamic effects as restricted diffusion, diffusional coupling, and exchange processes. Since the translational nuclear spin diffusion in a confined geometry (e.g. pores and fractures) requires specific boundary conditions, the theoretical solutions are restricted to some special problems and, in many cases, computational methods are required. The Random Walk Method is a classic way to simulate self-diffusion along a Digital Porous Medium. Bergman model considers the magnetic relaxation process of the fluid molecules by including a probability rate of magnetization survival under surface interactions. Here we propose a statistical approach to correlate surface magnetic relaxivity with the computational method applied to the NMR relaxation in order to elucidate the relationship between simulated relaxation time and pore size of the Digital Porous Medium. The proposed computational method simulates one- and two-dimensional NMR techniques reproducing, for example, longitudinal and transverse relaxation times (T 1 and T 2 , respectively), diffusion coefficients (D), as well as their correlations. For a good approximation between the numerical and experimental results, it is necessary to preserve the complexity of translational diffusion through the microstructures in the digital rocks. Therefore, we use Digital Porous Media obtained by 3D X-ray microtomography. To validate the method, relaxation times of ideal spherical pores were obtained and compared with the previous determinations by the Brownstein-Tarr model, as well as the computational approach proposed by Bergman. Furthermore, simulated and experimental results of synthetic porous media are compared. These results make evident the potential of computational physics in the analysis of the NMR data for complex porous materials. Copyright © 2018 Elsevier Inc. All rights reserved.

«

15

16

17

18

19

»

«

16

17

18

19

20

»

Best Practices for Operando Battery Experiments: Influences of X-ray Experiment Design on Observed Electrochemical Reactivity

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

Borkiewicz, O. J.; Wiaderek, Kamila M.; Chupas, Peter J.

Dynamic properties and multiscale complexities governing electrochemical energy storage in batteries are most ideally interrogated under simulated operating conditions within an electrochemical cell. We assess how electrochemical reactivity can be impacted by experiment design, including the X-ray measurements or by common features or adaptations of electrochemical cells that enable X-ray measurements.

X-ray imaging and controlled solidification of Al-Cu alloys toward microstructures by design

DOE PAGES

Clarke, Amy J.; Tourret, Damien; Imhoff, Seth D.; ...

2015-01-30

X-ray imaging, which permits the microscopic visualization of metal alloy solidification dynamics, can be coupled with controlled solidification to create microstructures by design. In this study, this x-ray image shows a process-derived composite microstructure being made from a eutectic Al-17.1 at.%Cu alloy by successive solidification and remelting steps.

Symposium N: Materials and Devices for Thermal-to-Electric Energy Conversion

DTIC Science & Technology

2010-08-24

X - ray diffraction, transmission electron microscopy, scanning electron microscopy, and dynamic light scattering. Thermal conductivity measurements...SEM), X - ray diffraction (XRD) measurements as well as Raman spectroscopy. The results from these techniques indicate a clear modification...was examined by using scanning electron microscope (SEM; HITACHI S-4500 model) attached with an energy dispersive x - ray spectroscopy. The electrical

Energy discriminating x-ray camera utilizing a cadmium telluride detector

NASA Astrophysics Data System (ADS)

Sato, Eiichi; Purkhet, Abderyim; Matsukiyo, Hiroshi; Osawa, Akihiro; Enomoto, Toshiyuki; Wantanabe, Manabu; Nagao, Jiro; Nomiya, Seiichiro; Hitomi, Keitaro; Tanaka, Etsuro; Kawai, Toshiaki; Sato, Shigehiro; Ogawa, Akira; Onagawa, Jun

2009-07-01

An energy-discriminating x-ray camera is useful for performing monochromatic radiography using polychromatic x rays. This x-ray camera was developed to carry out K-edge radiography using iodine-based contrast media. In this camera, objects are exposed by a cone beam from a cerium x-ray generator, and penetrating x-ray photons are detected by a cadmium telluride detector with an amplifier unit. The optimal x-ray photon energy and the energy width are selected out using a multichannel analyzer, and the photon number is counted by a counter card. Radiography was performed by the detector scanning using an x-y stage driven by a two-stage controller, and radiograms obtained by energy discriminating are shown on a personal computer monitor. In radiography, the tube voltage and current were 60 kV and 36 μA, respectively, and the x-ray intensity was 4.7 μGy/s. Cerium K-series characteristic x rays are absorbed effectively by iodine-based contrast media, and iodine K-edge radiography was performed using x rays with energies just beyond iodine K-edge energy 33.2 keV.

Theoretical calculation of coherent Laue-case conversion between x-rays and ALPs for an x-ray light-shining-through-a-wall experiment

NASA Astrophysics Data System (ADS)

Yamaji, T.; Yamazaki, T.; Tamasaku, K.; Namba, T.

2017-12-01

Single crystals have high atomic electric fields as much as 1 011 V /m , which correspond to magnetic fields of ˜103 T . These fields can be utilized to convert x-rays into axionlike particles (ALPs) coherently similar to x-ray diffraction. In this paper, we perform the first theoretical calculation of the Laue-case conversion in crystals based on the Darwin dynamical theory of x-ray diffraction. The calculation shows that the Laue-case conversion has longer interaction length than the Bragg case, and that ALPs in the keV range can be resonantly converted by tuning an incident angle of x-rays. ALPs with mass up to O (10 keV ) can be searched by light-shining-through-a-wall (LSW) experiments at synchrotron x-ray facilities.

An MCNP-based model of a medical linear accelerator x-ray photon beam.

PubMed

Ajaj, F A; Ghassal, N M

2003-09-01

The major components in the x-ray photon beam path of the treatment head of the VARIAN Clinac 2300 EX medical linear accelerator were modeled and simulated using the Monte Carlo N-Particle radiation transport computer code (MCNP). Simulated components include x-ray target, primary conical collimator, x-ray beam flattening filter and secondary collimators. X-ray photon energy spectra and angular distributions were calculated using the model. The x-ray beam emerging from the secondary collimators were scored by considering the total x-ray spectra from the target as the source of x-rays at the target position. The depth dose distribution and dose profiles at different depths and field sizes have been calculated at a nominal operating potential of 6 MV and found to be within acceptable limits. It is concluded that accurate specification of the component dimensions, composition and nominal accelerating potential gives a good assessment of the x-ray energy spectra.

Charge-induced equilibrium dynamics and structure at the Ag(001)–electrolyte interface

DOE PAGES

Karl Jr., Robert M.; Barbour, Andi; Komanicky, Vladimir; ...

2015-06-08

We have measured the applied potential dependent rate of atomic step motion of the Ag (001) surface in weak NaF electrolyte using a new extension of the technique of X-ray Photon Correlation Spectroscopy (XPCS). Furthermore, concurrent specular x-ray scattering measurements reveal how the ordering of the water layers at the interface correlates with the dynamics.

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

Time-spliced X-ray diffraction imaging of magnetism dynamics in a NdNiO3 thin film

NASA Astrophysics Data System (ADS)

Beyerlein, Kenneth R.

2018-03-01

Diffraction imaging of nonequilibrium dynamics at atomic resolution is becoming possible with X-ray free-electron lasers. However, there are unresolved problems with applying this method to objects that are confined in only one dimension. Here I show that reliable one-dimensional coherent diffraction imaging is possible by splicing together images recovered from different time delays in an optical pump X-ray probe experiment. The time and space evolution of antiferromagnetic order in a vibrationally excited complex oxide heterostructure is recovered from time-resolved measurements of a resonant soft X-ray diffraction peak. Midinfrared excitation of the substrate is shown to lead to a demagnetization front that propagates at a velocity exceeding the speed of sound, a critical observation for the understanding of driven phase transitions in complex condensed matter.

Time-spliced X-ray diffraction imaging of magnetism dynamics in a NdNiO3 thin film.

PubMed

Beyerlein, Kenneth R

2018-02-27

Diffraction imaging of nonequilibrium dynamics at atomic resolution is becoming possible with X-ray free-electron lasers. However, there are unresolved problems with applying this method to objects that are confined in only one dimension. Here I show that reliable one-dimensional coherent diffraction imaging is possible by splicing together images recovered from different time delays in an optical pump X-ray probe experiment. The time and space evolution of antiferromagnetic order in a vibrationally excited complex oxide heterostructure is recovered from time-resolved measurements of a resonant soft X-ray diffraction peak. Midinfrared excitation of the substrate is shown to lead to a demagnetization front that propagates at a velocity exceeding the speed of sound, a critical observation for the understanding of driven phase transitions in complex condensed matter.

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

PubMed

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

2015-09-21

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

Proton transfer mediated by the vibronic coupling in oxygen core ionized states of glyoxalmonoxime studied by infrared-X-ray pump-probe spectroscopy.

PubMed

Felicíssimo, V C; Guimarães, F F; Cesar, A; Gel'mukhanov, F; Agren, H

2006-11-30

The theory of IR-X-ray pump-probe spectroscopy beyond the Born-Oppenheimer approximation is developed and applied to the study of the dynamics of intramolecular proton transfer in glyoxalmonoxime leading to the formation of the tautomer 2-nitrosoethenol. Due to the IR pump pulses the molecule gains sufficient energy to promote a proton to a weakly bound well. A femtosecond X-ray pulse snapshots the wave packet route and, hence, the dynamics of the proton transfer. The glyoxalmonoxime molecule contains two chemically nonequivalent oxygen atoms that possess distinct roles in the hydrogen bond, a hydrogen donor and an acceptor. Core ionizations of these form two intersecting core-ionized states, the vibronic coupling between which along the OH stretching mode partially delocalizes the core hole, resulting in a hopping of the core hole from one site to another. This, in turn, affects the dynamics of the proton transfer in the core-ionized state. The quantum dynamical simulations of X-ray photoelectron spectra of glyoxalmonoxime driven by strong IR pulses demonstrate the general applicability of the technique for studies of intramolecular proton transfer in systems with vibronic coupling.

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

NASA Astrophysics Data System (ADS)

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

2015-09-01

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

A software platform for phase contrast x-ray breast imaging research.

PubMed

Bliznakova, K; Russo, P; Mettivier, G; Requardt, H; Popov, P; Bravin, A; Buliev, I

2015-06-01

To present and validate a computer-based simulation platform dedicated for phase contrast x-ray breast imaging research. The software platform, developed at the Technical University of Varna on the basis of a previously validated x-ray imaging software simulator, comprises modules for object creation and for x-ray image formation. These modules were updated to take into account the refractive index for phase contrast imaging as well as implementation of the Fresnel-Kirchhoff diffraction theory of the propagating x-ray waves. Projection images are generated in an in-line acquisition geometry. To test and validate the platform, several phantoms differing in their complexity were constructed and imaged at 25 keV and 60 keV at the beamline ID17 of the European Synchrotron Radiation Facility. The software platform was used to design computational phantoms that mimic those used in the experimental study and to generate x-ray images in absorption and phase contrast modes. The visual and quantitative results of the validation process showed an overall good correlation between simulated and experimental images and show the potential of this platform for research in phase contrast x-ray imaging of the breast. The application of the platform is demonstrated in a feasibility study for phase contrast images of complex inhomogeneous and anthropomorphic breast phantoms, compared to x-ray images generated in absorption mode. The improved visibility of mammographic structures suggests further investigation and optimisation of phase contrast x-ray breast imaging, especially when abnormalities are present. The software platform can be exploited also for educational purposes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Direct measurement of clinical mammographic x-ray spectra using a CdTe spectrometer.

PubMed

Santos, Josilene C; Tomal, Alessandra; Furquim, Tânia A; Fausto, Agnes M F; Nogueira, Maria S; Costa, Paulo R

2017-07-01

To introduce and evaluate a method developed for the direct measurement of mammographic x-ray spectra using a CdTe spectrometer. The assembly of a positioning system and the design of a simple and customized alignment device for this application is described. A positioning system was developed to easily and accurately locate the CdTe detector in the x-ray beam. Additionally, an alignment device to line up the detector with the central axis of the radiation beam was designed. Direct x-ray spectra measurements were performed in two different clinical mammography units and the measured x-ray spectra were compared with computer-generated spectra. In addition, the spectrometer misalignment effect was evaluated by comparing the measured spectra when this device is aligned relatively to when it is misaligned. The positioning and alignment of the spectrometer have allowed the measurements of direct mammographic x-ray spectra in agreement with computer-generated spectra. The most accurate x-ray spectral shape, related with the minimal HVL value, and high photon fluence for measured spectra was found with the spectrometer aligned according to the proposed method. The HVL values derived from both simulated and measured x-ray spectra differ at most 1.3 and 4.5% for two mammography devices evaluated in this study. The experimental method developed in this work allows simple positioning and alignment of a spectrometer for x-ray spectra measurements given the geometrical constraints and maintenance of the original configurations of mammography machines. © 2017 American Association of Physicists in Medicine.

X-ray emission from Stephan's Quintet and other compact groups

NASA Technical Reports Server (NTRS)

Bahcall, N. A.; Harris, D. E.; Rood, H. J.

1984-01-01

A search for X-ray emission from five compact groups of galaxies with the Einstein Observatory revealed detections from three groups. Soft, extended X-ray emission was observed in Stephan's Quintet, which is most likely caused by hot intracluster gas. This provides evidence for dynamical interaction among the group galaxies. X-ray emission from the group Arp 330 may also originate in hot intracluster gas. Stephan's Quintet and Arp 330 have the largest velocity dispersions among the groups studied, suggesting a correlation between high velocity and the release (or properties) of hot gas. X-ray emission from Arp 318 may originate in its member galaxies.

Reconstruction of the two-dimensional gravitational potential of galaxy clusters from X-ray and Sunyaev-Zel'dovich measurements

NASA Astrophysics Data System (ADS)

Tchernin, C.; Bartelmann, M.; Huber, K.; Dekel, A.; Hurier, G.; Majer, C. L.; Meyer, S.; Zinger, E.; Eckert, D.; Meneghetti, M.; Merten, J.

2018-06-01

Context. The mass of galaxy clusters is not a direct observable, nonetheless it is commonly used to probe cosmological models. Based on the combination of all main cluster observables, that is, the X-ray emission, the thermal Sunyaev-Zel'dovich (SZ) signal, the velocity dispersion of the cluster galaxies, and gravitational lensing, the gravitational potential of galaxy clusters can be jointly reconstructed. Aims: We derive the two main ingredients required for this joint reconstruction: the potentials individually reconstructed from the observables and their covariance matrices, which act as a weight in the joint reconstruction. We show here the method to derive these quantities. The result of the joint reconstruction applied to a real cluster will be discussed in a forthcoming paper. Methods: We apply the Richardson-Lucy deprojection algorithm to data on a two-dimensional (2D) grid. We first test the 2D deprojection algorithm on a β-profile. Assuming hydrostatic equilibrium, we further reconstruct the gravitational potential of a simulated galaxy cluster based on synthetic SZ and X-ray data. We then reconstruct the projected gravitational potential of the massive and dynamically active cluster Abell 2142, based on the X-ray observations collected with XMM-Newton and the SZ observations from the Planck satellite. Finally, we compute the covariance matrix of the projected reconstructed potential of the cluster Abell 2142 based on the X-ray measurements collected with XMM-Newton. Results: The gravitational potentials of the simulated cluster recovered from synthetic X-ray and SZ data are consistent, even though the potential reconstructed from X-rays shows larger deviations from the true potential. Regarding Abell 2142, the projected gravitational cluster potentials recovered from SZ and X-ray data reproduce well the projected potential inferred from gravitational-lensing observations. We also observe that the covariance matrix of the potential for Abell 2142 reconstructed from XMM-Newton data sensitively depends on the resolution of the deprojected grid and on the smoothing scale used in the deprojection. Conclusions: We show that the Richardson-Lucy deprojection method can be effectively applied on a grid and that the projected potential is well recovered from real and simulated data based on X-ray and SZ signal. The comparison between the reconstructed potentials from the different observables provides additional information on the validity of the assumptions as function of the projected radius.

Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses.

PubMed

Kumagai, Yoshiaki; Jurek, Zoltan; Xu, Weiqing; Fukuzawa, Hironobu; Motomura, Koji; Iablonskyi, Denys; Nagaya, Kiyonobu; Wada, Shin-Ichi; Mondal, Subhendu; Tachibana, Tetsuya; Ito, Yuta; Sakai, Tsukasa; Matsunami, Kenji; Nishiyama, Toshiyuki; Umemoto, Takayuki; Nicolas, Christophe; Miron, Catalin; Togashi, Tadashi; Ogawa, Kanade; Owada, Shigeki; Tono, Kensuke; Yabashi, Makina; Son, Sang-Kil; Ziaja, Beata; Santra, Robin; Ueda, Kiyoshi

2018-06-01

We show that electron and ion spectroscopy reveals the details of the oligomer formation in Ar clusters exposed to an x-ray free electron laser (XFEL) pulse, i.e., chemical dynamics triggered by x rays. With guidance from a dedicated molecular dynamics simulation tool, we find that van der Waals bonding, the oligomer formation mechanism, and charge transfer among the cluster constituents significantly affect ionization dynamics induced by an XFEL pulse of moderate fluence. Our results clearly demonstrate that XFEL pulses can be used not only to "damage and destroy" molecular assemblies but also to modify and transform their molecular structure. The accuracy of the predictions obtained makes it possible to apply the cluster spectroscopy, in connection with the respective simulations, for estimation of the XFEL pulse fluence in the fluence regime below single-atom multiple-photon absorption, which is hardly accessible with other diagnostic tools.

Radiation-Induced Chemical Dynamics in Ar Clusters Exposed to Strong X-Ray Pulses

NASA Astrophysics Data System (ADS)

Kumagai, Yoshiaki; Jurek, Zoltan; Xu, Weiqing; Fukuzawa, Hironobu; Motomura, Koji; Iablonskyi, Denys; Nagaya, Kiyonobu; Wada, Shin-ichi; Mondal, Subhendu; Tachibana, Tetsuya; Ito, Yuta; Sakai, Tsukasa; Matsunami, Kenji; Nishiyama, Toshiyuki; Umemoto, Takayuki; Nicolas, Christophe; Miron, Catalin; Togashi, Tadashi; Ogawa, Kanade; Owada, Shigeki; Tono, Kensuke; Yabashi, Makina; Son, Sang-Kil; Ziaja, Beata; Santra, Robin; Ueda, Kiyoshi

2018-06-01

We show that electron and ion spectroscopy reveals the details of the oligomer formation in Ar clusters exposed to an x-ray free electron laser (XFEL) pulse, i.e., chemical dynamics triggered by x rays. With guidance from a dedicated molecular dynamics simulation tool, we find that van der Waals bonding, the oligomer formation mechanism, and charge transfer among the cluster constituents significantly affect ionization dynamics induced by an XFEL pulse of moderate fluence. Our results clearly demonstrate that XFEL pulses can be used not only to "damage and destroy" molecular assemblies but also to modify and transform their molecular structure. The accuracy of the predictions obtained makes it possible to apply the cluster spectroscopy, in connection with the respective simulations, for estimation of the XFEL pulse fluence in the fluence regime below single-atom multiple-photon absorption, which is hardly accessible with other diagnostic tools.

Few-femtosecond time-resolved measurements of X-ray free-electron lasers.

PubMed

Behrens, C; Decker, F-J; Ding, Y; Dolgashev, V A; Frisch, J; Huang, Z; Krejcik, P; Loos, H; Lutman, A; Maxwell, T J; Turner, J; Wang, J; Wang, M-H; Welch, J; Wu, J

2014-04-30

X-ray free-electron lasers, with pulse durations ranging from a few to several hundred femtoseconds, are uniquely suited for studying atomic, molecular, chemical and biological systems. Characterizing the temporal profiles of these femtosecond X-ray pulses that vary from shot to shot is not only challenging but also important for data interpretation. Here we report the time-resolved measurements of X-ray free-electron lasers by using an X-band radiofrequency transverse deflector at the Linac Coherent Light Source. We demonstrate this method to be a simple, non-invasive technique with a large dynamic range for single-shot electron and X-ray temporal characterization. A resolution of less than 1 fs root mean square has been achieved for soft X-ray pulses. The lasing evolution along the undulator has been studied with the electron trapping being observed as the X-ray peak power approaches 100 GW.

«

16

17

18

19

20

»

«

17

18

19

20

21

»

A Control System and Streaming DAQ Platform with Image-Based Trigger for X-ray Imaging

NASA Astrophysics Data System (ADS)

Stevanovic, Uros; Caselle, Michele; Cecilia, Angelica; Chilingaryan, Suren; Farago, Tomas; Gasilov, Sergey; Herth, Armin; Kopmann, Andreas; Vogelgesang, Matthias; Balzer, Matthias; Baumbach, Tilo; Weber, Marc

2015-06-01

High-speed X-ray imaging applications play a crucial role for non-destructive investigations of the dynamics in material science and biology. On-line data analysis is necessary for quality assurance and data-driven feedback, leading to a more efficient use of a beam time and increased data quality. In this article we present a smart camera platform with embedded Field Programmable Gate Array (FPGA) processing that is able to stream and process data continuously in real-time. The setup consists of a Complementary Metal-Oxide-Semiconductor (CMOS) sensor, an FPGA readout card, and a readout computer. It is seamlessly integrated in a new custom experiment control system called Concert that provides a more efficient way of operating a beamline by integrating device control, experiment process control, and data analysis. The potential of the embedded processing is demonstrated by implementing an image-based trigger. It records the temporal evolution of physical events with increased speed while maintaining the full field of view. The complete data acquisition system, with Concert and the smart camera platform was successfully integrated and used for fast X-ray imaging experiments at KIT's synchrotron radiation facility ANKA.

Cracking evolution behaviors of lightweight materials based on in situ synchrotron X-ray tomography: A review

NASA Astrophysics Data System (ADS)

Luo, Y.; Wu, S. C.; Hu, Y. N.; Fu, Y. N.

2018-03-01

Damage accumulation and failure behaviors are crucial concerns during the design and service of a critical component, leading researchers and engineers to thoroughly identifying the crack evolution. Third-generation synchrotron radiation X-ray computed microtomography can be used to detect the inner damage evolution of a large-density material or component. This paper provides a brief review of studying the crack initiation and propagation inside lightweight materials with advanced synchrotron three-dimensional (3D) X-ray imaging, such as aluminum materials. Various damage modes under both static and dynamic loading are elucidated for pure aluminum, aluminum alloy matrix, aluminum alloy metal matrix composite, and aluminum alloy welded joint. For aluminum alloy matrix, metallurgical defects (porosity, void, inclusion, precipitate, etc.) or artificial defects (notch, scratch, pit, etc.) strongly affect the crack initiation and propagation. For aluminum alloy metal matrix composites, the fracture occurs either from the particle debonding or voids at the particle/matrix interface, and the void evolution is closely related with fatigued cycles. For the hybrid laser welded aluminum alloy, fatigue cracks usually initiate from gas pores located at the surface or sub-surface and gradually propagate to a quarter ellipse or a typical semi-ellipse profile.

Anomalous resistivity effect on multiple ion beam emission and hard x-ray generation in a Mather type plasma focus device

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

Behbahani, R. A.; Aghamir, F. M.

Multi ion beam and hard x-ray emissions were detected in a high inductance (more than 100 nH) Mather type plasma focus (PF) device at different filling gas pressures and charging voltages. The signal analysis was performed through the current trace, as it is the fundamental signal from which all of the phenomena in a PF device can be extracted. Two different fitting processes were carried out according to Lee's computational (snow-plow) model. In the first process, only plasma dynamics and classical (Spitzer) resistances were considered as energy consumer parameters for plasma. This led to an unsuccessful fitting and did notmore » answer the energy transfer mechanism into plasma. A second fitting process was considered through the addition of anomalous resistance, which provided the best fit. Anomalous resistance was the source of long decrease in current trace, and multi dips and multi peaks of high voltage probe. Multi-peak features were interpreted considering the second fitting process along with the mechanisms for ion beam production and hard x-ray emission. To show the important role of the anomalous resistance, the duration of the current drop was discussed.« less

The rotation-powered nature of some soft gamma-ray repeaters and anomalous X-ray pulsars

NASA Astrophysics Data System (ADS)

Coelho, Jaziel G.; Cáceres, D. L.; de Lima, R. C. R.; Malheiro, M.; Rueda, J. A.; Ruffini, R.

2017-03-01

Context. Soft gamma-ray repeaters (SGRs) and anomalous X-ray pulsars (AXPs) are slow rotating isolated pulsars whose energy reservoir is still matter of debate. Adopting neutron star (NS) fiducial parameters; mass M = 1.4 M⊙, radius R = 10 km, and moment of inertia, I = 1045 g cm2, the rotational energy loss, Ėrot, is lower than the observed luminosity (dominated by the X-rays) LX for many of the sources. Aims: We investigate the possibility that some members of this family could be canonical rotation-powered pulsars using realistic NS structure parameters instead of fiducial values. Methods: We compute the NS mass, radius, moment of inertia and angular momentum from numerical integration of the axisymmetric general relativistic equations of equilibrium. We then compute the entire range of allowed values of the rotational energy loss, Ėrot, for the observed values of rotation period P and spin-down rate Ṗ. We also estimate the surface magnetic field using a general relativistic model of a rotating magnetic dipole. Results: We show that realistic NS parameters lowers the estimated value of the magnetic field and radiation efficiency, LX/Ėrot, with respect to estimates based on fiducial NS parameters. We show that nine SGRs/AXPs can be described as canonical pulsars driven by the NS rotational energy, for LX computed in the soft (2-10 keV) X-ray band. We compute the range of NS masses for which LX/Ėrot< 1. We discuss the observed hard X-ray emission in three sources of the group of nine potentially rotation-powered NSs. This additional hard X-ray component dominates over the soft one leading to LX/Ėrot > 1 in two of them. Conclusions: We show that 9 SGRs/AXPs can be rotation-powered NSs if we analyze their X-ray luminosity in the soft 2-10 keV band. Interestingly, four of them show radio emission and six have been associated with supernova remnants (including Swift J1834.9-0846 the first SGR observed with a surrounding wind nebula). These observations give additional support to our results of a natural explanation of these sources in terms of ordinary pulsars. Including the hard X-ray emission observed in three sources of the group of potential rotation-powered NSs, this number of sources with LX/Ėrot< 1 becomes seven. It remains open to verification 1) the accuracy of the estimated distances and 2) the possible contribution of the associated supernova remnants to the hard X-ray emission.

Energy-discriminating X-ray computed tomography system utilizing a cadmium telluride detector

NASA Astrophysics Data System (ADS)

Sato, Eiichi; Abderyim, Purkhet; Enomoto, Toshiyuki; Watanabe, Manabu; Hitomi, Keitaro; Takahasi, Kiyomi; Sato, Shigehiro; Ogawae, Akira; Onagawa, Jun

2010-07-01

An energy-discriminating K-edge X-ray computed tomography (CT) system is useful for increasing contrast resolution of a target region utilizing contrast media and for reducing the absorbed dose for patients. The CT system is of the first-generation type with a cadmium telluride (CdTe) detector, and a projection curve is obtained by translation scanning using the CdTe detector in conjunction with an x-stage. An object is rotated by the rotation step angle using a turntable between the translation scans. Thus, CT is carried out by repeating the translation scanning and the rotation of an object. Penetrating X-ray photons from the object are detected by the CdTe detector, and event signals of X-ray photons are produced using charge-sensitive and shaping amplifiers. Both the photon energy and the energy width are selected by use of a multi-channel analyzer, and the number of photons is counted by a counter card. Demonstration of enhanced iodine K-edge X-ray CT was carried out by selecting photons with energies just beyond the iodine K-edge energy of 33.2 keV.

Deexcitation Dynamics of Superhydrogenated Polycyclic Aromatic Hydrocarbon Cations after Soft-x-Ray Absorption

NASA Astrophysics Data System (ADS)

Reitsma, G.; Boschman, L.; Deuzeman, M. J.; González-Magaña, O.; Hoekstra, S.; Cazaux, S.; Hoekstra, R.; Schlathölter, T.

2014-08-01

We have investigated the response of superhydrogenated gas-phase coronene cations upon soft x-ray absorption. Carbon (1s)⟶π⋆ transitions were resonantly excited at hν =285 eV. The resulting core hole is then filled in an Auger decay process, with the excess energy being released in the form of an Auger electron. Predominantly highly excited dications are thus formed, which cool down by hydrogen emission. In superhydrogenated systems, the additional H atoms act as a buffer, quenching loss of native H atoms and molecular fragmentation. Dissociation and transition state energies for several H loss channels were computed by means of density functional theory. Using these energies as input into an Arrhenius-type cascade model, very good agreement with the experimental data is found. The results have important implications for the survival of polyaromatic hydrocarbons in the interstellar medium and reflect key aspects of graphene hydrogenation.

Pair potentials for warm dense matter and their application to x-ray Thomson scattering in aluminum and beryllium.

PubMed

Harbour, L; Dharma-Wardana, M W C; Klug, D D; Lewis, L J

2016-11-01

Ultrafast laser experiments yield increasingly reliable data on warm dense matter, but their interpretation requires theoretical models. We employ an efficient density functional neutral-pseudoatom hypernetted-chain (NPA-HNC) model with accuracy comparable to ab initio simulations and which provides first-principles pseudopotentials and pair potentials for warm-dense matter. It avoids the use of (i) ad hoc core-repulsion models and (ii) "Yukawa screening" and (iii) need not assume ion-electron thermal equilibrium. Computations of the x-ray Thomson scattering (XRTS) spectra of aluminum and beryllium are compared with recent experiments and with density-functional-theory molecular-dynamics (DFT-MD) simulations. The NPA-HNC structure factors, compressibilities, phonons, and conductivities agree closely with DFT-MD results, while Yukawa screening gives misleading results. The analysis of the XRTS data for two of the experiments, using two-temperature quasi-equilibrium models, is supported by calculations of their temperature relaxation times.

The relationship between crystal structure and methyl and t-butyl group dynamics in van der Waals organic solids

NASA Astrophysics Data System (ADS)

Beckmann, Peter A.; Paty, Carol; Allocco, Elizabeth; Herd, Maria; Kuranz, Carolyn; Rheingold, Arnold L.

2004-03-01

We report x-ray diffractometry in a single crystal of 2-t-butyl-4-methylphenol (TMP) and low-frequency solid state nuclear magnetic resonance (NMR) proton relaxometry in a polycrystalline sample of TMP. The x-ray data show TMP to have a monoclinic, P21/c, structure with eight molecules per unit cell and two crystallographically inequivalent t-butyl group (C(CH3)3) sites. The proton spin-lattice relaxation rates were measured between 90 and 310 K at NMR frequencies of 8.50, 22.5, and 53.0 MHz. The relaxometry data is fitted with two models characterizing the dynamics of the t-butyl groups and their constituent methyl groups, both of which are consistent with the determined x-ray structure. In addition to presenting results for TMP, we review previously reported x-ray diffractometry and low-frequency NMR relaxometry in two other van der Waals solids which have a simpler structure. In both cases, a unique model for the reorientational dynamics was found. Finally, we review a similar previously reported analysis in a van der Waals solid with a very complex structure in which case fitting the NMR relaxometry requires very many parameters and serves mainly as a flag for a careful x-ray diffraction study.

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.

A tetrahedron beam computed tomography benchtop system with a multiple pixel field emission x-ray tube.

PubMed

Xu, Xiaochao; Kim, Joshua; Laganis, Philip; Schulze, Derek; Liang, Yongguang; Zhang, Tiezhi

2011-10-01

To demonstrate the feasibility of Tetrahedron Beam Computed Tomography (TBCT) using a carbon nanotube (CNT) multiple pixel field emission x-ray (MPFEX) tube. A multiple pixel x-ray source facilitates the creation of novel x-ray imaging modalities. In a previous publication, the authors proposed a Tetrahedron Beam Computed Tomography (TBCT) imaging system which comprises a linear source array and a linear detector array that are orthogonal to each other. TBCT is expected to reduce scatter compared with Cone Beam Computed Tomography (CBCT) and to have better detector performance. Therefore, it may produce improved image quality for image guided radiotherapy. In this study, a TBCT benchtop system has been developed with an MPFEX tube. The tube has 75 CNT cold cathodes, which generate 75 x-ray focal spots on an elongated anode, and has 4 mm pixel spacing. An in-house-developed, 5-row CT detector array using silicon photodiodes and CdWO(4) scintillators was employed in the system. Hardware and software were developed for tube control and detector data acquisition. The raw data were preprocessed for beam hardening and detector response linearity and were reconstructed with an FDK-based image reconstruction algorithm. The focal spots were measured at about 1 × 2 mm(2) using a star phantom. Each cathode generates around 3 mA cathode current with 2190 V gate voltage. The benchtop system is able to perform TBCT scans with a prolonged scanning time. Images of a commercial CT phantom were successfully acquired. A prototype system was developed, and preliminary phantom images were successfully acquired. MPFEX is a promising x-ray source for TBCT. Further improvement of tube output is needed in order for it to be used in clinical TBCT systems.

Apparatus for obtaining an X-ray image

DOEpatents

Watanabe, Eiji

1979-01-01

A computed tomography apparatus in which a fan-shaped X-ray beam is caused to pass through a section of an object, enabling absorption detection on the opposite side of the object by a detector comprising a plurality of discrete detector elements. An electron beam generating the X-ray beam by impacting upon a target is caused to rotate over the target.

Dual-CGH interferometry test for x-ray mirror mandrels

NASA Astrophysics Data System (ADS)

Gao, Guangjun; Lehan, John P.; Griesmann, Ulf

2009-06-01

We describe a glancing-incidence interferometric double-pass test, based on a pair of computer-generated holograms (CGHs), for mandrels used to fabricate x-ray mirrors for space-based x-ray telescopes. The design of the test and its realization are described. The application illustrates the advantage of dual-CGH tests for the complete metrology of precise optical surfaces.

Phase-contrast X-ray computed tomography of non-formalin fixed biological objects

NASA Astrophysics Data System (ADS)

Takeda, Tohoru; Momose, Atsushi; Wu, Jin; Zeniya, Tsutomu; Yu, Quanwen; Thet-Thet-Lwin; Itai, Yuji

2001-07-01

Using a monolithic X-ray interferometer having the view size of 25 mm×25 mm, phase-contrast X-ray CT (PCCT) was performed for non-formalin fixed livers of two normal rats and a rabbit transplanted with VX-2 cancer. PCCT images of liver and cancer lesions resembled well those obtained by formalin fixed samples.

Dynamic discrete tomography

NASA Astrophysics Data System (ADS)

Alpers, Andreas; Gritzmann, Peter

2018-03-01

We consider the problem of reconstructing the paths of a set of points over time, where, at each of a finite set of moments in time the current positions of points in space are only accessible through some small number of their x-rays. This particular particle tracking problem, with applications, e.g. in plasma physics, is the basic problem in dynamic discrete tomography. We introduce and analyze various different algorithmic models. In particular, we determine the computational complexity of the problem (and various of its relatives) and derive algorithms that can be used in practice. As a byproduct we provide new results on constrained variants of min-cost flow and matching problems.

Nonlinear calculations of the time evolution of black hole accretion disks

NASA Technical Reports Server (NTRS)

Luo, C.

1994-01-01

Based on previous works on black hole accretion disks, I continue to explore the disk dynamics using the finite difference method to solve the highly nonlinear problem of time-dependent alpha disk equations. Here a radially zoned model is used to develop a computational scheme in order to accommodate functional dependence of the viscosity parameter alpha on the disk scale height and/or surface density. This work is based on the author's previous work on the steady disk structure and the linear analysis of disk dynamics to try to apply to x-ray emissions from black candidates (i.e., multiple-state spectra, instabilities, QPO's, etc.).

Charge Exchange X-Ray Emission due to Highly Charged Ion Collisions with H, He, and H2: Line Ratios for Heliospheric and Interstellar Applications

NASA Astrophysics Data System (ADS)

Cumbee, R. S.; Mullen, P. D.; Lyons, D.; Shelton, R. L.; Fogle, M.; Schultz, D. R.; Stancil, P. C.

2018-01-01

The fundamental collisional process of charge exchange (CX) has been established as a primary source of X-ray emission from the heliosphere, planetary exospheres, and supernova remnants. In this process, X-ray emission results from the capture of an electron by a highly charged ion from a neutral atom or molecule, to form a highly excited, high-charge state ion. As the captured electron cascades down to the lowest energy level, photons are emitted, including X-rays. To provide reliable CX-induced X-ray spectral models to realistically simulate these environments, line ratios and spectra are computed using theoretical CX cross sections obtained with the multi-channel Landau-Zener, atomic-orbital close-coupling, molecular-orbital close-coupling, and classical trajectory Monte Carlo methods for various collisional velocities relevant to astrophysics. X-ray spectra were computed for collisions of bare and H-like C to Al ions with H, He, and H2 with results compared to available experimental data. Using these line ratios, XSPEC models of CX emission in the northeast rim of the Cygnus Loop supernova remnant and the heliosphere are shown as examples with ion velocity dependence.

Hybrid setup for micro- and nano-computed tomography in the hard X-ray range

NASA Astrophysics Data System (ADS)

Fella, Christian; Balles, Andreas; Hanke, Randolf; Last, Arndt; Zabler, Simon

2017-12-01

With increasing miniaturization in industry and medical technology, non-destructive testing techniques are an area of ever-increasing importance. In this framework, X-ray microscopy offers an efficient tool for the analysis, understanding, and quality assurance of microscopic samples, in particular as it allows reconstructing three-dimensional data sets of the whole sample's volume via computed tomography (CT). The following article describes a compact X-ray microscope in the hard X-ray regime around 9 keV, based on a highly brilliant liquid-metal-jet source. In comparison to commercially available instruments, it is a hybrid that works in two different modes. The first one is a micro-CT mode without optics, which uses a high-resolution detector to allow scans of samples in the millimeter range with a resolution of 1 μm. The second mode is a microscope, which contains an X-ray optical element to magnify the sample and allows resolving 150 nm features. Changing between the modes is possible without moving the sample. Thus, the instrument represents an important step towards establishing high-resolution laboratory-based multi-mode X-ray microscopy as a standard investigation method.

SoftWAXS: a computational tool for modeling wide-angle X-ray solution scattering from biomolecules.

PubMed

Bardhan, Jaydeep; Park, Sanghyun; Makowski, Lee

2009-10-01

This paper describes a computational approach to estimating wide-angle X-ray solution scattering (WAXS) from proteins, which has been implemented in a computer program called SoftWAXS. The accuracy and efficiency of SoftWAXS are analyzed for analytically solvable model problems as well as for proteins. Key features of the approach include a numerical procedure for performing the required spherical averaging and explicit representation of the solute-solvent boundary and the surface of the hydration layer. These features allow the Fourier transform of the excluded volume and hydration layer to be computed directly and with high accuracy. This approach will allow future investigation of different treatments of the electron density in the hydration shell. Numerical results illustrate the differences between this approach to modeling the excluded volume and a widely used model that treats the excluded-volume function as a sum of Gaussians representing the individual atomic excluded volumes. Comparison of the results obtained here with those from explicit-solvent molecular dynamics clarifies shortcomings inherent to the representation of solvent as a time-averaged electron-density profile. In addition, an assessment is made of how the calculated scattering patterns depend on input parameters such as the solute-atom radii, the width of the hydration shell and the hydration-layer contrast. These results suggest that obtaining predictive calculations of high-resolution WAXS patterns may require sophisticated treatments of solvent.

Coupling MD Simulations and X-ray Absorption Spectroscopy to Study Ions in Solution

NASA Astrophysics Data System (ADS)

Marcos, E. Sánchez; Beret, E. C.; Martínez, J. M.; Pappalardo, R. R.; Ayala, R.; Muñoz-Páez, A.

2007-12-01

The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among the reduced number of experimental techniques which can supply direct information on the ion environment, X-ray Absorption techniques (XAS) have gained importance during the last decades although they are not free of difficulties associated to the data analysis leading to provide reliable structures. Computer simulations of ions in solution is a theoretical alternative to provide information on the solvation structure. Thus, the use of computational chemistry can increase the understanding of these systems although an accurate description of ionic solvation phenomena represents nowadays a significant challenge to theoretical chemistry. We present: (a) the assignment of features in the XANES spectrum to well defined structural motif in the ion environment, (b) MD-based evaluation of EXAFS parameters used in the fitting procedure to make easier the structural resolution, and (c) the use of the agreement between experimental and simulated XANES spectra to help in the choice of a given intermolecular potential for Computer Simulations. Chemical problems examined are: (a) the identification of the second hydration shell in dilute aqueous solutions of highly-charged cations, such as Cr3+, Rh3+, Ir3+, (b) the invisibility by XAS of certain structures characterized by Computer Simulations but exhibiting high dynamical behavior and (c) the solvation of Br- in acetonitrile.

Coupling MD Simulations and X-ray Absorption Spectroscopy to Study Ions in Solution

NASA Astrophysics Data System (ADS)

Marcos, E. Sánchez; Beret, E. C.; Martínez, J. M.; Pappalardo, R. R.; Ayala, R.; Muñoz-Páez, A.

2007-11-01

The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among the reduced number of experimental techniques which can supply direct information on the ion environment, X-ray Absorption techniques (XAS) have gained importance during the last decades although they are not free of difficulties associated to the data analysis leading to provide reliable structures. Computer simulations of ions in solution is a theoretical alternative to provide information on the solvation structure. Thus, the use of computational chemistry can increase the understanding of these systems although an accurate description of ionic solvation phenomena represents nowadays a significant challenge to theoretical chemistry. We present: (a) the assignment of features in the XANES spectrum to well defined structural motif in the ion environment, (b) MD-based evaluation of EXAFS parameters used in the fitting procedure to make easier the structural resolution, and (c) the use of the agreement between experimental and simulated XANES spectra to help in the choice of a given intermolecular potential for Computer Simulations. Chemical problems examined are: (a) the identification of the second hydration shell in dilute aqueous solutions of highly-charged cations, such as Cr3+, Rh3+, Ir3+, (b) the invisibility by XAS of certain structures characterized by Computer Simulations but exhibiting high dynamical behavior and (c) the solvation of Br- in acetonitrile.

«

17

18

19

20

21

»

«

18

19

20

21

22

»

Dynamic X-ray diffraction sampling for protein crystal positioning

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

Scarborough, Nicole M.; Godaliyadda, G. M. Dilshan P.; Ye, Dong Hye

A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction,more » significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 µm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Furthermore, by usingin situtwo-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 µm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by limiting the dose and area exposed for image reconstruction and crystal positioning using data collection hardware present in most macromolecular crystallography end-stations.« less

Dynamic X-ray diffraction sampling for protein crystal positioning

DOE PAGES

Scarborough, Nicole M.; Godaliyadda, G. M. Dilshan P.; Ye, Dong Hye; ...

2017-01-01

A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction,more » significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 µm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Furthermore, by usingin situtwo-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 µm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by limiting the dose and area exposed for image reconstruction and crystal positioning using data collection hardware present in most macromolecular crystallography end-stations.« less

Dynamic X-ray diffraction sampling for protein crystal positioning

PubMed Central

Scarborough, Nicole M.; Godaliyadda, G. M. Dilshan P.; Ye, Dong Hye; Kissick, David J.; Zhang, Shijie; Newman, Justin A.; Sheedlo, Michael J.; Chowdhury, Azhad U.; Fischetti, Robert F.; Das, Chittaranjan; Buzzard, Gregery T.; Bouman, Charles A.; Simpson, Garth J.

2017-01-01

A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction, significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 µm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Using in situ two-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 µm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by limiting the dose and area exposed for image reconstruction and crystal positioning using data collection hardware present in most macromolecular crystallography end-stations. PMID:28009558

Dynamic X-ray diffraction sampling for protein crystal positioning.

PubMed

Scarborough, Nicole M; Godaliyadda, G M Dilshan P; Ye, Dong Hye; Kissick, David J; Zhang, Shijie; Newman, Justin A; Sheedlo, Michael J; Chowdhury, Azhad U; Fischetti, Robert F; Das, Chittaranjan; Buzzard, Gregery T; Bouman, Charles A; Simpson, Garth J

2017-01-01

A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction, significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 µm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Using in situ two-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 µm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by limiting the dose and area exposed for image reconstruction and crystal positioning using data collection hardware present in most macromolecular crystallography end-stations.

Industrial applications of automated X-ray inspection

NASA Astrophysics Data System (ADS)

Shashishekhar, N.

2015-03-01

Many industries require that 100% of manufactured parts be X-ray inspected. Factors such as high production rates, focus on inspection quality, operator fatigue and inspection cost reduction translate to an increasing need for automating the inspection process. Automated X-ray inspection involves the use of image processing algorithms and computer software for analysis and interpretation of X-ray images. This paper presents industrial applications and illustrative case studies of automated X-ray inspection in areas such as automotive castings, fuel plates, air-bag inflators and tires. It is usually necessary to employ application-specific automated inspection strategies and techniques, since each application has unique characteristics and interpretation requirements.

Computer simulation of the CSPAD, ePix10k, and RayonixMX170HS X-ray detectors

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

Tina, Adrienne

2015-08-21

The invention of free-electron lasers (FELs) has opened a door to an entirely new level of scientific research. The Linac Coherent Light Source (LCLS) at SLAC National Accelerator Laboratory is an X-ray FEL that houses several instruments, each with its own unique X-ray applications. This light source is revolutionary in that while its properties allow for a whole new range of scientific opportunities, it also poses numerous challenges. For example, the intensity of a focused X-ray beam is enough to damage a sample in one mere pulse; however, the pulse speed and extreme brightness of the source together are enoughmore » to obtain enough information about that sample, so that no further measurements are necessary. An important device in the radiation detection process, particularly for X-ray imaging, is the detector. The power of the LCLS X-rays has instigated a need for better performing detectors. The research conducted for this project consisted of the study of X-ray detectors to imitate their behaviors in a computer program. The analysis of the Rayonix MX170-HS, CSPAD, and ePix10k in particular helped to understand their properties. This program simulated the interaction of X-ray photons with these detectors to discern the patterns of their responses. A scientist’s selection process of a detector for a specific experiment is simplified from the characterization of the detectors in the program.« less

75 FR 4088 - Medicare Program; Approval of Independent Accrediting Organizations To Participate in the...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-26

...) (excluding x-ray, ultrasound, and fluoroscopy), as specified by the Secretary in consultation with physician... ``imaging and computer-assisted imaging services, including x-ray, ultrasound (including echocardiography...

Patient size and x-ray technique factors in head computed tomography examinations. II. Image quality.

PubMed

Huda, Walter; Lieberman, Kristin A; Chang, Jack; Roskopf, Marsha L

2004-03-01

We investigated how patient head characteristics, as well as the choice of x-ray technique factors, affect lesion contrast and noise values in computed tomography (CT) images. Head sizes and mean Hounsfield unit (HU) values were obtained from head CT images for five classes of patients ranging from the newborn to adults. X-ray spectra with tube voltages ranging from 80 to 140 kV were used to compute the average photon energy, and energy fluence, transmitted through the heads of patients of varying size. Image contrast, and the corresponding contrast to noise ratios (CNRs), were determined for lesions of fat, muscle, and iodine relative to a uniform water background. Maintaining a constant image CNR for each lesion, the patient energy imparted was also computed to identify the x-ray tube voltage that minimized the radiation dose. For adults, increasing the tube voltage from 80 to 140 kV changed the iodine HU from 2.62 x 10(5) to 1.27 x 10(5), the fat HU from -138 to -108, and the muscle HU from 37.1 to 33.0. Increasing the x-ray tube voltage from 80 to 140 kV increased the percentage energy fluence transmission by up to a factor of 2. For a fixed x-ray tube voltage, the percentage transmitted energy fluence in adults was more than a factor of 4 lower than for newborns. For adults, increasing the x-ray tube voltage from 80 to 140 kV improved the CNR for muscle lesions by 130%, for fat lesions by a factor of 2, and for iodine lesions by 25%. As the size of the patient increased from newborn to adults, lesion CNR was reduced by about a factor of 2. The mAs value can be reduced by 80% when scanning newborns while maintaining the same lesion CNR as for adults. Maintaining the CNR of an iodine lesion at a constant level, use of 140 kV increases the energy imparted to an adult patient by nearly a factor of 3.5 in comparison to 80 kV. For fat and muscle lesions, raising the x-ray tube voltage from 80 to 140 kV at a constant CNR increased the patient dose by 37% and 7%, respectively. Our two key findings are that for head CT examinations performed at a constant CNR, the mAs can be substantially reduced when scanning infants, and that use of the lowest x-ray tube voltage will generally reduce patient doses.

X-ray-induced acoustic computed tomography of concrete infrastructure

NASA Astrophysics Data System (ADS)

Tang, Shanshan; Ramseyer, Chris; Samant, Pratik; Xiang, Liangzhong

2018-02-01

X-ray-induced Acoustic Computed Tomography (XACT) takes advantage of both X-ray absorption contrast and high ultrasonic resolution in a single imaging modality by making use of the thermoacoustic effect. In XACT, X-ray absorption by defects and other structures in concrete create thermally induced pressure jumps that launch ultrasonic waves, which are then received by acoustic detectors to form images. In this research, XACT imaging was used to non-destructively test and identify defects in concrete. For concrete structures, we conclude that XACT imaging allows multiscale imaging at depths ranging from centimeters to meters, with spatial resolutions from sub-millimeter to centimeters. XACT imaging also holds promise for single-side testing of concrete infrastructure and provides an optimal solution for nondestructive inspection of existing bridges, pavement, nuclear power plants, and other concrete infrastructure.

What can we learn from in-soil imaging of a live plant: X-ray Computed Tomography and 3D numerical simulation of root-soil system

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

Yang, Xiaofan; Varga, Tamas; Liu, Chongxuan

Plant roots play a critical role in plant-soil-microbe interactions that occur in the rhizosphere, as well as processes with important implications to farming, forest management and climate change. X-ray computed tomography (XCT) has been proven to be an effective tool for non-invasive root imaging and analysis. A combination of XCT, open-source software, and our own code was used to noninvasively image a prairie dropseed (Sporobolus heterolepis) specimen, segment the root data to obtain a 3D image of the root structure at 31µm resolution, and extract quantitative information (root volume and surface area) from the 3D data, respectively. Based on themore » mesh generated from the root structure, computational fluid dynamics (CFD) simulations were applied to numerically investigate the root-soil-groundwater system. The plant root conductivity, soil hydraulic conductivity and transpiration rate were shown to control the groundwater distribution. The flow variability and soil water distributions under different scenarios were investigated. Parameterizations were evaluated to show their impacts on the average conductivity. The pore-scale modeling approach provides realistic simulations of rhizosphere flow processes and provides useful information that can be linked to upscaled models.« less

Resonant inelastic x-ray scattering on iso-C{sub 2}H{sub 2}Cl{sub 2} around the chlorine K-edge: Structural and dynamical aspects

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

Kawerk, Elie, E-mail: eliekawerk@hotmail.com, E-mail: ekawerk@units.it; Sorbonne Universités, UPMC Université Paris 06, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris; Laboratoire de Physique Appliquée, Faculté des Sciences II, Université Libanaise, 90656 Jdeidet el Metn, Liban

2014-10-14

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

Three-Dimensional Printing of X-Ray Computed Tomography Datasets with Multiple Materials Using Open-Source Data Processing

ERIC Educational Resources Information Center

Sander, Ian M.; McGoldrick, Matthew T.; Helms, My N.; Betts, Aislinn; van Avermaete, Anthony; Owers, Elizabeth; Doney, Evan; Liepert, Taimi; Niebur, Glen; Liepert, Douglas; Leevy, W. Matthew

2017-01-01

Advances in three-dimensional (3D) printing allow for digital files to be turned into a "printed" physical product. For example, complex anatomical models derived from clinical or pre-clinical X-ray computed tomography (CT) data of patients or research specimens can be constructed using various printable materials. Although 3D printing…

Feasibility studies on explosive detection and homeland security applications using a neutron and x-ray combined computed tomography system

NASA Astrophysics Data System (ADS)

Sinha, V.; Srivastava, A.; Lee, H. K.; Liu, X.

2013-05-01

The successful creation and operation of a neutron and X-ray combined computed tomography (NXCT) system has been demonstrated by researchers at the Missouri University of Science and Technology. The NXCT system has numerous applications in the field of material characterization and object identification in materials with a mixture of atomic numbers represented. Presently, the feasibility studies have been performed for explosive detection and homeland security applications, particularly in concealed material detection and determination of the light atomic number materials. These materials cannot be detected using traditional X-ray imaging. The new system has the capability to provide complete structural and compositional information due to the complementary nature of X-ray and neutron interactions with materials. The design of the NXCT system facilitates simultaneous and instantaneous imaging operation, promising enhanced detection capabilities of explosive materials, low atomic number materials and illicit materials for homeland security applications. In addition, a sample positioning system allowing the user to remotely and automatically manipulate the sample makes the system viable for commercial applications. Several explosives and weapon simulants have been imaged and the results are provided. The fusion algorithms which combine the data from the neutron and X-ray imaging produce superior images. This paper is a compete overview of the NXCT system for feasibility studies of explosive detection and homeland security applications. The design of the system, operation, algorithm development, and detection schemes are provided. This is the first combined neutron and X-ray computed tomography system in operation. Furthermore, the method of fusing neutron and X-ray images together is a new approach which provides high contrast images of the desired object. The system could serve as a standardized tool in nondestructive testing of many applications, especially in explosives detection and homeland security research.

SU-C-209-06: Improving X-Ray Imaging with Computer Vision and Augmented Reality

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

MacDougall, R.D.; Scherrer, B; Don, S

Purpose: To determine the feasibility of using a computer vision algorithm and augmented reality interface to reduce repeat rates and improve consistency of image quality and patient exposure in general radiography. Methods: A prototype device, designed for use with commercially available hardware (Microsoft Kinect 2.0) capable of depth sensing and high resolution/frame rate video, was mounted to the x-ray tube housing as part of a Philips DigitalDiagnost digital radiography room. Depth data and video was streamed to a Windows 10 PC. Proprietary software created an augmented reality interface where overlays displayed selectable information projected over real-time video of the patient.more » The information displayed prior to and during x-ray acquisition included: recognition and position of ordered body part, position of image receptor, thickness of anatomy, location of AEC cells, collimated x-ray field, degree of patient motion and suggested x-ray technique. Pre-clinical data was collected in a volunteer study to validate patient thickness measurements and x-ray images were not acquired. Results: Proprietary software correctly identified ordered body part, measured patient motion, and calculated thickness of anatomy. Pre-clinical data demonstrated accuracy and precision of body part thickness measurement when compared with other methods (e.g. laser measurement tool). Thickness measurements provided the basis for developing a database of thickness-based technique charts that can be automatically displayed to the technologist. Conclusion: The utilization of computer vision and commercial hardware to create an augmented reality view of the patient and imaging equipment has the potential to drastically improve the quality and safety of x-ray imaging by reducing repeats and optimizing technique based on patient thickness. Society of Pediatric Radiology Pilot Grant; Washington University Bear Cub Fund.« less

A photodiode amplifier system for pulse-by-pulse intensity measurement of an x-ray free electron laser.

PubMed

Kudo, Togo; Tono, Kensuke; Yabashi, Makina; Togashi, Tadashi; Sato, Takahiro; Inubushi, Yuichi; Omodani, Motohiko; Kirihara, Yoichi; Matsushita, Tomohiro; Kobayashi, Kazuo; Yamaga, Mitsuhiro; Uchiyama, Sadayuki; Hatsui, Takaki

2012-04-01

We have developed a single-shot intensity-measurement system using a silicon positive-intrinsic-negative (PIN) photodiode for x-ray pulses from an x-ray free electron laser. A wide dynamic range (10(3)-10(11) photons/pulse) and long distance signal transmission (>100 m) were required for this measurement system. For this purpose, we developed charge-sensitive and shaping amplifiers, which can process charge pulses with a wide dynamic range and variable durations (ns-μs) and charge levels (pC-μC). Output signals from the amplifiers were transmitted to a data acquisition system through a long cable in the form of a differential signal. The x-ray pulse intensities were calculated from the peak values of the signals by a waveform fitting procedure. This system can measure 10(3)-10(9) photons/pulse of ~10 keV x-rays by direct irradiation of a silicon PIN photodiode, and from 10(7)-10(11) photons/pulse by detecting the x-rays scattered by a diamond film using the silicon PIN photodiode. This system gives a relative accuracy of ~10(-3) with a proper gain setting of the amplifiers for each measurement. Using this system, we succeeded in detecting weak light at the developmental phase of the light source, as well as intense light during lasing of the x-ray free electron laser. © 2012 American Institute of Physics

A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins.

PubMed

Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele

2015-10-26

The importance of taking into account protein flexibility in drug design and virtual ligand screening (VS) has been widely debated in the literature, and molecular dynamics (MD) has been recognized as one of the most powerful tools for investigating intrinsic protein dynamics. Nevertheless, deciphering the amount of information hidden in MD simulations and recognizing a significant minimal set of states to be used in virtual screening experiments can be quite complicated. Here we present an integrated MD-FLAP (molecular dynamics-fingerprints for ligand and proteins) approach, comprising a pipeline of molecular dynamics, clustering and linear discriminant analysis, for enhancing accuracy and efficacy in VS campaigns. We first extracted a limited number of representative structures from tens of nanoseconds of MD trajectories by means of the k-medoids clustering algorithm as implemented in the BiKi Life Science Suite ( http://www.bikitech.com [accessed July 21, 2015]). Then, instead of applying arbitrary selection criteria, that is, RMSD, pharmacophore properties, or enrichment performances, we allowed the linear discriminant analysis algorithm implemented in FLAP ( http://www.moldiscovery.com [accessed July 21, 2015]) to automatically choose the best performing conformational states among medoids and X-ray structures. Retrospective virtual screenings confirmed that ensemble receptor protocols outperform single rigid receptor approaches, proved that computationally generated conformations comprise the same quantity/quality of information included in X-ray structures, and pointed to the MD-FLAP approach as a valuable tool for improving VS performances.

High-speed photon-counting x-ray computed tomography system utilizing a multipixel photon counter

NASA Astrophysics Data System (ADS)

Sato, Eiichi; Enomoto, Toshiyuki; Watanabe, Manabu; Hitomi, Keitaro; Takahashi, Kiyomi; Sato, Shigehiro; Ogawa, Akiro; Onagawa, Jun

2009-07-01

High-speed photon counting is useful for discriminating photon energy and for decreasing absorbed dose for patients in medical radiography, and the counting is usable for constructing an x-ray computed tomography (CT) system. A photon-counting x-ray CT system is of the first generation type and consists of an x-ray generator, a turn table, a translation stage, a two-stage controller, a multipixel photon counter (MPPC) module, a 1.0-mm-thick LSO crystal (scintillator), a counter card (CC), and a personal computer (PC). Tomography is accomplished by repeating the linear scanning and the rotation of an object, and projection curves of the object are obtained by the linear scanning using the detector consisting of a MPPC module and the LSO. The pulses of the event signal from the module are counted by the CC in conjunction with the PC. The lower level of the photon energy is roughly determined by a comparator circuit in the module, and the unit of the level is the photon equivalent (pe). Thus, the average photon energy of the x-ray spectra increases with increasing the lower-level voltage of the comparator. The maximum count rate was approximately 20 Mcps, and energy-discriminated CT was roughly carried out.

High-speed classification of coherent X-ray diffraction patterns on the K computer for high-resolution single biomolecule imaging.

PubMed

Tokuhisa, Atsushi; Arai, Junya; Joti, Yasumasa; Ohno, Yoshiyuki; Kameyama, Toyohisa; Yamamoto, Keiji; Hatanaka, Masayuki; Gerofi, Balazs; Shimada, Akio; Kurokawa, Motoyoshi; Shoji, Fumiyoshi; Okada, Kensuke; Sugimoto, Takashi; Yamaga, Mitsuhiro; Tanaka, Ryotaro; Yokokawa, Mitsuo; Hori, Atsushi; Ishikawa, Yutaka; Hatsui, Takaki; Go, Nobuhiro

2013-11-01

Single-particle coherent X-ray diffraction imaging using an X-ray free-electron laser has the potential to reveal the three-dimensional structure of a biological supra-molecule at sub-nanometer resolution. In order to realise this method, it is necessary to analyze as many as 1 × 10(6) noisy X-ray diffraction patterns, each for an unknown random target orientation. To cope with the severe quantum noise, patterns need to be classified according to their similarities and average similar patterns to improve the signal-to-noise ratio. A high-speed scalable scheme has been developed to carry out classification on the K computer, a 10PFLOPS supercomputer at RIKEN Advanced Institute for Computational Science. It is designed to work on the real-time basis with the experimental diffraction pattern collection at the X-ray free-electron laser facility SACLA so that the result of classification can be feedback for optimizing experimental parameters during the experiment. The present status of our effort developing the system and also a result of application to a set of simulated diffraction patterns is reported. About 1 × 10(6) diffraction patterns were successfully classificatied by running 255 separate 1 h jobs in 385-node mode.

High-speed classification of coherent X-ray diffraction patterns on the K computer for high-resolution single biomolecule imaging

PubMed Central

Tokuhisa, Atsushi; Arai, Junya; Joti, Yasumasa; Ohno, Yoshiyuki; Kameyama, Toyohisa; Yamamoto, Keiji; Hatanaka, Masayuki; Gerofi, Balazs; Shimada, Akio; Kurokawa, Motoyoshi; Shoji, Fumiyoshi; Okada, Kensuke; Sugimoto, Takashi; Yamaga, Mitsuhiro; Tanaka, Ryotaro; Yokokawa, Mitsuo; Hori, Atsushi; Ishikawa, Yutaka; Hatsui, Takaki; Go, Nobuhiro

2013-01-01

Single-particle coherent X-ray diffraction imaging using an X-ray free-electron laser has the potential to reveal the three-dimensional structure of a biological supra-molecule at sub-nanometer resolution. In order to realise this method, it is necessary to analyze as many as 1 × 106 noisy X-ray diffraction patterns, each for an unknown random target orientation. To cope with the severe quantum noise, patterns need to be classified according to their similarities and average similar patterns to improve the signal-to-noise ratio. A high-speed scalable scheme has been developed to carry out classification on the K computer, a 10PFLOPS supercomputer at RIKEN Advanced Institute for Computational Science. It is designed to work on the real-time basis with the experimental diffraction pattern collection at the X-ray free-electron laser facility SACLA so that the result of classification can be feedback for optimizing experimental parameters during the experiment. The present status of our effort developing the system and also a result of application to a set of simulated diffraction patterns is reported. About 1 × 106 diffraction patterns were successfully classificatied by running 255 separate 1 h jobs in 385-node mode. PMID:24121336

Computed Tomography Studies of Lung Mechanics

PubMed Central

Simon, Brett A.; Christensen, Gary E.; Low, Daniel A.; Reinhardt, Joseph M.

2005-01-01

The study of lung mechanics has progressed from global descriptions of lung pressure and volume relationships to the high-resolution, three-dimensional, quantitative measurement of dynamic regional mechanical properties and displacements. X-ray computed tomography (CT) imaging is ideally suited to the study of regional lung mechanics in intact subjects because of its high spatial and temporal resolution, correlation of functional data with anatomic detail, increasing volumetric data acquisition, and the unique relationship between CT density and lung air content. This review presents an overview of CT measurement principles and limitations for the study of regional mechanics, reviews some of the early work that set the stage for modern imaging approaches and impacted the understanding and management of patients with acute lung injury, and presents evolving novel approaches for the analysis and application of dynamic volumetric lung image data. PMID:16352757

«

18

19

20

21

22

»

«

19

20

21

22

23

»

Dynamic Processes in Be Star Atmospheres.. 6; Simultaneous X-Ray, Ultraviolet, and Optical Variations in lambda Eridani

NASA Technical Reports Server (NTRS)

Smith, Myron A.; Murakami, T.; Ezuka, H.; Anandarao, B. G.; Chakraborty, A.; Corcoran, M. F.; Hirata, R.

1995-01-01

This report describes a joint X ray/ultraviolet/ground based study of the abnormal Be star lambda Eri which has previously shown evidence of X ray flaring from Rosat observations in 1991. The 1991 flare event caught the astronomical hot star community by surprise because x ray flares have not been observed from other single B-type stars, before or since. Both optical (H-alpha) and UV/Voyager observations provide evidence for transient heating events near the surface of lambda Eri.

The 7BM beamline at the APS: a facility for time-resolved fluid dynamics measurements

PubMed Central

Kastengren, Alan; Powell, Christopher F.; Arms, Dohn; Dufresne, Eric M.; Gibson, Harold; Wang, Jin

2012-01-01

In recent years, X-ray radiography has been used to probe the internal structure of dense sprays with microsecond time resolution and a spatial resolution of 15 µm even in high-pressure environments. Recently, the 7BM beamline at the Advanced Photon Source (APS) has been commissioned to focus on the needs of X-ray spray radiography measurements. The spatial resolution and X-ray intensity at this beamline represent a significant improvement over previous time-resolved X-ray radiography measurements at the APS. PMID:22713903

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

PubMed Central

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

2014-01-01

Purpose: To develop an accurate and comprehensive Monte Carlo (MC) model of an experimental benchtop polychromatic cone-beam x-ray fluorescence computed tomography (XFCT) setup and apply this MC model to optimize incident x-ray spectrum for improving production/detection of x-ray fluorescence photons from gold nanoparticles (GNPs). Methods: A detailed MC model, based on an experimental XFCT system, was created using the Monte Carlo N-Particle (MCNP) transport code. The model was validated by comparing MC results including x-ray fluorescence (XRF) and scatter photon spectra with measured data obtained under identical conditions using 105 kVp cone-beam x-rays filtered by either 1 mm of lead (Pb) or 0.9 mm of tin (Sn). After validation, the model was used to investigate the effects of additional filtration of the incident beam with Pb and Sn. Supplementary incident x-ray spectra, representing heavier filtration (Pb: 2 and 3 mm; Sn: 1, 2, and 3 mm) were computationally generated and used with the model to obtain XRF/scatter spectra. Quasimonochromatic incident x-ray spectra (81, 85, 90, 95, and 100 keV with 10 keV full width at half maximum) were also investigated to determine the ideal energy for distinguishing gold XRF signal from the scatter background. Fluorescence signal-to-dose ratio (FSDR) and fluorescence-normalized scan time (FNST) were used as metrics to assess results. Results: Calculated XRF/scatter spectra for 1-mm Pb and 0.9-mm Sn filters matched (r ≥ 0.996) experimental measurements. Calculated spectra representing additional filtration for both filter materials showed that the spectral hardening improved the FSDR at the expense of requiring a much longer FNST. In general, using Sn instead of Pb, at a given filter thickness, allowed an increase of up to 20% in FSDR, more prominent gold XRF peaks, and up to an order of magnitude decrease in FNST. Simulations using quasimonochromatic spectra suggested that increasing source x-ray energy, in the investigated range of 81–100 keV, increased the FSDR up to a factor of 20, compared to 1 mm Pb, and further facilitated separation of gold XRF peaks from the scatter background. Conclusions: A detailed MC model of an experimental benchtop XFCT system has been developed and validated. In exemplary calculations to illustrate the usefulness of this model, it was shown that potential use of quasimonochromatic spectra or judicious choice of filter material/thickness to tailor the spectrum of a polychromatic x-ray source can significantly improve the performance of benchtop XFCT, while considering trade-offs between FSDR and FNST. As demonstrated, the current MC model is a reliable and powerful computational tool that can greatly expedite the further development of a benchtop XFCT system for routine preclinical molecular imaging with GNPs and other metal probes. PMID:25281958

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

PubMed

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

2014-10-01

To develop an accurate and comprehensive Monte Carlo (MC) model of an experimental benchtop polychromatic cone-beam x-ray fluorescence computed tomography (XFCT) setup and apply this MC model to optimize incident x-ray spectrum for improving production/detection of x-ray fluorescence photons from gold nanoparticles (GNPs). A detailed MC model, based on an experimental XFCT system, was created using the Monte Carlo N-Particle (MCNP) transport code. The model was validated by comparing MC results including x-ray fluorescence (XRF) and scatter photon spectra with measured data obtained under identical conditions using 105 kVp cone-beam x-rays filtered by either 1 mm of lead (Pb) or 0.9 mm of tin (Sn). After validation, the model was used to investigate the effects of additional filtration of the incident beam with Pb and Sn. Supplementary incident x-ray spectra, representing heavier filtration (Pb: 2 and 3 mm; Sn: 1, 2, and 3 mm) were computationally generated and used with the model to obtain XRF/scatter spectra. Quasimonochromatic incident x-ray spectra (81, 85, 90, 95, and 100 keV with 10 keV full width at half maximum) were also investigated to determine the ideal energy for distinguishing gold XRF signal from the scatter background. Fluorescence signal-to-dose ratio (FSDR) and fluorescence-normalized scan time (FNST) were used as metrics to assess results. Calculated XRF/scatter spectra for 1-mm Pb and 0.9-mm Sn filters matched (r ≥ 0.996) experimental measurements. Calculated spectra representing additional filtration for both filter materials showed that the spectral hardening improved the FSDR at the expense of requiring a much longer FNST. In general, using Sn instead of Pb, at a given filter thickness, allowed an increase of up to 20% in FSDR, more prominent gold XRF peaks, and up to an order of magnitude decrease in FNST. Simulations using quasimonochromatic spectra suggested that increasing source x-ray energy, in the investigated range of 81-100 keV, increased the FSDR up to a factor of 20, compared to 1 mm Pb, and further facilitated separation of gold XRF peaks from the scatter background. A detailed MC model of an experimental benchtop XFCT system has been developed and validated. In exemplary calculations to illustrate the usefulness of this model, it was shown that potential use of quasimonochromatic spectra or judicious choice of filter material/thickness to tailor the spectrum of a polychromatic x-ray source can significantly improve the performance of benchtop XFCT, while considering trade-offs between FSDR and FNST. As demonstrated, the current MC model is a reliable and powerful computational tool that can greatly expedite the further development of a benchtop XFCT system for routine preclinical molecular imaging with GNPs and other metal probes.

New Directions in X-Ray Light Sources

ScienceCinema

Falcone, Roger

2017-12-09

July 15, 2008 Berkeley Lab lecture: Molecular movies of chemical reactions and material phase transformations need a strobe of x-rays, the penetrating light that reveals how atoms and molecules assemble in chemical and biological systems and complex materials. Roger Falcone, Director of the Advanced Light Source,will discuss a new generation of x ray sources that will enable a new science of atomic dynamics on ultrafast timescales.

Three-Dimensional Multiscale Modeling of Dendritic Spacing Selection During Al-Si Directional Solidification

NASA Astrophysics Data System (ADS)

Tourret, Damien; Clarke, Amy J.; Imhoff, Seth D.; Gibbs, Paul J.; Gibbs, John W.; Karma, Alain

2015-08-01

We present a three-dimensional extension of the multiscale dendritic needle network (DNN) model. This approach enables quantitative simulations of the unsteady dynamics of complex hierarchical networks in spatially extended dendritic arrays. We apply the model to directional solidification of Al-9.8 wt.%Si alloy and directly compare the model predictions with measurements from experiments with in situ x-ray imaging. We focus on the dynamical selection of primary spacings over a range of growth velocities, and the influence of sample geometry on the selection of spacings. Simulation results show good agreement with experiments. The computationally efficient DNN model opens new avenues for investigating the dynamics of large dendritic arrays at scales relevant to solidification experiments and processes.

Effects of radiation pressure on the equipotential surfaces in X-ray binaries

NASA Technical Reports Server (NTRS)

Kondo, Y.; Mccluskey, G. E., Jr.; Gulden, S. L.

1976-01-01

Equipotential surfaces incorporating the effect of radiation pressure were computed for the X-ray binaries Cen X-3, Cyg X-1 = HDE 226868, Vela XR-1 = 3U 0900-40 = HD 77581, and 3U 1700-37 = HD 153919. The topology of the equipotential surfaces is significantly affected by radiation pressure. In particular, the so-called critical Roche (Jacobian) lobes, the traditional figure 8's, do not exist. The effects of these results on modeling X-ray binaries are discussed.

Hard disk drive based microsecond X-ray chopper for characterization of ionization chambers and photodiodes.

PubMed

Müller, O; Lützenkirchen-Hecht, D; Frahm, R

2015-03-01

A fast X-ray chopper capable of producing ms long X-ray pulses with a typical rise time of few μs was realized. It is ideally suited to investigate the temporal response of X-ray detectors with response times of the order of μs to ms, in particular, any kind of ionization chambers and large area photo diodes. The drive mechanism consists of a brushless DC motor and driver electronics from a common hard disk drive, keeping the cost at an absolute minimum. Due to its simple construction and small dimensions, this chopper operates at home lab based X-ray tubes and synchrotron radiation sources as well. The dynamics of the most important detectors used in time resolved X-ray absorption spectroscopy, namely, ionization chambers and Passivated Implanted Planar Silicon photodiodes, were investigated in detail. The results emphasize the applicability of this X-ray chopper.

X-ray Source Populations in Old Open Clusters - Collinder 261

NASA Astrophysics Data System (ADS)

Vats, Smriti

2014-11-01

We are carrying out an X-ray survey of old open clusters (OCs) with the Chandra X-ray Observatory. Single old stars emit very faint X-rays, making X-rays produced by mass transfer in CVs, or by rapid rotation of the stars in tidally-locked, detached binaries detectable, without contamination from single stars. By comparing properties of interacting binaries in different environments, we aim to study binary evolution, and how dynamical encounters with other cluster members affect it. Collinder (Cr) 261 is an old OC(~7Gyr), with one of the richest populations inferred, of close binary populations and blue stragglers of all OCs. We will present the first results, detailing the X-ray population of Cr 261, in conjugation with other OCs, and in comparison with populations in globular clusters.

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

SAVLOC, computer program for automatic control and analysis of X-ray fluorescence experiments

NASA Technical Reports Server (NTRS)

Leonard, R. F.

1977-01-01

A program for a PDP-15 computer is presented which provides for control and analysis of trace element determinations by using X-ray fluorescence. The program simultaneously handles data accumulation for one sample and analysis of data from previous samples. Data accumulation consists of sample changing, timing, and data storage. Analysis requires the locating of peaks in X-ray spectra, determination of intensities of peaks, identification of origins of peaks, and determination of a real density of the element responsible for each peak. The program may be run in either a manual (supervised) mode or an automatic (unsupervised) mode.

Three-dimensional monochromatic x-ray CT

NASA Astrophysics Data System (ADS)

Saito, Tsuneo; Kudo, Hiroyuki; Takeda, Tohoru; Itai, Yuji; Tokumori, Kenji; Toyofuku, Fukai; Hyodo, Kazuyuki; Ando, Masami; Nishimura, Ktsuyuki; Uyama, Chikao

1995-08-01

In this paper, we describe a 3D computed tomography (3D CT) using monochromatic x-rays generated by synchrotron radiation, which performs a direct reconstruction of 3D volume image of an object from its cone-beam projections. For the develpment of 3D CT, scanning orbit of x-ray source to obtain complete 3D information about an object and corresponding 3D image reconstruction algorithm are considered. Computer simulation studies demonstrate the validities of proposed scanning method and reconstruction algorithm. A prototype experimental system of 3D CT was constructed. Basic phantom examinations and specific material CT image by energy subtraction obtained in this experimental system are shown.

Development Of A Dynamic Radiographic Capability Using High-Speed Video

NASA Astrophysics Data System (ADS)

Bryant, Lawrence E.

1985-02-01

High-speed video equipment can be used to optically image up to 2,000 full frames per second or 12,000 partial frames per second. X-ray image intensifiers have historically been used to image radiographic images at 30 frames per second. By combining these two types of equipment, it is possible to perform dynamic x-ray imaging of up to 2,000 full frames per second. The technique has been demonstrated using conventional, industrial x-ray sources such as 150 Kv and 300 Kv constant potential x-ray generators, 2.5 MeV Van de Graaffs, and linear accelerators. A crude form of this high-speed radiographic imaging has been shown to be possible with a cobalt 60 source. Use of a maximum aperture lens makes best use of the available light output from the image intensifier. The x-ray image intensifier input and output fluors decay rapidly enough to allow the high frame rate imaging. Data are presented on the maximum possible video frame rates versus x-ray penetration of various thicknesses of aluminum and steel. Photographs illustrate typical radiographic setups using the high speed imaging method. Video recordings show several demonstrations of this technique with the played-back x-ray images slowed down up to 100 times as compared to the actual event speed. Typical applications include boiling type action of liquids in metal containers, compressor operation with visualization of crankshaft, connecting rod and piston movement and thermal battery operation. An interesting aspect of this technique combines both the optical and x-ray capabilities to observe an object or event with both external and internal details with one camera in a visual mode and the other camera in an x-ray mode. This allows both kinds of video images to appear side by side in a synchronized presentation.

Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode

DOE PAGES

Alonso-Mori, Roberto; Kern, Jan; Gildea, Richard J.; ...

2012-11-05

The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this “probe-before-destroy” approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as wellmore » as the ligand environment, critical for understanding the functional role of redox-active metal sites. Kβ 1,3 XES spectra of Mn II and Mn 2 III,IV complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to >100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. Furthermore, the technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II.« less

Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode

PubMed Central

Alonso-Mori, Roberto; Kern, Jan; Gildea, Richard J.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Lassalle-Kaiser, Benedikt; Tran, Rosalie; Hattne, Johan; Laksmono, Hartawan; Hellmich, Julia; Glöckner, Carina; Echols, Nathaniel; Sierra, Raymond G.; Schafer, Donald W.; Sellberg, Jonas; Kenney, Christopher; Herbst, Ryan; Pines, Jack; Hart, Philip; Herrmann, Sven; Grosse-Kunstleve, Ralf W.; Latimer, Matthew J.; Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Zwart, Petrus H.; White, William E.; Adams, Paul D.; Bogan, Michael J.; Boutet, Sébastien; Williams, Garth J.; Zouni, Athina; Messinger, Johannes; Glatzel, Pieter; Sauter, Nicholas K.; Yachandra, Vittal K.; Yano, Junko; Bergmann, Uwe

2012-01-01

The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this “probe-before-destroy” approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as well as the ligand environment, critical for understanding the functional role of redox-active metal sites. Kβ1,3 XES spectra of MnII and Mn2III,IV complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to >100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. The technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II. PMID:23129631

77 FR 12848 - Medicare Program; Solicitation of Independent Accrediting Organizations To Participate in the...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-02

...)(4)(B) (excluding x-ray, ultrasound, and fluoroscopy), as specified by the Secretary in consultation... imaging services as ``imaging and computer-assisted imaging services, including x-ray, ultrasound...

The application of x-ray, computed tomography, and magnetic resonance imaging on 22 pediatric Langerhans cell histiocytosis patients with long bone involvement: A retrospective analysis.

PubMed

Zhang, Xiaojun; Zhou, Jing; Chai, Xuee; Chen, Guiling; Guo, Bin; Ni, Lei; Wu, Peng

2018-04-01

The studies focusing on x-ray, computed tomography (CT), and magnetic resonance imaging (MRI) in pediatric Langerhans cell histiocytosis (LCH) patients were still rare. Therefore, we aimed to evaluate the application of x-ray, CT, and MRI in pediatric LCH patients with long bone involvement.Total 22 pediatric LCH patients were included in this study. The diagnosis of LCH was confirmed by pathological examination. All patients were followed up for 3 years. X-ray, CT, or MRI was performed and the results were recorded for further analyses.Among 22 pediatric patients, x-ray (n = 20), CT (n = 18), or MRI (n = 12) were used to scan the lesion on long bones affected by LCH. Femurs (n = 13, 38.24%), tibia (n = 11, 32.35%), humerus (n = 5, 14.71%), and radius (n = 4, 11.76%) were the most frequently affected anatomic sites. Ovoid or round radiolucent lesions, aggressive periosteal reaction, and swelling of surrounding soft tissues were characteristic image of long bones on x-ray, CT, and MRI in pediatric LCH.Femurs, tibia, humerus, and radius were the most commonly affected long bones of pediatric LCH. The application of x-ray, CT, and MRI on long bones could help with the diagnosis of pediatric LCH.

CONTIN XPCS: software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics

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

Andrews, Ross N.; Narayanan, Suresh; Zhang, Fan

X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) reveal materials dynamics using coherent scattering, with XPCS permitting the investigation of dynamics in a more diverse array of materials than DLS. Heterogeneous dynamics occur in many material systems. The authors' recent work has shown how classic tools employed in the DLS analysis of heterogeneous dynamics can be extended to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. The present work describes the software implementation of inverse transform analysis of XPCS data. This software, calledCONTIN XPCS, is an extension of traditionalCONTINanalysis and accommodates the various dynamics encountered inmore » equilibrium XPCS measurements.« less

CONTIN XPCS: software for inverse transform analysis of X-ray photon correlation spectroscopy dynamics

DOE PAGES

Andrews, Ross N.; Narayanan, Suresh; Zhang, Fan; ...

2018-02-01

X-ray photon correlation spectroscopy (XPCS) and dynamic light scattering (DLS) reveal materials dynamics using coherent scattering, with XPCS permitting the investigation of dynamics in a more diverse array of materials than DLS. Heterogeneous dynamics occur in many material systems. The authors' recent work has shown how classic tools employed in the DLS analysis of heterogeneous dynamics can be extended to XPCS, revealing additional information that conventional Kohlrausch exponential fitting obscures. The present work describes the software implementation of inverse transform analysis of XPCS data. This software, calledCONTIN XPCS, is an extension of traditionalCONTINanalysis and accommodates the various dynamics encountered inmore » equilibrium XPCS measurements.« less

«

19

20

21

22

23

»

«

20

21

22

23

24

»

From Relativistic Electrons to X-ray Phase Contrast Imaging

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

Lumpkin, A. H.; Garson, A. B.; Anastasio, M. A.

2017-10-09

We report the initial demonstrations of the use of single crystals in indirect x-ray imaging for x-ray phase contrast imaging at the Washington University in St. Louis Computational Bioimaging Laboratory (CBL). Based on single Gaussian peak fits to the x-ray images, we observed a four times smaller system point spread function (21 μm (FWHM)) with the 25-mm diameter single crystals than the reference polycrystalline phosphor’s 80-μm value. Potential fiber-optic plate depth-of-focus aspects and 33-μm diameter carbon fiber imaging are also addressed.

Investigating radiation induced damage processes with femtosecond x-ray pulses (Conference Presentation)

NASA Astrophysics Data System (ADS)

Song, Changyong

2017-05-01

Interest in high-resolution structure investigation has been zealous, especially with the advent of X-ray free electron lasers (XFELs). The intense and ultra-short X-ray laser pulses ( 10 GW) pave new routes to explore structures and dynamics of single macromolecules, functional nanomaterials and complex electronic materials. In the last several years, we have developed XFEL single-shot diffraction imaging by probing ultrafast phase changes directly. Pump-probe single-shot imaging was realized by synchronizing femtosecond (<10 fs in FWHM) X-ray laser (probe) with femtosecond (50 fs) IR laser (pump) at better than 1 ps resolution. Nanoparticles under intense fs-laser pulses were investigated with fs XFEL pulses to provide insight into the irreversible particle damage processes with nanoscale resolution. Research effort, introduced, aims to extend the current spatio-temporal resolution beyond the present limit. We expect this single-shot dynamic imaging to open new science opportunity with XFELs.

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

Reprint of: Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

DOE PAGES

Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; ...

2016-11-01

An improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here in this paper, we present relevant background on this emerging suite of techniques. We focus on how the combination ofmore » theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.« less

Combining theory and experiment for X-ray absorption spectroscopy and resonant X-ray scattering characterization of polymers

DOE PAGES

Su, Gregory M.; Cordova, Isvar A.; Brady, Michael A.; ...

2016-07-04

We present that an improved understanding of fundamental chemistry, electronic structure, morphology, and dynamics in polymers and soft materials requires advanced characterization techniques that are amenable to in situ and operando studies. Soft X-ray methods are especially useful in their ability to non-destructively provide information on specific materials or chemical moieties. Analysis of these experiments, which can be very dependent on X-ray energy and polarization, can quickly become complex. Complementary modeling and predictive capabilities are required to properly probe these critical features. Here, we present relevant background on this emerging suite of techniques. Finally, we focus on how the combinationmore » of theory and experiment has been applied and can be further developed to drive our understanding of how these methods probe relevant chemistry, structure, and dynamics in soft materials.« less

Soft X-ray spectromicroscopy using ptychography with randomly phased illumination

NASA Astrophysics Data System (ADS)

Maiden, A. M.; Morrison, G. R.; Kaulich, B.; Gianoncelli, A.; Rodenburg, J. M.

2013-04-01

Ptychography is a form of scanning diffractive imaging that can successfully retrieve the modulus and phase of both the sample transmission function and the illuminating probe. An experimental difficulty commonly encountered in diffractive imaging is the large dynamic range of the diffraction data. Here we report a novel ptychographic experiment using a randomly phased X-ray probe to considerably reduce the dynamic range of the recorded diffraction patterns. Images can be reconstructed reliably and robustly from this setup, even when scatter from the specimen is weak. A series of ptychographic reconstructions at X-ray energies around the L absorption edge of iron demonstrates the advantages of this method for soft X-ray spectromicroscopy, which can readily provide chemical sensitivity without the need for optical refocusing. In particular, the phase signal is in perfect registration with the modulus signal and provides complementary information that can be more sensitive to changes in the local chemical environment.

The fluid dynamics of microjet explosions caused by extremely intense X-ray pulses

NASA Astrophysics Data System (ADS)

Stan, Claudiu; Laksmono, Hartawan; Sierra, Raymond; Milathianaki, Despina; Koglin, Jason; Messerschmidt, Marc; Williams, Garth; Demirci, Hasan; Botha, Sabine; Nass, Karol; Stone, Howard; Schlichting, Ilme; Shoeman, Robert; Boutet, Sebastien

2014-11-01

Femtosecond X-ray scattering experiments at free-electron laser facilities typically requires liquid jet delivery methods to bring samples to the region of interaction with X-rays. We have imaged optically the damage process in water microjets due to intense hard X-ray pulses at the Linac Coherent Light Source (LCLS), using time-resolved imaging techniques to record movies at rates up to half a billion frames per second. For pulse energies larger than a few percent of the maximum pulse energy available at LCLS, the X-rays deposit energies much larger than the latent heat of vaporization in water, and induce a phase explosion that opens a gap in the jet. The LCLS pulses last a few tens of femtoseconds, but the full evolution of the broken jet is orders of magnitude slower - typically in the microsecond range - due to complex fluid dynamics processes triggered by the phase explosion. Although the explosion results in a complex sequence of phenomena, they lead to an approximately self-similar flow of the liquid in the jet.

A cost effective and high fidelity fluoroscopy simulator using the Image-Guided Surgery Toolkit (IGSTK)

NASA Astrophysics Data System (ADS)

Gong, Ren Hui; Jenkins, Brad; Sze, Raymond W.; Yaniv, Ziv

2014-03-01

The skills required for obtaining informative x-ray fluoroscopy images are currently acquired while trainees provide clinical care. As a consequence, trainees and patients are exposed to higher doses of radiation. Use of simulation has the potential to reduce this radiation exposure by enabling trainees to improve their skills in a safe environment prior to treating patients. We describe a low cost, high fidelity, fluoroscopy simulation system. Our system enables operators to practice their skills using the clinical device and simulated x-rays of a virtual patient. The patient is represented using a set of temporal Computed Tomography (CT) images, corresponding to the underlying dynamic processes. Simulated x-ray images, digitally reconstructed radiographs (DRRs), are generated from the CTs using ray-casting with customizable machine specific imaging parameters. To establish the spatial relationship between the CT and the fluoroscopy device, the CT is virtually attached to a patient phantom and a web camera is used to track the phantom's pose. The camera is mounted on the fluoroscope's intensifier and the relationship between it and the x-ray source is obtained via calibration. To control image acquisition the operator moves the fluoroscope as in normal operation mode. Control of zoom, collimation and image save is done using a keypad mounted alongside the device's control panel. Implementation is based on the Image-Guided Surgery Toolkit (IGSTK), and the use of the graphics processing unit (GPU) for accelerated image generation. Our system was evaluated by 11 clinicians and was found to be sufficiently realistic for training purposes.

INTERNATIONAL CONFERENCE ON ULTRASHORT HIGH-ENERGY RADIATION AND MATTER

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

Wootton, A J

2004-01-15

The workshop is intended as a forum to discuss the latest experimental, theoretical and computational results related to the interaction of high energy radiation with matter. High energy is intended to mean soft x-ray and beyond, but important new results from visible systems will be incorporated. The workshop will be interdisciplinary amongst scientists from many fields, including: plasma physics; x-ray physics and optics; solid state physics and material science; biology ; quantum optics. Topics will include, among other subjects: understanding damage thresholds for x-ray interactions with matter developing {approx} 5 keV x-ray sources to investigate damage; developing {approx} 100 keVmore » Thomsom sources for material studies; developing short pulse (100 fs and less) x-ray diagnostics; developing novel X-ray optics; and developing models for the response of biological samples to ultra intense, sub ps x-rays high-energy radiation.« less

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 ( z = 0.902)

DOE PAGES

Tholken, Sophia; Schrabback, Tim; Reiprich, Thomas H.; ...

2018-03-05

Here, observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased.

SEXTANT - Station Explorer for X-Ray Timing and Navigation Technology

NASA Technical Reports Server (NTRS)

Mitchell, Jason; Hasouneh, Monther; Winternitz, Luke; Valdez, Jennifer; Price, Sam; Semper, Sean; Yu, Wayne; Gaebler, John; Ray, Paul; Wood, Kent;

2015-01-01

The Station Explorer for X-ray Timing and Navigation Technology (SEXTANT) is a NASA funded technology- demonstration. SEXTANT will, for the first time, demonstrate real-time, on-board X-ray Pulsar-based Navigation (XNAV), a significant milestone in the quest to establish a GPS-like navigation capability available throughout our Solar System and beyond. This paper describes the basic design of the SEXTANT system with a focus on core models and algorithms, and the design and continued development of the GSFC X-ray Navigation Laboratory Testbed (GXLT) with its dynamic pulsar emulation capability. We also present early results from GXLT modeling of the combined NICER X-ray timing instrument hardware and SEXTANT flight software algorithms.

X-ray ptychography using randomized zone plates

DOE PAGES

Morrison, G. R.; Zhang, F.; Robinson, Ian K.; ...

2018-05-31

We have developed a randomized grating condenser zone plate (GCZP) that provides a μm-scale probe for use in x-ray ptychography. This delivers a significantly better x-ray throughput than probes defined by pinhole apertures, while providing a clearly-defined level of phase diversity to the illumination on the sample, and helping to reduce the dynamic range of the detected signal by spreading the zero-order light over an extended area of the detector. The first use of this novel x-ray optical element has been demonstrated successfully for both amplitude and phase contrast imaging using soft x-rays on the TwinMic beamline at the Elettramore » synchrotron.« less

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 ( z = 0.902)

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

Tholken, Sophia; Schrabback, Tim; Reiprich, Thomas H.

Here, observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased.

X-ray ptychography using randomized zone plates

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

Morrison, G. R.; Zhang, F.; Robinson, Ian K.

We have developed a randomized grating condenser zone plate (GCZP) that provides a μm-scale probe for use in x-ray ptychography. This delivers a significantly better x-ray throughput than probes defined by pinhole apertures, while providing a clearly-defined level of phase diversity to the illumination on the sample, and helping to reduce the dynamic range of the detected signal by spreading the zero-order light over an extended area of the detector. The first use of this novel x-ray optical element has been demonstrated successfully for both amplitude and phase contrast imaging using soft x-rays on the TwinMic beamline at the Elettramore » synchrotron.« less

X-ray Pulsar Navigation Algorithms and Testbed for SEXTANT

NASA Technical Reports Server (NTRS)

Winternitz, Luke M. B.; Hasouneh, Monther A.; Mitchell, Jason W.; Valdez, Jennifer E.; Price, Samuel R.; Semper, Sean R.; Yu, Wayne H.; Ray, Paul S.; Wood, Kent S.; Arzoumanian, Zaven;

2015-01-01

The Station Explorer for X-ray Timing and Navigation Technology (SEXTANT) is a NASA funded technologydemonstration. SEXTANT will, for the first time, demonstrate real-time, on-board X-ray Pulsar-based Navigation (XNAV), a significant milestone in the quest to establish a GPS-like navigation capability available throughout our Solar System and beyond. This paper describes the basic design of the SEXTANT system with a focus on core models and algorithms, and the design and continued development of the GSFC X-ray Navigation Laboratory Testbed (GXLT) with its dynamic pulsar emulation capability. We also present early results from GXLT modeling of the combined NICER X-ray timing instrument hardware and SEXTANT flight software algorithms.

Time-dependent nonequilibrium soft x-ray response during a spin crossover

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

van Veenendaal, Michel

The rapid development of high-brilliance pulsed X-ray sources with femtosecond time resolution has created a need for a better theoretical understanding of the time-dependent soft-X-ray response of dissipative many-body quantum systems. It is demonstrated how soft-X-ray spectroscopies, such as X-ray absorption and resonant inelastic X-ray scattering at transition-metal L-edges, can provide insight into intersystem crossings, such as a spin crossover. The photoinduced doublet-to-quartet spin crossover on cobalt in Fe-Co Prussian blue analogues is used as an example to demonstrate how the X-ray response is affected by the dissipative nonequilibrium dynamics. The time-dependent soft-X-ray spectra provide a wealth of information thatmore » reflect the changes in the nonequilibrium initial state via continuously changing spectral lineshapes that cannot be decomposed into initial photoexcited and final metastable spectra, strong broadenings, a collapse of clear selection rules during the intersystem crossing, strong fluctuations in the isotropic branching ratio in X-ray absorption, and crystal-field collapse/oscillations and strongly time-dependent anti-Stokes processes in RIXS.« less

X-ray astrophysics: Constraining thermal conductivity in intracluster gas in clusters of galaxies and placing limits on progenitor systems of Type Ia supernovae

NASA Astrophysics Data System (ADS)

Russell, Brock Richard

X-ray astrophysics provides a great many opportunities to study astronomical structures with large energies or high temperatures. This dissertation will describe two such applications: the use of Swift X-ray Telescope (XRT) data to analyze the interaction between a supernova shock and the circumstellar medium, and the use of a straightforward computer simulation to model the dynamics of intracluster gas in clusters of galaxies and constrain the thermal conduction coefficient. Stars emit stellar wind at varying rates throughout their lifetimes. This wind populates the circumstellar medium (CSM) with gas. When the supernova explodes, the shock wave propogates outward through this CSM and heats it to X-ray emitting temperatures. By analyzing X-ray observations of the immediate post-supernova environment, we are able to determine whether any significant CSM is present. By stacking a large number of Swift observations of SNe Ia, we increase the sensitivity. We find no X-rays, with an upper limit of 1.7 x 1038 erg s-1 and a 3 sigma upper limit on the mass loss rate of progenitor systems 1.1 x 10-6 solar masses per year x (vw)/(10 km s -1). This low upper limit precludes a massive progenitor as the binary companion in the supernova progenitor system, unless that star is in Roche lobe overflow. The hot Intracluster Medium (ICM) is composed of tenuous gas which is gravitationally-bound to the cluster of galaxies. This gas is not initially of uniform temperature, and experiences thermal conduction while maintaining hydrostatic equilibrium. However, magnetic field lines present in the ionized gas inhibit the full thermal conduction. In this dissertation, we present the results of a new one-dimensional simulation that models this conduction (and includes cooling while maintaining hydrostatic equilibrium). By comparing the results of this model with the observed gas temperature profiles and recent accurate constraints on the scatter of the gas fraction, we are able to constrain the thermal conductivity. Our results suggest that conduction factors are not higher than 10% of full Spitzer conduction for hot, relaxed clusters.

X-ray studies of coeval star samples. II - The Pleiades cluster as observed with the Einstein Observatory

NASA Technical Reports Server (NTRS)

Micela, G.; Sciortino, S.; Vaiana, G. S.; Harnden, F. R., Jr.; Rosner, R.

1990-01-01

Coronal X-ray emission of the Pleiades stars is investigated, and maximum likelihood, integral X-ray luminosity functions are computed for Pleiades members in selected color-index ranges. A detailed search is conducted for long-term variability in the X-ray emission of those stars observed more than once. An overall comparison of the survey results with those of previous surveys confirms the ubiquity of X-ray emission in the Pleiades cluster stars and its higher rate of emission with respect to older stars. It is found that the X-ray emission from dA and early dF stars cannot be proven to be dissimilar to that of Hyades and field stars of the same spectral type. The Pleiades cluster members show a real rise of the X-ray luminosity from dA stars to early dF stars. X-ray emission for the young, solarlike Pleiades stars is about two orders of magnitude more intense than for the nearby solarlike stars.

Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

NASA Astrophysics Data System (ADS)

Schäfer, Julia M.; Inhester, Ludger; Son, Sang-Kil; Fink, Reinhold F.; Santra, Robin

2018-05-01

With the highly intense x-ray light generated by x-ray free-electron lasers (XFELs), molecular samples can be ionized many times in a single pulse. Here we report on a computational study of molecular spectroscopy at the high x-ray intensity provided by XFELs. Calculated photoelectron, Auger electron, and x-ray fluorescence spectra are presented for a single water molecule that reaches many electronic hole configurations through repeated ionization steps. The rich details shown in the spectra depend on the x-ray pulse parameters in a nonintuitive way. We discuss how the observed trends can be explained by the competition of microscopic electronic transition processes. A detailed comparison between spectra calculated within the independent-atom model and within the molecular-orbital framework highlights the chemical sensitivity of the spectral lines of multiple-hole configurations. Our results demonstrate how x-ray multiphoton ionization-related effects such as charge-rearrangement-enhanced x-ray ionization of molecules and frustrated absorption manifest themselves in the electron and fluorescence spectra.

Tomographic image reconstruction using x-ray phase information

NASA Astrophysics Data System (ADS)

Momose, Atsushi; Takeda, Tohoru; Itai, Yuji; Hirano, Keiichi

1996-04-01

We have been developing phase-contrast x-ray computed tomography (CT) to make possible the observation of biological soft tissues without contrast enhancement. Phase-contrast x-ray CT requires for its input data the x-ray phase-shift distributions or phase-mapping images caused by an object. These were measured with newly developed fringe-scanning x-ray interferometry. Phase-mapping images at different projection directions were obtained by rotating the object in an x-ray interferometer, and were processed with a standard CT algorithm. A phase-contrast x-ray CT image of a nonstained cancerous tissue was obtained using 17.7 keV synchrotron x rays with 12 micrometer voxel size, although the size of the observation area was at most 5 mm. The cancerous lesions were readily distinguishable from normal tissues. Moreover, fine structures corresponding to cancerous degeneration and fibrous tissues were clearly depicted. It is estimated that the present system is sensitive down to a density deviation of 4 mg/cm3.

«

20

21

22

23

24

»

«

21

22

23

24

25

»

15Mcps photon-counting X-ray computed tomography system using a ZnO-MPPC detector and its application to gadolinium imaging.

PubMed

Sato, Eiichi; Sugimura, Shigeaki; Endo, Haruyuki; Oda, Yasuyuki; Abudurexiti, Abulajiang; Hagiwara, Osahiko; Osawa, Akihiro; Matsukiyo, Hiroshi; Enomoto, Toshiyuki; Watanabe, Manabu; Kusachi, Shinya; Sato, Shigehiro; Ogawa, Akira; Onagawa, Jun

2012-01-01

15Mcps photon-counting X-ray computed tomography (CT) system is a first-generation type and consists of an X-ray generator, a turntable, a translation stage, a two-stage controller, a detector consisting of a 2mm-thick zinc-oxide (ZnO) single-crystal scintillator and an MPPC (multipixel photon counter) module, a counter card (CC), and a personal computer (PC). High-speed photon counting was carried out using the detector in the X-ray CT system. The maximum count rate was 15Mcps (mega counts per second) at a tube voltage of 100kV and a tube current of 1.95mA. Tomography is accomplished by repeated translations and rotations of an object, and projection curves of the object are obtained by the translation. The pulses of the event signal from the module are counted by the CC in conjunction with the PC. The minimum exposure time for obtaining a tomogram was 15min, and photon-counting CT was accomplished using gadolinium-based contrast media. Copyright © 2011 Elsevier Ltd. All rights reserved.

X-ray system simulation software tools for radiology and radiography education.

PubMed

Kengyelics, Stephen M; Treadgold, Laura A; Davies, Andrew G

2018-02-01

To develop x-ray simulation software tools to support delivery of radiological science education for a range of learning environments and audiences including individual study, lectures, and tutorials. Two software tools were developed; one simulated x-ray production for a simple two dimensional radiographic system geometry comprising an x-ray source, beam filter, test object and detector. The other simulated the acquisition and display of two dimensional radiographic images of complex three dimensional objects using a ray casting algorithm through three dimensional mesh objects. Both tools were intended to be simple to use, produce results accurate enough to be useful for educational purposes, and have an acceptable simulation time on modest computer hardware. The radiographic factors and acquisition geometry could be altered in both tools via their graphical user interfaces. A comparison of radiographic contrast measurements of the simulators to a real system was performed. The contrast output of the simulators had excellent agreement with measured results. The software simulators were deployed to 120 computers on campus. The software tools developed are easy-to-use, clearly demonstrate important x-ray physics and imaging principles, are accessible within a standard University setting and could be used to enhance the teaching of x-ray physics to undergraduate students. Current approaches to teaching x-ray physics in radiological science lack immediacy when linking theory with practice. This method of delivery allows students to engage with the subject in an experiential learning environment. Copyright © 2017. Published by Elsevier Ltd.

Results from the first flight of the Focusing Optics X-ray Solar Imager (FOXSI) sounding rocket

NASA Astrophysics Data System (ADS)

Glesener, Lindsay; Christe, S.; Ishikawa, S.; Ramsey, B.; Takahashi, T.; Watanabe, S.; Saito, S.; Lin, R. P.; Krucker, S.; FOXSI Team

2013-07-01

Understanding electron acceleration in solar flares requires X-ray studies with greater sensitivity and dynamic range than are available with current solar hard X-ray observers (i.e. the RHESSI spacecraft). RHESSI employs an indirect Fourier imaging method that is intrinsically limited in dynamic range and therefore can rarely image faint coronal flare sources in the presence of bright footpoints. With greater sensitivity and dynamic range, electron acceleration sites in the corona could be studied in great detail. Both these capabilities can be advanced by the use of direct focusing optics. The recently flown Focusing Optics X-ray Solar Imager (FOXSI) sounding rocket payload demonstrates the feasibility and usefulness of hard X-ray focusing optics for solar study. FOXSI features grazing-incidence replicated nickel optics from the NASA Marshall Space Flight Center and fine-pitch silicon strip detectors developed by the Astro-H team at JAXA/ISAS. FOXSI flew successfully on November 2, 2012, producing images and spectra of a microflare and performing a search for nonthermal emission (4-15 keV) from nanoflares in the quiet Sun. Nanoflares are a candidate for providing the required energy to heat the solar corona to its high temperature of a few million degrees. A future satellite version of FOXSI, featuring similar optics and detectors, could make detailed observations of hard X-rays from flare-accelerated electrons, identifying and characterizing particle acceleration sites and mapping out paths of energetic electrons as they leave these sites and propagate throughout the solar corona.

X-ray studies of dynamic aging in an aluminum alloy subjected to severe plastic deformation

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

Sitdikov, V.D., E-mail: svil@mail.rb.ru; Laboratory for Mechanics of Bulk Nanomaterials, Saint Petersburg State University, 28 Universitetsky pr., Saint Petersburg 198504; Chizhov, P.S.

In this work, X-ray scattering methods were applied for a quantitative characterization of the microstructure of an aluminum alloy of the Al–Mg–Si system during dynamic aging realized through the high pressure torsion technique. A qualitative and quantitative phase analysis of the alloy was performed, together with Al alloy lattice parameter determination. From the reflections broadening the effective size of the coherent scattering domains and the lattice microstrain were determined in the framework of the Halder–Wagner approach. Using the method of small-angle X-ray scattering, the quantitative characteristics of the size, shape and spatial distribution of the secondary phase particles formed inmore » the Al alloy during dynamic aging were established. In order to validate the obtained results, the method of small-angle X-ray scattering was preliminarily tested on similar samples after artificial aging and compared with the results from small-angle neutron diffraction widely known in literature. - Highlights: • Spherical fcc β-Mg2Si precipitates formed in Al 6201 alloy during dynamic aging in the course of severe plastic deformation. • The size, shape and distribution of the precipitates due to artificial and dynamic aging were revealed by SAXS method. • Monoclinic needle-like β' precipitates and Al5FeSi intermetallic phase were detected in 6201 alloy after T6 treatment.« less

Development of variable-magnification X-ray Bragg optics.

PubMed

Hirano, Keiichi; Yamashita, Yoshiki; Takahashi, Yumiko; Sugiyama, Hiroshi

2015-07-01

A novel X-ray Bragg optics is proposed for variable-magnification of an X-ray beam. This X-ray Bragg optics is composed of two magnifiers in a crossed arrangement, and the magnification factor, M, is controlled through the azimuth angle of each magnifier. The basic properties of the X-ray optics such as the magnification factor, image transformation matrix and intrinsic acceptance angle are described based on the dynamical theory of X-ray diffraction. The feasibility of the variable-magnification X-ray Bragg optics was verified at the vertical-wiggler beamline BL-14B of the Photon Factory. For X-ray Bragg magnifiers, Si(220) crystals with an asymmetric angle of 14° were used. The magnification factor was calculated to be tunable between 0.1 and 10.0 at a wavelength of 0.112 nm. At various magnification factors (M ≥ 1.0), X-ray images of a nylon mesh were observed with an air-cooled X-ray CCD camera. Image deformation caused by the optics could be corrected by using a 2 × 2 transformation matrix and bilinear interpolation method. Not only absorption-contrast but also edge-contrast due to Fresnel diffraction was observed in the magnified images.

A tetrahedron beam computed tomography benchtop system with a multiple pixel field emission x-ray tube

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

Xu, Xiaochao; Kim, Joshua; Laganis, Philip

2011-10-15

Purpose: To demonstrate the feasibility of Tetrahedron Beam Computed Tomography (TBCT) using a carbon nanotube (CNT) multiple pixel field emission x-ray (MPFEX) tube. Methods: A multiple pixel x-ray source facilitates the creation of novel x-ray imaging modalities. In a previous publication, the authors proposed a Tetrahedron Beam Computed Tomography (TBCT) imaging system which comprises a linear source array and a linear detector array that are orthogonal to each other. TBCT is expected to reduce scatter compared with Cone Beam Computed Tomography (CBCT) and to have better detector performance. Therefore, it may produce improved image quality for image guided radiotherapy. Inmore » this study, a TBCT benchtop system has been developed with an MPFEX tube. The tube has 75 CNT cold cathodes, which generate 75 x-ray focal spots on an elongated anode, and has 4 mm pixel spacing. An in-house-developed, 5-row CT detector array using silicon photodiodes and CdWO{sub 4} scintillators was employed in the system. Hardware and software were developed for tube control and detector data acquisition. The raw data were preprocessed for beam hardening and detector response linearity and were reconstructed with an FDK-based image reconstruction algorithm. Results: The focal spots were measured at about 1 x 2 mm{sup 2} using a star phantom. Each cathode generates around 3 mA cathode current with 2190 V gate voltage. The benchtop system is able to perform TBCT scans with a prolonged scanning time. Images of a commercial CT phantom were successfully acquired. Conclusions: A prototype system was developed, and preliminary phantom images were successfully acquired. MPFEX is a promising x-ray source for TBCT. Further improvement of tube output is needed in order for it to be used in clinical TBCT systems.« less

Simultaneous fits in ISIS on the example of GRO J1008-57

NASA Astrophysics Data System (ADS)

Kühnel, Matthias; Müller, Sebastian; Kreykenbohm, Ingo; Schwarm, Fritz-Walter; Grossberger, Christoph; Dauser, Thomas; Pottschmidt, Katja; Ferrigno, Carlo; Rothschild, Richard E.; Klochkov, Dmitry; Staubert, Rüdiger; Wilms, Joern

2015-04-01

Parallel computing and steadily increasing computation speed have led to a new tool for analyzing multiple datasets and datatypes: fitting several datasets simultaneously. With this technique, physically connected parameters of individual data can be treated as a single parameter by implementing this connection into the fit directly. We discuss the terminology, implementation, and possible issues of simultaneous fits based on the X-ray data analysis tool Interactive Spectral Interpretation System (ISIS). While all data modeling tools in X-ray astronomy allow in principle fitting data from multiple data sets individually, the syntax used in these tools is not often well suited for this task. Applying simultaneous fits to the transient X-ray binary GRO J1008-57, we find that the spectral shape is only dependent on X-ray flux. We determine time independent parameters such as, e.g., the folding energy E_fold, with unprecedented precision.

Multi-Mounted X-Ray Computed Tomography.

PubMed

Fu, Jian; Liu, Zhenzhong; Wang, Jingzheng

2016-01-01

Most existing X-ray computed tomography (CT) techniques work in single-mounted mode and need to scan the inspected objects one by one. It is time-consuming and not acceptable for the inspection in a large scale. In this paper, we report a multi-mounted CT method and its first engineering implementation. It consists of a multi-mounted scanning geometry and the corresponding algebraic iterative reconstruction algorithm. This approach permits the CT rotation scanning of multiple objects simultaneously without the increase of penetration thickness and the signal crosstalk. Compared with the conventional single-mounted methods, it has the potential to improve the imaging efficiency and suppress the artifacts from the beam hardening and the scatter. This work comprises a numerical study of the method and its experimental verification using a dataset measured with a developed multi-mounted X-ray CT prototype system. We believe that this technique is of particular interest for pushing the engineering applications of X-ray CT.

Influence of solar flares on the X-ray corona

NASA Technical Reports Server (NTRS)

Rust, D. M.; Batchelor, D. A.

1986-01-01

Sequences of X-ray images of solar flares, obtained with the Hard X-ray Imaging Spectrometer on the SMM spacecraft, reveal many dynamical phenomena. Movies of 20 flares recorded with 6-sec time resolution were examined. A preliminary analysis of the events as a group are presented, and some new aspects of the well-studied May 21, 1980 flare and a November 6, 1980 flare are discussed.

X-ray laser–induced electron dynamics observed by femtosecond diffraction from nanocrystals of Buckminsterfullerene

PubMed Central

Abbey, Brian; Dilanian, Ruben A.; Darmanin, Connie; Ryan, Rebecca A.; Putkunz, Corey T.; Martin, Andrew V.; Wood, David; Streltsov, Victor; Jones, Michael W. M.; Gaffney, Naylyn; Hofmann, Felix; Williams, Garth J.; Boutet, Sébastien; Messerschmidt, Marc; Seibert, M. Marvin; Williams, Sophie; Curwood, Evan; Balaur, Eugeniu; Peele, Andrew G.; Nugent, Keith A.; Quiney, Harry M.

2016-01-01

X-ray free-electron lasers (XFELs) deliver x-ray pulses with a coherent flux that is approximately eight orders of magnitude greater than that available from a modern third-generation synchrotron source. The power density of an XFEL pulse may be so high that it can modify the electronic properties of a sample on a femtosecond time scale. Exploration of the interaction of intense coherent x-ray pulses and matter is both of intrinsic scientific interest and of critical importance to the interpretation of experiments that probe the structures of materials using high-brightness femtosecond XFEL pulses. We report observations of the diffraction of extremely intense 32-fs nanofocused x-ray pulses by a powder sample of crystalline C60. We find that the diffraction pattern at the highest available incident power significantly differs from the one obtained using either third-generation synchrotron sources or XFEL sources operating at low output power and does not correspond to the diffraction pattern expected from any known phase of crystalline C60. We interpret these data as evidence of a long-range, coherent dynamic electronic distortion that is driven by the interaction of the periodic array of C60 molecular targets with intense x-ray pulses of femtosecond duration. PMID:27626076

X-ray tomographic image magnification process, system and apparatus therefor

DOEpatents

Kinney, J.H.; Bonse, U.K.; Johnson, Q.C.; Nichols, M.C.; Saroyan, R.A.; Massey, W.N.; Nusshardt, R.

1993-09-14

A computerized three-dimensional x-ray tomographic microscopy system is disclosed, comprising: (a) source means for providing a source of parallel x-ray beams, (b) staging means for staging and sequentially rotating a sample to be positioned in the path of the (c) x-ray image magnifier means positioned in the path of the beams downstream from the sample, (d) detecting means for detecting the beams after being passed through and magnified by the image magnifier means, and (e) computing means for analyzing values received from the detecting means, and converting the values into three-dimensional representations. Also disclosed is a process for magnifying an x-ray image, and apparatus therefor. 25 figures.

X-ray tomographic image magnification process, system and apparatus therefor

DOEpatents

Kinney, John H.; Bonse, Ulrich K.; Johnson, Quintin C.; Nichols, Monte C.; Saroyan, Ralph A.; Massey, Warren N.; Nusshardt, Rudolph

1993-01-01

A computerized three-dimensional x-ray tomographic microscopy system is disclosed, comprising: a) source means for providing a source of parallel x-ray beams, b) staging means for staging and sequentially rotating a sample to be positioned in the path of the c) x-ray image magnifier means positioned in the path of the beams downstream from the sample, d) detecting means for detecting the beams after being passed through and magnified by the image magnifier means, and e) computing means for analyzing values received from the detecting means, and converting the values into three-dimensional representations. Also disclosed is a process for magnifying an x-ray image, and apparatus therefor.

Characteristics of a ceramic-substrate x-ray diode and its application to computed tomography

NASA Astrophysics Data System (ADS)

Watanabe, Manabu; Sato, Eiichi; Kodama, Hajime; Hagiwara, Osahiko; Matsukiyo, Hiroshi; Osawa, Akihiro; Enomoto, Toshiyuki; Kusachi, Shinya; Sato, Shigehiro; Ogawa, Akira

2013-09-01

X-ray photon counting was performed using a silicon X-ray diode (Si-XD) at a tube current of 2.0 mA and tube voltages ranging from 50 to 70 kV. The Si-XD is a high-sensitivity Si photodiode selected for detecting X-ray photons, and Xray photons are directly detected using the Si-XD without a scintillator. Photocurrent from the diode is amplified using charge-sensitive and shaping amplifiers. To investigate the X-ray-electric conversion, we performed the event-pulseheight (EPH) analysis using a multichannel analyzer. Photon-counting computed tomography (PC-CT) is accomplished by repeated linear scans and rotations of an object, and projection curves of the object are obtained by the linear scan. The exposure time for obtaining a tomogram was 10 min at a scan step of 0.5 mm and a rotation step of 1.0°. In PC-CT at a tube voltage of 70 kV, the image contrast of iodine media fell with increasing lower-level voltage of the event pulse using a comparator.

Application of X-Ray Computer Tomography for Observing the Central Void Formations and the Fuel Pin Deformations of Irradiated FBR Fuel Assemblies

NASA Astrophysics Data System (ADS)

Katsuyama, Kozo; Nagamine, Tsuyoshi; Furuya, Hirotaka

2010-10-01

In order to observe the structural change in the interior of irradiated fuel assemblies, a non-destructive post-irradiation examination (PIE) technique using X-ray computer tomography (X-ray CT) was developed. This X-ray CT technique was applied to observe the central void formations and fuel pin deformations of fuel assemblies which had been irradiated at high linear heat rating. The central void sizes in all fuel pins were measured on five cross sections of the core fuel column as a parameter for evaluating fuel thermal performance. In addition, the fuel pin deformations were analyzed from X-ray CT images obtained along the axial direction of a fuel assembly at the same separation interval. A dependence of void size on the linear heat rating was seen in the fuel assembly irradiated at high linear heat rating. In addition, significant undulations of the fuel pin were observed along the axial direction, coinciding with the wrapping wire pitch in the core fuel column. Application of the developed technique should provide enhanced resolution of measurements and simplify fuel PIEs.

A hyperspectral X-ray computed tomography system for enhanced material identification

NASA Astrophysics Data System (ADS)

Wu, Xiaomei; Wang, Qian; Ma, Jinlei; Zhang, Wei; Li, Po; Fang, Zheng

2017-08-01

X-ray computed tomography (CT) can distinguish different materials according to their absorption characteristics. The hyperspectral X-ray CT (HXCT) system proposed in the present work reconstructs each voxel according to its X-ray absorption spectral characteristics. In contrast to a dual-energy or multi-energy CT system, HXCT employs cadmium telluride (CdTe) as the x-ray detector, which provides higher spectral resolution and separate spectral lines according to the material's photon-counter working principle. In this paper, a specimen containing ten different polymer materials randomly arranged was adopted for material identification by HXCT. The filtered back-projection algorithm was applied for image and spectral reconstruction. The first step was to sort the individual material components of the specimen according to their cross-sectional image intensity. The second step was to classify materials with similar intensities according to their reconstructed spectral characteristics. The results demonstrated the feasibility of the proposed material identification process and indicated that the proposed HXCT system has good prospects for a wide range of biomedical and industrial nondestructive testing applications.

Formation Constraints Indicate a Black Hole Accretor in 47 Tuc X9

NASA Astrophysics Data System (ADS)

Church, Ross P.; Strader, Jay; Davies, Melvyn B.; Bobrick, Alexey

2017-12-01

The luminous X-ray binary 47 Tuc X9 shows radio and X-ray emission consistent with a stellar-mass black hole (BH) accreting from a carbon-oxygen white dwarf. Its location, in the core of the massive globular cluster 47 Tuc, hints at a dynamical origin. We assess the stability of mass transfer from a carbon-oxygen white dwarf onto compact objects of various masses, and conclude that for mass transfer to proceed stably, the accretor must, in fact, be a BH. Such systems can form dynamically by the collision of a stellar-mass BH with a giant star. Tidal dissipation of energy in the giant’s envelope leads to a bound binary with a pericenter separation less than the radius of the giant. An episode of common-envelope evolution follows, which ejects the giant’s envelope. We find that the most likely target is a horizontal-branch star, and that a realistic quantity of subsequent dynamical hardening is required for the resulting binary to merge via gravitational wave emission. Observing one binary like 47 Tuc X9 in the Milky Way globular cluster system is consistent with the expected formation rate. The observed 6.8-day periodicity in the X-ray emission may be driven by eccentricity induced in the ultra-compact X-ray binary’s orbit by a perturbing companion.

Sun Shines in High-Energy X-rays

NASA Image and Video Library

2014-12-22

X-rays stream off the sun in this first picture of the sun, overlaid on a picture taken by NASA Solar Dynamics Observatory SDO, taken by NASA NuSTAR. The field of view covers the west limb of the sun.

Comparison of competing segmentation standards for X-ray computed topographic imaging using Lattice Boltzmann techniques

NASA Astrophysics Data System (ADS)

Larsen, J. D.; Schaap, M. G.

2013-12-01

Recent advances in computing technology and experimental techniques have made it possible to observe and characterize fluid dynamics at the micro-scale. Many computational methods exist that can adequately simulate fluid flow in porous media. Lattice Boltzmann methods provide the distinct advantage of tracking particles at the microscopic level and returning macroscopic observations. While experimental methods can accurately measure macroscopic fluid dynamics, computational efforts can be used to predict and gain insight into fluid dynamics by utilizing thin sections or computed micro-tomography (CMT) images of core sections. Although substantial effort have been made to advance non-invasive imaging methods such as CMT, fluid dynamics simulations, and microscale analysis, a true three dimensional image segmentation technique has not been developed until recently. Many competing segmentation techniques are utilized in industry and research settings with varying results. In this study lattice Boltzmann method is used to simulate stokes flow in a macroporous soil column. Two dimensional CMT images were used to reconstruct a three dimensional representation of the original sample. Six competing segmentation standards were used to binarize the CMT volumes which provide distinction between solid phase and pore space. The permeability of the reconstructed samples was calculated, with Darcy's Law, from lattice Boltzmann simulations of fluid flow in the samples. We compare simulated permeability from differing segmentation algorithms to experimental findings.

A New Two-fluid Radiation-hydrodynamical Model for X-Ray Pulsar Accretion Columns

NASA Astrophysics Data System (ADS)

West, Brent F.; Wolfram, Kenneth D.; Becker, Peter A.

2017-02-01

Previous research centered on the hydrodynamics in X-ray pulsar accretion columns has largely focused on the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface. This type of model has been relatively successful in describing the overall properties of the accretion flows, but it does not account for the possible dynamical effect of the gas pressure. On the other hand, the most successful radiative transport models for pulsars generally do not include a rigorous treatment of the dynamical structure of the column, instead assuming an ad hoc velocity profile. In this paper, we explore the structure of X-ray pulsar accretion columns using a new, self-consistent, “two-fluid” model, which incorporates the dynamical effect of the gas and radiation pressures, the dipole variation of the magnetic field, the thermodynamic effect of all of the relevant coupling and cooling processes, and a rigorous set of physical boundary conditions. The model has six free parameters, which we vary in order to approximately fit the phase-averaged spectra in Her X-1, Cen X-3, and LMC X-4. In this paper, we focus on the dynamical results, which shed new light on the surface magnetic field strength, the inclination of the magnetic field axis relative to the rotation axis, the relative importance of gas and radiation pressures, and the radial variation of the ion, electron, and inverse-Compton temperatures. The results obtained for the X-ray spectra are presented in a separate paper.

[Characteristics of specifications of transportable inverter-type X-ray equipment].

PubMed

Yamamoto, Keiichi; Miyazaki, Shigeru; Asano, Hiroshi; Shinohara, Fuminori; Ishikawa, Mitsuo; Ide, Toshinori; Abe, Shinji; Negishi, Toru; Miyake, Hiroyuki; Imai, Yoshio; Okuaki, Tomoyuki

2003-07-01

Our X-ray systems study group measured and examined the characteristics of four transportable inverter-type X-ray equipments. X-ray tube voltage and X-ray tube current were measured with the X-ray tube voltage and the X-ray tube current measurement terminals provided with the equipment. X-ray tube voltage, irradiation time, and dose were measured with a non-invasive X-ray tube voltage-measuring device, and X-ray output was measured by fluorescence meter. The items investigated were the reproducibility and linearity of X-ray output, error of pre-set X-ray tube voltage and X-ray tube current, and X-ray tube voltage ripple percentage. The waveforms of X-ray tube voltage, the X-ray tube current, and fluorescence intensity draw were analyzed using the oscilloscope gram and a personal computer. All of the equipment had a preset error of X-ray tube voltage and X-ray tube current that met JIS standards. The X-ray tube voltage ripple percentage of each equipment conformed to the tendency to decrease when X-ray tube voltage increased. Although the X-ray output reproducibility of system A exceeded the JIS standard, the other systems were within the JIS standard. Equipment A required 40 ms for X-ray tube current to reach the target value, and there was some X-ray output loss because of a trough in X-ray tube current. Owing to the influence of the ripple in X-ray tube current, the strength of the fluorescence waveform rippled in equipments B and C. Waveform analysis could not be done by aliasing of the recording device in equipment D. The maximum X-ray tube current of transportable inverter-type X-ray equipment is as low as 10-20 mA, and the irradiation time of chest X-ray photography exceeds 0.1 sec. However, improvement of the radiophotographic technique is required for patients who cannot move their bodies or halt respiration. It is necessary to make the irradiation time of the equipments shorter for remote medical treatment.

«

21

22

23

24

25

»

«

21

22

23

24

25

»

Micromirror-based manipulation of synchrotron x-ray beams

NASA Astrophysics Data System (ADS)

Walko, D. A.; Chen, Pice; Jung, I. W.; Lopez, D.; Schwartz, C. P.; Shenoy, G. K.; Wang, Jin

2017-08-01

Synchrotron beamlines typically use macroscopic, quasi-static optics to manipulate x-ray beams. We present the use of dynamic microelectromechanical systems-based optics (MEMS) to temporally modulate synchrotron x-ray beams. We demonstrate this concept using single-crystal torsional MEMS micromirrors oscillating at frequencies of 75 kHz. Such a MEMS micromirror, with lateral dimensions of a few hundred micrometers, can interact with x rays by operating in grazing-incidence reflection geometry; x rays are deflected only when an x-ray pulse is incident on the rotating micromirror under appropriate conditions, i.e., at an angle less than the critical angle for reflectivity. The time window for such deflections depends on the frequency and amplitude of the MEMS rotation. We demonstrate that reflection geometry can produce a time window of a few microseconds. We further demonstrate that MEMS optics can isolate x rays from a selected synchrotron bunch or group of bunches. With ray-trace simulations we explain the currently achievable time windows and suggest a path toward improvements.

High Precision Motion Control System for the Two-Stage Light Gas Gun at the Dynamic Compression Sector

NASA Astrophysics Data System (ADS)

Zdanowicz, E.; Guarino, V.; Konrad, C.; Williams, B.; Capatina, D.; D'Amico, K.; Arganbright, N.; Zimmerman, K.; Turneaure, S.; Gupta, Y. M.

2017-06-01

The Dynamic Compression Sector (DCS) at the Advanced Photon Source (APS), located at Argonne National Laboratory (ANL), has a diverse set of dynamic compression drivers to obtain time resolved x-ray data in single event, dynamic compression experiments. Because the APS x-ray beam direction is fixed, each driver at DCS must have the capability to move through a large range of linear and angular motions with high precision to accommodate a wide variety of scientific needs. Particularly challenging was the design and implementation of the motion control system for the two-stage light gas gun, which rests on a 26' long structure and weighs over 2 tons. The target must be precisely positioned in the x-ray beam while remaining perpendicular to the gun barrel axis to ensure one-dimensional loading of samples. To accommodate these requirements, the entire structure can pivot through 60° of angular motion and move 10's of inches along four independent linear directions with 0.01° and 10 μm resolution, respectively. This presentation will provide details of how this system was constructed, how it is controlled, and provide examples of the wide range of x-ray/sample geometries that can be accommodated. Work supported by DOE/NNSA.

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

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

Tanzi, Luana; Ramondo, Fabio, E-mail: fabio.ramondo@univaq.it; Caminiti, Ruggero

2015-09-21

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

X-ray aspects of the DAFT/FADA clusters

NASA Astrophysics Data System (ADS)

Guennou, L.; Durret, F.; Lima Neto, G. B.; Adami, C.

2012-12-01

We have undertaken the DAFT/FADA survey with the aim of applying constraints on dark energy based on weak lensing tomography as well as obtaining homogeneous and high quality data for a sample of 91 massive clusters in the redshift range [0.4,0.9] for which there are HST archive data. We have analysed the XMM-Newton data available for 42 of these clusters to derive their X-ray temperatures and luminosities and search for substructures. This study was coupled with a dynamical analysis for the 26 clusters having at least 30 spectroscopic galaxy redshifts in the cluster range. We present preliminary results on the coupled X-ray and dynamical analyses of these clusters.

Analysis of field of view limited by a multi-line X-ray source and its improvement for grating interferometry.

PubMed

Du, Yang; Huang, Jianheng; Lin, Danying; Niu, Hanben

2012-08-01

X-ray phase-contrast imaging based on grating interferometry is a technique with the potential to provide absorption, differential phase contrast, and dark-field signals simultaneously. The multi-line X-ray source used recently in grating interferometry has the advantage of high-energy X-rays for imaging of thick samples for most clinical and industrial investigations. However, it has a drawback of limited field of view (FOV), because of the axial extension of the X-ray emission area. In this paper, we analyze the effects of axial extension of the multi-line X-ray source on the FOV and its improvement in terms of Fresnel diffraction theory. Computer simulation results show that the FOV limitation can be overcome by use of an alternative X-ray tube with a specially designed multi-step anode. The FOV of this newly designed X-ray source can be approximately four times larger than that of the multi-line X-ray source in the same emission area. This might be beneficial for the applications of X-ray phase contrast imaging in materials science, biology, medicine, and industry.

The DARPA compact superconducting x-ray lithography source features. [Defense Advanced Research Projects Agency (DARPA)

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

Heese, R.; Kalsi, S.; Leung, E.

1991-01-01

Under DARPA sponsorship, a compact Superconducting X-ray Lithography Source (SXLS) is being designed and built by the Brookhaven National Laboratory (BNL) with industry participation from Grumman Corporation and General Dynamics. This source is optimized for lithography work for sub-micron high density computer chips, and is about the size of a billiard table (1.5 m {times} 4.0 m). The machine has a racetrack configuration with two 180{degree} bending magnets being designed and built by General Dynamics under a subcontract with Grumman Corporation. The machine will have 18 photon ports which would deliver light peaked at a wave length of 10 Angstroms.more » Grumman is commercializing the SXLS device and plans to book orders for delivery of industrialized SXLS (ISXLS) versions in 1995. This paper will describe the major features of this device. The commercial machine will be equipped with a fully automated user-friendly control systems, major features of which are already working on a compact warm dipole ring at BNL. This ring has normal dipole magnets with dimensions identical to the SXLS device, and has been successfully commissioned. 4 figs., 1 tab.« less

An Investigation of Fiber Reinforced Chemically Bonded Phosphate Ceramic Composites at Room Temperature.

PubMed

Ding, Zhu; Li, Yu-Yu; Lu, Can; Liu, Jian

2018-05-21

In this study, chemically bonded phosphate ceramic (CBPC) fiber reinforced composites were made at indoor temperatures. The mechanical properties and microstructure of the CBPC composites were studied. The CBPC matrix of aluminum phosphate binder, metakaolin, and magnesia with different Si/P ratios was prepared. The results show that when the Si/P ratio was 1.2, and magnesia content in the CBPC was 15%, CBPC reached its maximum flexural strength. The fiber reinforced CBPC composites were prepared by mixing short polyvinyl alcohol (PVA) fibers or unidirectional continuous carbon fiber sheets. Flexural strength and dynamic mechanical properties of the composites were determined, and the microstructures of specimens were analyzed by scanning electron micrography, X-ray diffraction, and micro X-ray computed tomography. The flexural performance of continuous carbon fiber reinforced CBPC composites was better than that of PVA fiber composites. The elastic modulus, loss modulus, and loss factor of the fiber composites were measured through dynamic mechanical analysis. The results showed that fiber reinforced CBPC composites are an inorganic polymer viscoelastic material with excellent damping properties. The reaction of magnesia and phosphate in the matrix of CBPC formed a different mineral, newberyite, which was beneficial to the development of the CBPC.

Techniques in helical scanning, dynamic imaging and image segmentation for improved quantitative analysis with X-ray micro-CT

NASA Astrophysics Data System (ADS)

Sheppard, Adrian; Latham, Shane; Middleton, Jill; Kingston, Andrew; Myers, Glenn; Varslot, Trond; Fogden, Andrew; Sawkins, Tim; Cruikshank, Ron; Saadatfar, Mohammad; Francois, Nicolas; Arns, Christoph; Senden, Tim

2014-04-01

This paper reports on recent advances at the micro-computed tomography facility at the Australian National University. Since 2000 this facility has been a significant centre for developments in imaging hardware and associated software for image reconstruction, image analysis and image-based modelling. In 2010 a new instrument was constructed that utilises theoretically-exact image reconstruction based on helical scanning trajectories, allowing higher cone angles and thus better utilisation of the available X-ray flux. We discuss the technical hurdles that needed to be overcome to allow imaging with cone angles in excess of 60°. We also present dynamic tomography algorithms that enable the changes between one moment and the next to be reconstructed from a sparse set of projections, allowing higher speed imaging of time-varying samples. Researchers at the facility have also created a sizeable distributed-memory image analysis toolkit with capabilities ranging from tomographic image reconstruction to 3D shape characterisation. We show results from image registration and present some of the new imaging and experimental techniques that it enables. Finally, we discuss the crucial question of image segmentation and evaluate some recently proposed techniques for automated segmentation.

Dynamic re-weighted total variation technique and statistic Iterative reconstruction method for x-ray CT metal artifact reduction

NASA Astrophysics Data System (ADS)

Peng, Chengtao; Qiu, Bensheng; Zhang, Cheng; Ma, Changyu; Yuan, Gang; Li, Ming

2017-07-01

Over the years, the X-ray computed tomography (CT) has been successfully used in clinical diagnosis. However, when the body of the patient to be examined contains metal objects, the image reconstructed would be polluted by severe metal artifacts, which affect the doctor's diagnosis of disease. In this work, we proposed a dynamic re-weighted total variation (DRWTV) technique combined with the statistic iterative reconstruction (SIR) method to reduce the artifacts. The DRWTV method is based on the total variation (TV) and re-weighted total variation (RWTV) techniques, but it provides a sparser representation than TV and protects the tissue details better than RWTV. Besides, the DRWTV can suppress the artifacts and noise, and the SIR convergence speed is also accelerated. The performance of the algorithm is tested on both simulated phantom dataset and clinical dataset, which are the teeth phantom with two metal implants and the skull with three metal implants, respectively. The proposed algorithm (SIR-DRWTV) is compared with two traditional iterative algorithms, which are SIR and SIR constrained by RWTV regulation (SIR-RWTV). The results show that the proposed algorithm has the best performance in reducing metal artifacts and protecting tissue details.

Full-field Deformation Measurement Techniques for a Rotating Composite Shaft

NASA Technical Reports Server (NTRS)

Kohlman, Lee W.; Ruggeri, Charles R.; Martin, Richard E.; Roberts, Gary D.; Handschuh, Robert F.; Roth, Don J.

2012-01-01

Test methods were developed to view global and local deformation in a composite tube during a test in which the tube is rotating at speeds and torques relevant to rotorcraft shafts. Digital image correlation (DIC) was used to provide quantitative displacement measurements during the tests. High speed cameras were used for the DIC measurements in order to capture images at sufficient frame rates and with sufficient resolution while the tube was rotating at speeds up to 5,000 rpm. Surface displacement data was resolved into cylindrical coordinates in order to measure rigid body rotation and global deformation of the tube. Tests were performed on both undamaged and impact damaged tubes in order to evaluate the capability to detect local deformation near an impact damaged site. Measurement of radial displacement clearly indicated a local buckling deformation near the impacted site in both dynamic and static tests. X-ray computed tomography (CT) was used to investigate variations in fiber architecture within the composite tube and to detect impact damage. No growth in the impact damage area was observed by DIC during dynamic testing or by x-ray CT in post test inspection of the composite tube.

NVIDIA OptiX ray-tracing engine as a new tool for modelling medical imaging systems

NASA Astrophysics Data System (ADS)

Pietrzak, Jakub; Kacperski, Krzysztof; Cieślar, Marek

2015-03-01

The most accurate technique to model the X- and gamma radiation path through a numerically defined object is the Monte Carlo simulation which follows single photons according to their interaction probabilities. A simplified and much faster approach, which just integrates total interaction probabilities along selected paths, is known as ray tracing. Both techniques are used in medical imaging for simulating real imaging systems and as projectors required in iterative tomographic reconstruction algorithms. These approaches are ready for massive parallel implementation e.g. on Graphics Processing Units (GPU), which can greatly accelerate the computation time at a relatively low cost. In this paper we describe the application of the NVIDIA OptiX ray-tracing engine, popular in professional graphics and rendering applications, as a new powerful tool for X- and gamma ray-tracing in medical imaging. It allows the implementation of a variety of physical interactions of rays with pixel-, mesh- or nurbs-based objects, and recording any required quantities, like path integrals, interaction sites, deposited energies, and others. Using the OptiX engine we have implemented a code for rapid Monte Carlo simulations of Single Photon Emission Computed Tomography (SPECT) imaging, as well as the ray-tracing projector, which can be used in reconstruction algorithms. The engine generates efficient, scalable and optimized GPU code, ready to run on multi GPU heterogeneous systems. We have compared the results our simulations with the GATE package. With the OptiX engine the computation time of a Monte Carlo simulation can be reduced from days to minutes.

A 3D dynamical model of the colliding winds in binary systems

NASA Astrophysics Data System (ADS)

Parkin, E. R.; Pittard, J. M.

2008-08-01

We present a three-dimensional (3D) dynamical model of the orbital-induced curvature of the wind-wind collision region in binary star systems. Momentum balance equations are used to determine the position and shape of the contact discontinuity between the stars, while further downstream the gas is assumed to behave ballistically. An Archimedean spiral structure is formed by the motion of the stars, with clear resemblance to high-resolution images of the so-called `pinwheel nebulae'. A key advantage of this approach over grid or smoothed particle hydrodynamic models is its significantly reduced computational cost, while it also allows the study of the structure obtained in an eccentric orbit. The model is relevant to symbiotic systems and γ-ray binaries, as well as systems with O-type and Wolf-Rayet stars. As an example application, we simulate the X-ray emission from hypothetical O+O and WR+O star binaries, and describe a method of ray tracing through the 3D spiral structure to account for absorption by the circumstellar material in the system. Such calculations may be easily adapted to study observations at wavelengths ranging from the radio to γ-ray.

Black Hole Universe Model for Explaining GRBs, X-Ray Flares, and Quasars as Emissions of Dynamic Star-like, Massive, and Supermassive Black Holes

NASA Astrophysics Data System (ADS)

Zhang, Tianxi

2014-01-01

Slightly modifying the standard big bang theory, the author has recently developed a new cosmological model called black hole universe, which is consistent with Mach’s principle, governed by Einstein’s general theory of relativity, and able to explain all observations of the universe. Previous studies accounted for the origin, structure, evolution, expansion, cosmic microwave background radiation, and acceleration of the black hole universe, which grew from a star-like black hole with several solar masses through a supermassive black hole with billions of solar masses to the present state with hundred billion-trillions of solar masses by accreting ambient matter and merging with other black holes. This study investigates the emissions of dynamic black holes according to the black hole universe model and provides a self-consistent explanation for the observations of gamma ray bursts (GRBs), X-ray flares, and quasars as emissions of dynamic star-like, massive, and supermassive black holes. It is shown that a black hole, when it accretes its ambient matter or merges with other black holes, becomes dynamic. Since the event horizon of a dynamic black hole is broken, the inside hot (or high-frequency) blackbody radiation leaks out. The leakage of the inside hot blackbody radiation leads to a GRB if it is a star-like black hole, an X-ray flare if it is a massive black hole like the one at the center of the Milky Way, or a quasar if it is a supermassive black hole like an active galactic nucleus (AGN). The energy spectra and amount of emissions produced by the dynamic star-like, massive, and supermassive black holes can be consistent with the measurements of GRBs, X-ray flares, and quasars.

Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental–Computational Study

DOE PAGES

Song, Lingshuang; Yang, Lin; Meng, Jie; ...

2016-12-29

Here, we present a joint experimental-computational study to quantitatively describe the thermodynamics of hydrophobic leucine amino acids in aqueous solution. X-ray scattering data were acquired at a series of solute and salt concentrations to effectively measure inter-leucine interactions, indicating that a major scattering peak is observed consistently at q = 0.83 Å -1. Atomistic molecular dynamics simulations were then performed and compared with the scattering data, achieving high consistency at both small and wider scattering angles (q = 0$-$1.5 Å -1). This experimental-computational consistence enables a first glimpse of the leucineleucine interacting landscape, where two leucine molecules are aligned mostlymore » in a parallel fashion, as opposed to anti-parallel, but also allows us to derive effective leucine-leucine interactions in solution. Collectively, this combined approach of employing experimental scattering and molecular simulation enables a quantitative characterization on effective inter-molecular interactions of hydrophobic amino acids, critical for protein function and dynamics such as protein folding.« less

Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.

PubMed

Mollica, Luca; Theret, Isabelle; Antoine, Mathias; Perron-Sierra, Françoise; Charton, Yves; Fourquez, Jean-Marie; Wierzbicki, Michel; Boutin, Jean A; Ferry, Gilles; Decherchi, Sergio; Bottegoni, Giovanni; Ducrot, Pierre; Cavalli, Andrea

2016-08-11

Ligand-target residence time is emerging as a key drug discovery parameter because it can reliably predict drug efficacy in vivo. Experimental approaches to binding and unbinding kinetics are nowadays available, but we still lack reliable computational tools for predicting kinetics and residence time. Most attempts have been based on brute-force molecular dynamics (MD) simulations, which are CPU-demanding and not yet particularly accurate. We recently reported a new scaled-MD-based protocol, which showed potential for residence time prediction in drug discovery. Here, we further challenged our procedure's predictive ability by applying our methodology to a series of glucokinase activators that could be useful for treating type 2 diabetes mellitus. We combined scaled MD with experimental kinetics measurements and X-ray crystallography, promptly checking the protocol's reliability by directly comparing computational predictions and experimental measures. The good agreement highlights the potential of our scaled-MD-based approach as an innovative method for computationally estimating and predicting drug residence times.

Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental–Computational Study

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

Song, Lingshuang; Yang, Lin; Meng, Jie

Here, we present a joint experimental-computational study to quantitatively describe the thermodynamics of hydrophobic leucine amino acids in aqueous solution. X-ray scattering data were acquired at a series of solute and salt concentrations to effectively measure inter-leucine interactions, indicating that a major scattering peak is observed consistently at q = 0.83 Å -1. Atomistic molecular dynamics simulations were then performed and compared with the scattering data, achieving high consistency at both small and wider scattering angles (q = 0$-$1.5 Å -1). This experimental-computational consistence enables a first glimpse of the leucineleucine interacting landscape, where two leucine molecules are aligned mostlymore » in a parallel fashion, as opposed to anti-parallel, but also allows us to derive effective leucine-leucine interactions in solution. Collectively, this combined approach of employing experimental scattering and molecular simulation enables a quantitative characterization on effective inter-molecular interactions of hydrophobic amino acids, critical for protein function and dynamics such as protein folding.« less

Force fields and scoring functions for carbohydrate simulation.

PubMed

Xiong, Xiuming; Chen, Zhaoqiang; Cossins, Benjamin P; Xu, Zhijian; Shao, Qiang; Ding, Kai; Zhu, Weiliang; Shi, Jiye

2015-01-12

Carbohydrate dynamics plays a vital role in many biological processes, but we are not currently able to probe this with experimental approaches. The highly flexible nature of carbohydrate structures differs in many aspects from other biomolecules, posing significant challenges for studies employing computational simulation. Over past decades, computational study of carbohydrates has been focused on the development of structure prediction methods, force field optimization, molecular dynamics simulation, and scoring functions for carbohydrate-protein interactions. Advances in carbohydrate force fields and scoring functions can be largely attributed to enhanced computational algorithms, application of quantum mechanics, and the increasing number of experimental structures determined by X-ray and NMR techniques. The conformational analysis of carbohydrates is challengeable and has gone into intensive study in elucidating the anomeric, the exo-anomeric, and the gauche effects. Here, we review the issues associated with carbohydrate force fields and scoring functions, which will have a broad application in the field of carbohydrate-based drug design. Copyright © 2014 Elsevier Ltd. All rights reserved.

X-ray Photon Counting Using 100 MHz Ready-Made Silicon P-Intrinsic-N X-ray Diode and Its Application to Energy-Dispersive Computed Tomography

NASA Astrophysics Data System (ADS)

Kodama, Hajime; Watanabe, Manabu; Sato, Eiichi; Oda, Yasuyuki; Hagiwara, Osahiko; Matsukiyo, Hiroshi; Osawa, Akihiro; Enomoto, Toshiyuki; Kusachi, Shinya; Sato, Shigehiro; Ogawa, Akira

2013-07-01

X-ray photons are directly detected using a 100 MHz ready-made silicon P-intrinsic-N X-ray diode (Si-PIN-XD). The Si-PIN-XD is shielded using an aluminum case with a 25-µm-thick aluminum window and a BNC connector. The photocurrent from the Si-PIN-XD is amplified by charge sensitive and shaping amplifiers, and the event pulses are sent to a multichannel analyzer (MCA) to measure X-ray spectra. At a tube voltage of 90 kV, we observe K-series characteristic X-rays of tungsten. Photon-counting computed tomography (PC-CT) is accomplished by repeated linear scans and rotations of an object, and projection curves of the object are obtained by linear scanning at a tube current of 2.0 mA. The exposure time for obtaining a tomogram is 10 min with scan steps of 0.5 mm and rotation steps of 1.0°. At a tube voltage of 90 kV, the maximum count rate is 150 kcps. We carry out PC-CT using gadolinium media and confirm the energy-dispersive effect with changes in the lower level voltage of the event pulse using a comparator.

[Effect of X-ray micro-computed tomography on the metabolic activity and diversity of soil microbial communities in two Chinese soils].

PubMed

Zu, Qianhui; Fang, Huan; Zhou, Hu; Zhang, Jianwei; Peng, Xinhua; Lin, Xiangui; Feng, Youzhi

2016-01-04

X-ray micro-computed tomography (micro-CT) technology, as used in the in situ and nondestructive analysis of soil physical structure, provides the opportunity of associating soil physical and biological assays. Due to the high heterogeneity of the soil matrix, X-ray micro-CT scanning and soil microbial assays should be conducted on the same soil sample. This raises the question whether X-ray micro-CT influences microbial function and diversity of the sample soil to be analyzed. To address this question, we used plate counting, microcalorimetry and pyrosequencing approaches to evaluate the effect of X-ray--at doses typically used in micro-CT--on soil microorganisms in a typical soil of North China Plain, Fluvo-aquic soil and in a typical soil of subtropical China, Ultisol soil, respectively. In both soils radiation decreased the number of viable soil bacteria and disturbed their thermogenic profiles. At DNA level, pyrosequencing revealed that alpha diversities of two soils biota were influenced in opposite ways, while beta diversity was not affected although the relative abundances of some guilds were changed. These findings indicate that the metabolically active aspects of soil biota are not compatible with X-ray micro-CT; while the beta molecular diversity based on pyrosequencing could be compatible.

Quantitative imaging of gold nanoparticle distribution in a tumor-bearing mouse using benchtop x-ray fluorescence computed tomography

PubMed Central

Manohar, Nivedh; Reynoso, Francisco J.; Diagaradjane, Parmeswaran; Krishnan, Sunil; Cho, Sang Hyun

2016-01-01

X-ray fluorescence computed tomography (XFCT) is a technique that can identify, quantify, and locate elements within objects by detecting x-ray fluorescence (characteristic x-rays) stimulated by an excitation source, typically derived from a synchrotron. However, the use of a synchrotron limits practicality and accessibility of XFCT for routine biomedical imaging applications. Therefore, we have developed the ability to perform XFCT on a benchtop setting with ordinary polychromatic x-ray sources. Here, we report our postmortem study that demonstrates the use of benchtop XFCT to accurately image the distribution of gold nanoparticles (GNPs) injected into a tumor-bearing mouse. The distribution of GNPs as determined by benchtop XFCT was validated using inductively coupled plasma mass spectrometry. This investigation shows drastically enhanced sensitivity and specificity of GNP detection and quantification with benchtop XFCT, up to two orders of magnitude better than conventional x-ray CT. The results also reaffirm the unique capabilities of benchtop XFCT for simultaneous determination of the spatial distribution and concentration of nonradioactive metallic probes, such as GNPs, within the context of small animal imaging. Overall, this investigation identifies a clear path toward in vivo molecular imaging using benchtop XFCT techniques in conjunction with GNPs and other metallic probes. PMID:26912068

«

21

22

23

24

25

»

«

21

22

23

24

25

»

Iodine X-ray fluorescence computed tomography system utilizing a cadmium telluride detector in conjunction with a cerium-target tube

NASA Astrophysics Data System (ADS)

Hagiwara, Osahiko; Watanabe, Manabu; Sato, Eiichi; Matsukiyo, Hiroshi; Osawa, Akihiro; Enomoto, Toshiyuki; Nagao, Jiro; Sato, Shigehiro; Ogawa, Akira; Onagawa, Jun

2011-06-01

An X-ray fluorescence computed tomography system (XRF-CT) is useful for determining the main atoms in objects. To detect iodine atoms without using a synchrotron, we developed an XRF-CT system utilizing a cadmium telluride (CdTe) detector and a cerium X-ray generator. CT is performed by repeated linear scans and rotations of an object. When cerium K-series characteristic X-rays are absorbed by iodine atoms in objects, iodine K fluorescence is produced from atoms and is detected by the CdTe detector. Next, event signals of X-ray photons are produced with the use of charge-sensitive and shaping amplifiers. Iodine Kα fluorescence is isolated using a multichannel analyzer, and the number of photons is counted using a counter card. In energy-dispersive XRF-CT, the tube voltage and tube current were 70 kV and 0.40 mA, respectively, and the X-ray intensity was 115.3 μGy/s at a distance of 1.0 m from the source. The demonstration of XRF-CT was carried out by the selection of photons in an energy range from 27.5 to 29.5 keV with a photon-energy resolution of 1.2 keV.

Simulating the X-Ray Image Contrast to Set-Up Techniques with Desired Flaw Detectability

NASA Technical Reports Server (NTRS)

Koshti, Ajay M.

2015-01-01

The paper provides simulation data of previous work by the author in developing a model for estimating detectability of crack-like flaws in radiography. The methodology is being developed to help in implementation of NASA Special x-ray radiography qualification, but is generically applicable to radiography. The paper describes a method for characterizing X-ray detector resolution for crack detection. Applicability of ASTM E 2737 resolution requirements to the model are also discussed. The paper describes a model for simulating the detector resolution. A computer calculator application, discussed here, also performs predicted contrast and signal-to-noise ratio calculations. Results of various simulation runs in calculating x-ray flaw size parameter and image contrast for varying input parameters such as crack depth, crack width, part thickness, x-ray angle, part-to-detector distance, part-to-source distance, source sizes, and detector sensitivity and resolution are given as 3D surfaces. These results demonstrate effect of the input parameters on the flaw size parameter and the simulated image contrast of the crack. These simulations demonstrate utility of the flaw size parameter model in setting up x-ray techniques that provide desired flaw detectability in radiography. The method is applicable to film radiography, computed radiography, and digital radiography.

The cool component and the dichotomy, lateral expansion, and axial rotation of solar X-ray jets

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

Moore, Ronald L.; Sterling, Alphonse C.; Falconer, David A.

2013-06-01

We present results from a study of 54 polar X-ray jets that were observed in coronal X-ray movies from the X-ray Telescope on Hinode and had simultaneous coverage in movies of the cooler transition region (T ∼ 10{sup 5} K) taken in the He II 304 Å band of the Atmospheric Imaging Assembly (AIA) on Solar Dynamics Observatory. These dual observations verify the standard-jet/blowout-jet dichotomy of polar X-ray jets previously found primarily from XRT movies alone. In accord with models of blowout jets and standard jets, the AIA 304 Å movies show a cool (T ∼ 10{sup 5} K) componentmore » in nearly all blowout X-ray jets and in a small minority of standard X-ray jets, obvious lateral expansion in blowout X-ray jets but none in standard X-ray jets, and obvious axial rotation in both blowout X-ray jets and standard X-ray jets. In our sample, the number of turns of axial rotation in the cool-component standard X-ray jets is typical of that in the blowout X-ray jets, suggesting that the closed bipolar magnetic field in the jet base has substantial twist not only in all blowout X-ray jets but also in many standard X-ray jets. We point out that our results for the dichotomy, lateral expansion, and axial rotation of X-ray jets add credence to published speculation that type-II spicules are miniature analogs of X-ray jets, are generated by granule-size emerging bipoles, and thereby carry enough energy to power the corona and solar wind.« less

Comptomization and radiation spectra of X-ray sources. Calculation of the Monte Carlo method

NASA Technical Reports Server (NTRS)

Pozdnyakov, L. A.; Sobol, I. M.; Sonyayev, R. A.

1980-01-01

The results of computations of the Comptomization of low frequency radiation in weakly relativistic plasma are presented. The influence of photoabsorption by iron ions on a hard X-ray spectrum is considered.

V-V compact group of galaxies

NASA Technical Reports Server (NTRS)

Bahcall, N.

1984-01-01

A search for X-ray emission from five compact groups of galaxies with the Einstein Observatory revealed detections from three groups. Soft, extended X-ray emission was observed in Stephan's Quintet which is most likely caused by hot intracluster gas. This provides evidence for dynamical interaction among the group galaxies. X-ray emission from the group Arp 330 may also originate in hot intracluster gas. Stephan's Quintet and Arp 330 have the largest velocity dispersions among the groups studied suggesting a correlation between high velocity and the release (or properties) of hot gas. X-ray emission from Arp 318 may originate in its member galaxies.

Single-pulse coherent diffraction imaging using soft x-ray laser.

PubMed

Kang, Hyon Chol; Kim, Hyung Taek; Kim, Sang Soo; Kim, Chan; Yu, Tae Jun; Lee, Seong Ku; Kim, Chul Min; Kim, I Jong; Sung, Jae Hee; Janulewicz, Karol A; Lee, Jongmin; Noh, Do Young

2012-05-15

We report a coherent diffraction imaging (CDI) using a single 8 ps soft x-ray laser pulse at a wavelength of 13.9 nm. The soft x-ray pulse was generated by a laboratory-scale intense pumping laser providing coherent x-ray pulses up to the level of 10(11) photons/pulse. A spatial resolution below 194 nm was achieved with a single pulse, and it was shown that a resolution below 55 nm is feasible with improved detector capability. The single-pulse CDI might provide a way to investigate dynamics of nanoscale molecules or particles.

Long-term variability in bright hard X-ray sources: 5+ years of BATSE data

NASA Technical Reports Server (NTRS)

Robinson, C. R.; Harmon, B. A.; McCollough, M. L.; Paciesas, W. S.; Sahi, M.; Scott, D. M.; Wilson, C. A.; Zhang, S. N.; Deal, K. J.

1997-01-01

The operation of the Compton Gamma Ray Observatory (CGRO)/burst and transient source experiment (BATSE) continues to provide data for inclusion into a data base for the analysis of long term variability in bright, hard X-ray sources. The all-sky capability of BATSE provides up to 30 flux measurements/day for each source. The long baseline and the various rising and setting occultation flux measurements allow searches for periodic and quasi-periodic signals with periods of between several hours to hundreds of days to be conducted. The preliminary results from an analysis of the hard X-ray variability in 24 of the brightest BATSE sources are presented. Power density spectra are computed for each source and profiles are presented of the hard X-ray orbital modulations in some X-ray binaries, together with amplitude modulations and variations in outburst durations and intensities in recurrent X-ray transients.

Multiple pinhole collimator based X-ray luminescence computed tomography

PubMed Central

Zhang, Wei; Zhu, Dianwen; Lun, Michael; Li, Changqing

2016-01-01

X-ray luminescence computed tomography (XLCT) is an emerging hybrid imaging modality, which is able to improve the spatial resolution of optical imaging to hundreds of micrometers for deep targets by using superfine X-ray pencil beams. However, due to the low X-ray photon utilization efficiency in a single pinhole collimator based XLCT, it takes a long time to acquire measurement data. Herein, we propose a multiple pinhole collimator based XLCT, in which multiple X-ray beams are generated to scan a sample at multiple positions simultaneously. Compared with the single pinhole based XLCT, the multiple X-ray beam scanning method requires much less measurement time. Numerical simulations and phantom experiments have been performed to demonstrate the feasibility of the multiple X-ray beam scanning method. In one numerical simulation, we used four X-ray beams to scan a cylindrical object with 6 deeply embedded targets. With measurements from 6 angular projections, all 6 targets have been reconstructed successfully. In the phantom experiment, we generated two X-ray pencil beams with a collimator manufactured in-house. Two capillary targets with 0.6 mm edge-to-edge distance embedded in a cylindrical phantom have been reconstructed successfully. With the two beam scanning, we reduced the data acquisition time by 50%. From the reconstructed XLCT images, we found that the Dice similarity of targets is 85.11% and the distance error between two targets is less than 3%. We have measured the radiation dose during XLCT scan and found that the radiation dose, 1.475 mSv, is in the range of a typical CT scan. We have measured the changes of the collimated X-ray beam size and intensity at different distances from the collimator. We have also studied the effects of beam size and intensity in the reconstruction of XLCT. PMID:27446686

Investigation of the hard x-ray background in backlit pinhole imagers.

PubMed

Fein, J R; Peebles, J L; Keiter, P A; Holloway, J P; Klein, S R; Kuranz, C C; Manuel, M J-E; Drake, R P

2014-11-01

Hard x-rays from laser-produced hot electrons (>10 keV) in backlit pinhole imagers can give rise to a background signal that decreases signal dynamic range in radiographs. Consequently, significant uncertainties are introduced to the measured optical depth of imaged plasmas. Past experiments have demonstrated that hard x-rays are produced when hot electrons interact with the high-Z pinhole substrate used to collimate the softer He-α x-ray source. Results are presented from recent experiments performed on the OMEGA-60 laser to further study the production of hard x-rays in the pinhole substrate and how these x-rays contribute to the background signal in radiographs. Radiographic image plates measured hard x-rays from pinhole imagers with Mo, Sn, and Ta pinhole substrates. The variation in background signal between pinhole substrates provides evidence that much of this background comes from x-rays produced in the pinhole substrate itself. A Monte Carlo electron transport code was used to model x-ray production from hot electrons interacting in the pinhole substrate, as well as to model measurements of x-rays from the irradiated side of the targets, recorded by a bremsstrahlung x-ray spectrometer. Inconsistencies in inferred hot electron distributions between the different pinhole substrate materials demonstrate that additional sources of hot electrons beyond those modeled may produce hard x-rays in the pinhole substrate.

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

NASA Astrophysics Data System (ADS)

Bhalotia, Vanshree; Beck-Winchatz, Bernhard

2018-06-01

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

Investigation of the hard x-ray background in backlit pinhole imagers

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

Fein, J. R., E-mail: jrfein@umich.edu; Holloway, J. P.; Peebles, J. L.

Hard x-rays from laser-produced hot electrons (>10 keV) in backlit pinhole imagers can give rise to a background signal that decreases signal dynamic range in radiographs. Consequently, significant uncertainties are introduced to the measured optical depth of imaged plasmas. Past experiments have demonstrated that hard x-rays are produced when hot electrons interact with the high-Z pinhole substrate used to collimate the softer He-α x-ray source. Results are presented from recent experiments performed on the OMEGA-60 laser to further study the production of hard x-rays in the pinhole substrate and how these x-rays contribute to the background signal in radiographs. Radiographicmore » image plates measured hard x-rays from pinhole imagers with Mo, Sn, and Ta pinhole substrates. The variation in background signal between pinhole substrates provides evidence that much of this background comes from x-rays produced in the pinhole substrate itself. A Monte Carlo electron transport code was used to model x-ray production from hot electrons interacting in the pinhole substrate, as well as to model measurements of x-rays from the irradiated side of the targets, recorded by a bremsstrahlung x-ray spectrometer. Inconsistencies in inferred hot electron distributions between the different pinhole substrate materials demonstrate that additional sources of hot electrons beyond those modeled may produce hard x-rays in the pinhole substrate.« less

Time-dependent Electron Acceleration in Blazar Transients: X-Ray Time Lags and Spectral Formation

NASA Astrophysics Data System (ADS)

Lewis, Tiffany R.; Becker, Peter A.; Finke, Justin D.

2016-06-01

Electromagnetic radiation from blazar jets often displays strong variability, extending from radio to γ-ray frequencies. In a few cases, this variability has been characterized using Fourier time lags, such as those detected in the X-rays from Mrk 421 using BeppoSAX. The lack of a theoretical framework to interpret the data has motivated us to develop a new model for the formation of the X-ray spectrum and the time lags in blazar jets based on a transport equation including terms describing stochastic Fermi acceleration, synchrotron losses, shock acceleration, adiabatic expansion, and spatial diffusion. We derive the exact solution for the Fourier transform of the electron distribution and use it to compute the Fourier transform of the synchrotron radiation spectrum and the associated X-ray time lags. The same theoretical framework is also used to compute the peak flare X-ray spectrum, assuming that a steady-state electron distribution is achieved during the peak of the flare. The model parameters are constrained by comparing the theoretical predictions with the observational data for Mrk 421. The resulting integrated model yields, for the first time, a complete first-principles physical explanation for both the formation of the observed time lags and the shape of the peak flare X-ray spectrum. It also yields direct estimates of the strength of the shock and the stochastic magnetohydrodynamical wave acceleration components in the Mrk 421 jet.

Development of a Computer-Controlled Polishing Process for X-Ray Optics

NASA Technical Reports Server (NTRS)

Khan, Gufran S.; Gubarev, Mikhail; Arnold, William; Ramsey, Brian

2009-01-01

The future X-ray observatory missions require grazing-incidence x-ray optics with angular resolution of < 5 arcsec half-power diameter. The achievable resolution depends ultimately on the quality of polished mandrels from which the shells are replicated. With an aim to fabricate better shells, and reduce the cost/time of mandrel production, a computer-controlled polishing machine is developed for deterministic and localized polishing of mandrels. Cylindrical polishing software is also developed that predicts the surface residual errors under a given set of operating parameters and lap configuration. Design considerations of the polishing lap are discussed and the effects of nonconformance of the lap and the mandrel are presented.

Fast automatic segmentation of anatomical structures in x-ray computed tomography images to improve fluorescence molecular tomography reconstruction.

PubMed

Freyer, Marcus; Ale, Angelique; Schulz, Ralf B; Zientkowska, Marta; Ntziachristos, Vasilis; Englmeier, Karl-Hans

2010-01-01

The recent development of hybrid imaging scanners that integrate fluorescence molecular tomography (FMT) and x-ray computed tomography (XCT) allows the utilization of x-ray information as image priors for improving optical tomography reconstruction. To fully capitalize on this capacity, we consider a framework for the automatic and fast detection of different anatomic structures in murine XCT images. To accurately differentiate between different structures such as bone, lung, and heart, a combination of image processing steps including thresholding, seed growing, and signal detection are found to offer optimal segmentation performance. The algorithm and its utilization in an inverse FMT scheme that uses priors is demonstrated on mouse images.

Design Considerations of a Virtual Laboratory for Advanced X-ray Sources

NASA Astrophysics Data System (ADS)

Luginsland, J. W.; Frese, M. H.; Frese, S. D.; Watrous, J. J.; Heileman, G. L.

2004-11-01

The field of scientific computation has greatly advanced in the last few years, resulting in the ability to perform complex computer simulations that can predict the performance of real-world experiments in a number of fields of study. Among the forces driving this new computational capability is the advent of parallel algorithms, allowing calculations in three-dimensional space with realistic time scales. Electromagnetic radiation sources driven by high-voltage, high-current electron beams offer an area to further push the state-of-the-art in high fidelity, first-principles simulation tools. The physics of these x-ray sources combine kinetic plasma physics (electron beams) with dense fluid-like plasma physics (anode plasmas) and x-ray generation (bremsstrahlung). There are a number of mature techniques and software packages for dealing with the individual aspects of these sources, such as Particle-In-Cell (PIC), Magneto-Hydrodynamics (MHD), and radiation transport codes. The current effort is focused on developing an object-oriented software environment using the Rational© Unified Process and the Unified Modeling Language (UML) to provide a framework where multiple 3D parallel physics packages, such as a PIC code (ICEPIC), a MHD code (MACH), and a x-ray transport code (ITS) can co-exist in a system-of-systems approach to modeling advanced x-ray sources. Initial software design and assessments of the various physics algorithms' fidelity will be presented.

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.

Inexpensive computed tomography for remote areas via teleradiology

NASA Astrophysics Data System (ADS)

Gordon, Richard

1990-06-01

While x-ray computed tomography (CT) is falling in price it is still beyond the means of most primary and secondary health care centres in the world. I would like to show how if a teleradiology system is installed there is a good prospect for also being able to install a simple but diagnostically effective CT system. This can be based on film used either as a one or two dimensional detector. 1. CT SYSTEMS The major components of a CT system are: 1) health care worker(s) who can decide which part of a patient needs to be imaged 2) an x-ray transparent bed on which a patient can be made comfortable positioned and restrained as necessary 3) an x-ray source mounted on a gantry 4) an x-ray detector mounted on the gantry 5) a digitizer for the x-ray signal 6) a computer to receive the signal 7) an algorithm that calculates the reconstructed CT image 8) a halftone or color display monitor 9) a radiologist who can interpret the images 10) communication from the radiologist to the health care worker(s). 2. BENEFITS OF CT VIA TELERADIOLOGY I would like to proceed on the premise that a teleradiology system could be placed between steps 6 and 7. This has the following benefits: a) Radiologists who are relatively scarce and generally located in urban tertiary care centres could serve people in remote areas

X-Ray Computed Tomography Monitors Damage in Composites

NASA Technical Reports Server (NTRS)

Baaklini, George Y.

1997-01-01

The NASA Lewis Research Center recently codeveloped a state-of-the-art x-ray CT facility (designated SMS SMARTSCAN model 100-112 CITA by Scientific Measurement Systems, Inc., Austin, Texas). This multipurpose, modularized, digital x-ray facility includes an imaging system for digital radiography, CT, and computed laminography. The system consists of a 160-kV microfocus x-ray source, a solid-state charge-coupled device (CCD) area detector, a five-axis object-positioning subassembly, and a Sun SPARCstation-based computer system that controls data acquisition and image processing. The x-ray source provides a beam spot size down to 3 microns. The area detector system consists of a 50- by 50- by 3-mm-thick terbium-doped glass fiber-optic scintillation screen, a right-angle mirror, and a scientific-grade, digital CCD camera with a resolution of 1000 by 1018 pixels and 10-bit digitization at ambient cooling. The digital output is recorded with a high-speed, 16-bit frame grabber that allows data to be binned. The detector can be configured to provide a small field-of-view, approximately 45 by 45 mm in cross section, or a larger field-of-view, approximately 60 by 60 mm in cross section. Whenever the highest spatial resolution is desired, the small field-of-view is used, and for larger samples with some reduction in spatial resolution, the larger field-of-view is used.

X-Ray Temperatures, Luminosities, and Masses from XMM-Newton Follow-up of the First Shear-selected Galaxy Cluster Sample

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

Deshpande, Amruta J.; Hughes, John P.; Wittman, David, E-mail: amrejd@physics.rutgers.edu, E-mail: jph@physics.rutgers.edu, E-mail: dwittman@physics.ucdavis.edu

We continue the study of the first sample of shear-selected clusters from the initial 8.6 square degrees of the Deep Lens Survey (DLS); a sample with well-defined selection criteria corresponding to the highest ranked shear peaks in the survey area. We aim to characterize the weak lensing selection by examining the sample’s X-ray properties. There are multiple X-ray clusters associated with nearly all the shear peaks: 14 X-ray clusters corresponding to seven DLS shear peaks. An additional three X-ray clusters cannot be definitively associated with shear peaks, mainly due to large positional offsets between the X-ray centroid and the shearmore » peak. Here we report on the XMM-Newton properties of the 17 X-ray clusters. The X-ray clusters display a wide range of luminosities and temperatures; the L {sub X} − T {sub X} relation we determine for the shear-associated X-ray clusters is consistent with X-ray cluster samples selected without regard to dynamical state, while it is inconsistent with self-similarity. For a subset of the sample, we measure X-ray masses using temperature as a proxy, and compare to weak lensing masses determined by the DLS team. The resulting mass comparison is consistent with equality. The X-ray and weak lensing masses show considerable intrinsic scatter (∼48%), which is consistent with X-ray selected samples when their X-ray and weak lensing masses are independently determined.« less

Frontiers in imaging magnetism with polarized x-rays

DOE PAGES

Fischer, Peter

2015-01-08

Although magnetic imaging with polarized x-rays is a rather young scientific discipline, the various types of established x-ray microscopes have already taken an important role in state-of-the-art characterization of the properties and behavior of spin textures in advanced materials. Furthermore, the opportunities ahead will be to obtain in a unique way indispensable multidimensional information of the structure, dynamics and composition of scientifically interesting and technologically relevant magnetic materials.

«

21

22

23

24

25

»

Some links on this page may take you to non-federal websites. Their policies may differ from this site.