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Sample records for resolved energy dispersive

  1. Time-Resolved Energy-Dispersive XAFS Station for Wide-Energy Range at SPring-8

    SciTech Connect

    Kato, K.; Uruga, T.; Tanida, H.; Yokota, S.; Imai, Y.; Irie, T.

    2007-01-19

    A time-resolved energy-dispersive XAFS (DXAFS) station has been constructed at the bending magnet beamline BL28B2 at SPring-8 to study the local structural changes of materials during chemical reactions and functional processes. The bending magnet source at SPring-8 has a high photon flux above 50 keV. The purpose of this station is to measure DXAFS spectra in a wide energy range from 7 to 50 keV covering K-edges of lanthanides. Its main components are a polychromator with a bent silicon crystal, a mirror to reject higher harmonics, and a position-sensitive detector (PSD). To correspond to a wide energy range, polychromators for Bragg and Laue geometry were developed for the energy range below and above 12 keV, respectively. The PSD used is CCD coupled with a fluorescent screen and lens system. The fluorescent materials and their thickness were optimized for measurement in the x-ray range. Good quality spectra of Ce K-edge (40.5 keV) were obtained with exposures of 360 ms for the standard samples. The present status of the system and some experimental examples are presented in this report.

  2. Effect of hydration on the structure of oriented lipid membranes investigated by in situ time-resolved energy dispersive x-ray diffraction

    SciTech Connect

    Caminiti, Ruggero; Caracciolo, Giulio; Pisani, Michela

    2005-06-20

    In situ time-resolved energy dispersive x-ray diffraction (EDXD) was applied to investigate the effect of hydration on the structure of 1,2-dioleoyl-3-trimethylammonium-propane (DOTAP)-oriented membranes. The measurements allowed a very high density time sampling of the evolution of the structural properties of the DOTAP bilayer such as the lamellar d-spacing, the membrane thickness, and the size of the interbilayer water region. Time-resolved EDXD has been found to provide important information on the role played by free water molecules on the structure and fluidity of lipid bilayer.

  3. Momentum-Transfer-Resolved Electron Energy Loss Spectroscopy of BaBiO3: Anisotropic Dispersion of Threshold Excitation and Optically Forbidden Transition

    NASA Astrophysics Data System (ADS)

    Wang, Y. Y.; Dravid, V. P.; Bulut, N.; Han, P. D.; Klein, M. V.; Schnatterly, S. E.; Zhang, F. C.

    1995-09-01

    Momentum-transfer-resolved electron energy loss spectroscopy of the valence band transitions in BaBiO3 has revealed for the first time that dispersion of the excitation at the optical gap \\(~2 eV\\) and an optically forbidden transition at 4.5 eV are all anisotropic along [100] and [110]. The anisotropic dispersion of the threshold excitation cannot be described by a simple charge density wave picture but can be explained by a small exciton model proposed in this paper. The optically forbidden transition is found to agree well with a proposed molecular orbital model, where the transition is assigned as the excitation from the O 2pσ nonbonding states to the empty Bi 6s state.

  4. Spatially resolved energy dispersive x-ray spectroscopic method for in-situ evaluation of mechanical properties during the growth of a C - Pt composite nanowire

    NASA Astrophysics Data System (ADS)

    Banerjee, Amit; Banerjee, S. S.

    2014-05-01

    A core-shell type C-Pt composite nanowire is fabricated using focused ion and electron beam induced chemical vapor deposition techniques. Using information from spatially resolved energy dispersive x-ray spectra, we detect the resonance vibration in the C-Pt composite nanowire. We use this method to measure the Young's moduli of the constituents (C, Pt) of the composite nanowire and also estimate the density of the FEB CVD grown Pt shell surrounding the C core. By measuring the resonance characteristics of the composite nanowire we estimate a Pt shell growth rate of ˜0.9 nms-1. The study is analyzed to suggest that the Pt shell growth mechanism is primarily governed by the sticking coefficient of the organometallic vapor on the C nanowire core.

  5. Spatially resolved energy dispersive x-ray spectroscopic method for in-situ evaluation of mechanical properties during the growth of a C - Pt composite nanowire

    SciTech Connect

    Banerjee, Amit; Banerjee, S. S.

    2014-05-15

    A core-shell type C-Pt composite nanowire is fabricated using focused ion and electron beam induced chemical vapor deposition techniques. Using information from spatially resolved energy dispersive x-ray spectra, we detect the resonance vibration in the C-Pt composite nanowire. We use this method to measure the Young's moduli of the constituents (C, Pt) of the composite nanowire and also estimate the density of the FEB CVD grown Pt shell surrounding the C core. By measuring the resonance characteristics of the composite nanowire we estimate a Pt shell growth rate of ∼0.9 nms{sup −1}. The study is analyzed to suggest that the Pt shell growth mechanism is primarily governed by the sticking coefficient of the organometallic vapor on the C nanowire core.

  6. Microsecond time-resolved energy-dispersive EXAFS measurement and its application to film the thermolysis of (NH4)2[PtCl6

    PubMed Central

    Kong, Qingyu; Baudelet, Francois; Han, Jun; Chagnot, Sebastien; Barthe, Laurent; Headspith, Jon; Goldsbrough, Roger; Picca, Frederic E.; Spalla, Olivier

    2012-01-01

    Microsecond (μs) time-resolved extended X-ray absorption fine structure spectroscopy (EXAFS) has been developed using an energy-dispersive EXAFS (EDE) setup equipped with a silicon Quantum Detector ULTRA. The feasibility was investigated with a prototypical thermally driven redox reaction, the thermal decomposition of (NH4)2[PtCl6]. EXAFS data were collected with snapshots every 60 μs during the course of the thermolysis reaction, then averaged for 100 times along the reaction to get better signal to noise ratio which reduces the time resolution to 6 millisecond (ms). Our results provide direct structural evidence of cis-PtCl2(NH3)2 as the intermediate, together with continuous electronic and geometric structure dynamics of the reactant, intermediate and final product during the course of the thermolysis of (NH4)2[PtCl6]. The thermal effect on EXAFS signals at high temperatures is considered in the data analysis, which is essential to follow the reaction process correctly. This method could also be applied to other reaction dynamics. PMID:23264880

  7. High-throughput and time-resolved energy-dispersive X-ray diffraction (EDXRD) study of the formation of CAU-1-(OH)2: microwave and conventional heating.

    PubMed

    Ahnfeldt, Tim; Moellmer, Jens; Guillerm, Vincent; Staudt, Reiner; Serre, Christian; Stock, Norbert

    2011-05-27

    Aluminium dihydroxyterephthalate [Al(8)(OH)(4)(OCH(3))(8)(BDC(OH)(2))(6)]⋅x H(2)O (denoted CAU-1-(OH)(2)) was synthesized under solvothermal conditions and characterized by X-ray powder diffraction, IR spectroscopy, sorption measurements, as well as thermogravimetric and elemental analysis. CAU-1-(OH)(2) is isoreticular to CAU-1 and its pores are lined with OH groups. It is stable under ambient conditions and in water, and it exhibits permanent porosity and two types of cavities with effective diameters of approximately 1 and 0.45 nm. The crystallization of CAU-1-(OH)(2) was studied by in situ energy-dispersive X-ray diffraction (EDXRD) experiments in the 120-145 °C temperature range. Two heating methods-conventional and microwave-were investigated. The latter leads to shorter induction periods as well as shorter reaction times. Whereas CAU-1-(OH)(2) is formed at all investigated temperatures using conventional heating, it is only observed below 130 °C using microwave heating. The calculation of the activation energy of the crystallization of CAU-1-(OH)(2) exhibits similar values for microwave and conventional synthesis.

  8. Evaluation study of building-resolved urban dispersion models

    SciTech Connect

    Flaherty, Julia E.; Allwine, K Jerry; Brown, Mike J.; Coirier, WIlliam J.; Ericson, Shawn C.; Hansen, Olav R.; Huber, Alan H.; Kim, Sura; Leach, Martin J.; Mirocha, Jeff D.; Newsom, Rob K.; Patnaik, Gopal; Senocak, Inanc

    2007-09-10

    For effective emergency response and recovery planning, it is critically important that building-resolved urban dispersion models be evaluated using field data. Several full-physics computational fluid dynamics (CFD) models and semi-empirical building-resolved (SEB) models are being advanced and applied to simulating flow and dispersion in urban areas. To obtain an estimate of the current state-of-readiness of these classes of models, the Department of Homeland Security (DHS) funded a study to compare five CFD models and one SEB model with tracer data from the extensive Midtown Manhattan field study (MID05) conducted during August 2005 as part of the DHS Urban Dispersion Program (UDP; Allwine and Flaherty 2007). Six days of tracer and meteorological experiments were conducted over an approximately 2-km-by-2-km area in Midtown Manhattan just south of Central Park in New York City. A subset of these data was used for model evaluations. The study was conducted such that an evaluation team, independent of the six modeling teams, provided all the input data (e.g., building data, meteorological data and tracer release rates) and run conditions for each of four experimental periods simulated. Tracer concentration data for two of the four experimental periods were provided to the modeling teams for their own evaluation of their respective models to ensure proper setup and operation. Tracer data were not provided for the second two experimental periods to provide for an independent evaluation of the models. The tracer concentrations resulting from the model simulations were provided to the evaluation team in a standard format for consistency in inter-comparing model results. An overview of the model evaluation approach will be given followed by a discussion on the qualitative comparison of the respective models with the field data. Future model developments efforts needed to address modeling gaps identified from this study will also be discussed.

  9. Anomalous lattice expansion in yttria stabilized zirconia under simultaneous applied electric and thermal fields: A time-resolved in situ energy dispersive x-ray diffractometry study with an ultrahigh energy synchrotron probe

    SciTech Connect

    Akdogan, E. K.; Savkl Latin-Small-Letter-Dotless-I y Latin-Small-Letter-Dotless-I ld Latin-Small-Letter-Dotless-I z, I.; Bicer, H.; Paxton, W.; Toksoy, F.; Tsakalakos, T.; Zhong, Z.

    2013-06-21

    Nonisothermal densification in 8% yttria doped zirconia (8YSZ) particulate matter of 250 nm median particle size was studied under 215 V/cm dc electric field and 9 Degree-Sign C/min heating rate, using time-resolved in-situ high temperature energy dispersive x-ray diffractometry with a polychromatic 200 keV synchrotron probe. Densification occurred in the 876-905 Degree-Sign C range, which resulted in 97% of the theoretical density. No local melting at particle-particle contacts was observed in scanning electron micrographs, implying densification was due to solid state mass transport processes. The maximum current draw at 905 Degree-Sign C was 3 A, corresponding to instantaneous absorbed power density of 570 W/cm{sup 3}. Densification of 8YSZ was accompanied by anomalous elastic volume expansions of the unit cell by 0.45% and 2.80% at 847 Degree-Sign C and 905 Degree-Sign C, respectively. The anomalous expansion at 905 Degree-Sign C at which maximum densification was observed is characterized by three stages: (I) linear stage, (II) anomalous stage, and (III) anelastic recovery stage. The densification in stage I (184 s) and II (15 s) was completed in 199 s, while anelastic relaxation in stage III lasted 130 s. The residual strains ({epsilon}) at room temperature, as computed from tetragonal (112) and (211) reflections, are {epsilon}{sub (112)} = 0.05% and {epsilon}{sub (211)} = 0.13%, respectively. Time dependence of (211) and (112) peak widths ({beta}) show a decrease with both exhibiting a singularity at 905 Degree-Sign C. An anisotropy in (112) and (211) peak widths of {l_brace} {beta}{sub (112)}/{beta}{sub (211)}{r_brace} = (3:1) magnitude was observed. No phase transformation occurred at 905 Degree-Sign C as verified from diffraction spectra on both sides of the singularity, i.e., the unit cell symmetry remains tetragonal. We attribute the reduction in densification temperature and time to ultrafast ambipolar diffusion of species arising from the

  10. The Time-resolved and Extreme-conditions XAS (TEXAS) facility at the European Synchrotron Radiation Facility: the energy-dispersive X-ray absorption spectroscopy beamline ID24.

    PubMed

    Pascarelli, S; Mathon, O; Mairs, T; Kantor, I; Agostini, G; Strohm, C; Pasternak, S; Perrin, F; Berruyer, G; Chappelet, P; Clavel, C; Dominguez, M C

    2016-01-01

    The European Synchrotron Radiation Facility has recently made available to the user community a facility totally dedicated to Time-resolved and Extreme-conditions X-ray Absorption Spectroscopy--TEXAS. Based on an upgrade of the former energy-dispersive XAS beamline ID24, it provides a unique experimental tool combining unprecedented brilliance (up to 10(14) photons s(-1) on a 4 µm × 4 µm FWHM spot) and detection speed for a full EXAFS spectrum (100 ps per spectrum). The science mission includes studies of processes down to the nanosecond timescale, and investigations of matter at extreme pressure (500 GPa), temperature (10000 K) and magnetic field (30 T). The core activities of the beamline are centered on new experiments dedicated to the investigation of extreme states of matter that can be maintained only for very short periods of time. Here the infrastructure, optical scheme, detection systems and sample environments used to enable the mission-critical performance are described, and examples of first results on the investigation of the electronic and local structure in melts at pressure and temperature conditions relevant to the Earth's interior and in laser-shocked matter are given.

  11. Natural patterns of energy dispersal.

    PubMed

    Mäkelä, Teemu; Annila, Arto

    2010-12-01

    Universal patterns such as power-law dependences, skewed distributions, tree-like structures, networks and spirals are associated with energy dispersal processes using the principle of least action. Also ubiquitous temporal courses such as sigmoid growth, bifurcations and chaos are ascribed to the decrease of free energy in the least time. Moreover, emergence of natural standards such as the common genetic code and chirality consensus of amino acids are understood to follow from the quest to maximize the dispersal of energy. Many mathematical functions that model natural patterns and processes are found as approximations of the evolutionary equation of motion that has been derived from statistical physics of open systems. The evolutionary processes can be described as flows of energy that run from high energy sources to low energy sinks in the least time. However, the equation of evolution cannot be solved in general because the flows of energy and their driving forces are inseparable. Since the energy of the system keeps changing, the paths of evolution cannot be integrated from a given initial state to a final state. Although evolutionary courses of these non-Hamiltonian systems with two or more alternative ways of dissipation cannot be predicted, the flows of energy will search and naturally select paths of least action, known as geodesics, to consume free energy in the least time. The scale-invariant natural patterns follow from this natural law that impinges on processes at all scales of space and time.

  12. Electromagnetic energy momentum in dispersive media

    SciTech Connect

    Philbin, T. G.

    2011-01-15

    The standard derivations of electromagnetic energy and momentum in media take Maxwell's equations as the starting point. It is well known that for dispersive media this approach does not directly yield exact expressions for the energy and momentum densities. Although Maxwell's equations fully describe electromagnetic fields, the general approach to conserved quantities in field theory is not based on the field equations, but rather on the action. Here an action principle for macroscopic electromagnetism in dispersive, lossless media is used to derive the exact conserved energy-momentum tensor. The time-averaged energy density reduces to Brillouin's simple formula when the fields are monochromatic. The time-averaged momentum density for monochromatic fields corresponds to the familiar Minkowski expression DxB, but for general fields in dispersive media the momentum density does not have the Minkowski value. The results are unaffected by the debate over momentum balance in light-matter interactions.

  13. DISPERSION ANALYSIS OF RADIATION/THERMAL FRONTS WITH FULL RESOLVED SPECTRAL OPACITY VARIATION.

    SciTech Connect

    L. AUER; R. LOWRIE

    2000-12-01

    The radiation transport and linearized thermal energy equations have been analyzed to find the temporal dependence of the component modes in a radiation/thermal front. The fully resolved spectral variation of the opacity as a function of energy, as well as the exact time and angular dependence, is treated in this work. As we are able to study arbitrarily complicated opacity spectra, we stress the importance of the new results as a check on the effect of using opacity averages.

  14. Localized overlap algorithm for unexpanded dispersion energies

    SciTech Connect

    Rob, Fazle; Szalewicz, Krzysztof; Misquitta, Alston J.; Podeszwa, Rafał

    2014-03-21

    First-principles-based, linearly scaling algorithm has been developed for calculations of dispersion energies from frequency-dependent density susceptibility (FDDS) functions with account of charge-overlap effects. The transition densities in FDDSs are fitted by a set of auxiliary atom-centered functions. The terms in the dispersion energy expression involving products of such functions are computed using either the unexpanded (exact) formula or from inexpensive asymptotic expansions, depending on the location of these functions relative to the dimer configuration. This approach leads to significant savings of computational resources. In particular, for a dimer consisting of two elongated monomers with 81 atoms each in a head-to-head configuration, the most favorable case for our algorithm, a 43-fold speedup has been achieved while the approximate dispersion energy differs by less than 1% from that computed using the standard unexpanded approach. In contrast, the dispersion energy computed from the distributed asymptotic expansion differs by dozens of percent in the van der Waals minimum region. A further increase of the size of each monomer would result in only small increased costs since all the additional terms would be computed from the asymptotic expansion.

  15. Spatially Resolving Ocean Color and Sediment Dispersion in River Plumes, Coastal Systems, and Continental Shelf Waters

    NASA Technical Reports Server (NTRS)

    Aurin, Dirk Alexander; Mannino, Antonio; Franz, Bryan

    2013-01-01

    Satellite remote sensing of ocean color in dynamic coastal, inland, and nearshorewaters is impeded by high variability in optical constituents, demands specialized atmospheric correction, and is limited by instrument sensitivity. To accurately detect dispersion of bio-optical properties, remote sensors require ample signal-to-noise ratio (SNR) to sense small variations in ocean color without saturating over bright pixels, an atmospheric correction that can accommodate significantwater-leaving radiance in the near infrared (NIR), and spatial and temporal resolution that coincides with the scales of variability in the environment. Several current and historic space-borne sensors have met these requirements with success in the open ocean, but are not optimized for highly red-reflective and heterogeneous waters such as those found near river outflows or in the presence of sediment resuspension. Here we apply analytical approaches for determining optimal spatial resolution, dominant spatial scales of variability ("patches"), and proportions of patch variability that can be resolved from four river plumes around the world between 2008 and 2011. An offshore region in the Sargasso Sea is analyzed for comparison. A method is presented for processing Moderate Resolution Imaging Spectroradiometer (MODIS) Aqua and Terra imagery including cloud detection, stray lightmasking, faulty detector avoidance, and dynamic aerosol correction using short-wave- and near-infrared wavebands in extremely turbid regions which pose distinct optical and technical challenges. Results showthat a pixel size of approx. 520 mor smaller is generally required to resolve spatial heterogeneity in ocean color and total suspended materials in river plumes. Optimal pixel size increases with distance from shore to approx. 630 m in nearshore regions, approx 750 m on the continental shelf, and approx. 1350 m in the open ocean. Greater than 90% of the optical variability within plume regions is resolvable with

  16. GPU-centric resolved-particle disperse two-phase flow simulation using the Physalis method

    NASA Astrophysics Data System (ADS)

    Sierakowski, Adam J.

    2016-10-01

    We present work on a new implementation of the Physalis method for resolved-particle disperse two-phase flow simulations. We discuss specifically our GPU-centric programming model that avoids all device-host data communication during the simulation. Summarizing the details underlying the implementation of the Physalis method, we illustrate the application of two GPU-centric parallelization paradigms and record insights on how to best leverage the GPU's prioritization of bandwidth over latency. We perform a comparison of the computational efficiency between the current GPU-centric implementation and a legacy serial-CPU-optimized code and conclude that the GPU hardware accounts for run time improvements up to a factor of 60 by carefully normalizing the run times of both codes.

  17. Characterization of Ultrafast Laser Pulses using a Low-dispersion Frequency Resolved Optical Grating Spectrometer

    NASA Astrophysics Data System (ADS)

    Whitelock, Hope; Bishop, Michael; Khosravi, Soroush; Obaid, Razib; Berrah, Nora

    2016-05-01

    A low dispersion frequency-resolved optical gating (FROG) spectrometer was designed to characterize ultrashort (<50 femtosecond) laser pulses from a commercial regenerative amplifier, optical parametric amplifier, and a home-built non-colinear optical parametric amplifier. This instrument splits a laser pulse into two replicas with a 90:10 intensity ratio using a thin pellicle beam-splitter and then recombines the pulses in a birefringent medium. The instrument detects a wavelength-sensitive change in polarization of the weak probe pulse in the presence of the stronger pump pulse inside the birefringent medium. Scanning the time delay between the two pulses and acquiring spectra allows for characterization of the frequency and time content of ultrafast laser pulses, that is needed for interpretation of experimental results obtained from these ultrafast laser systems. Funded by the DoE-BES, Grant No. DE-SC0012376.

  18. Time resolved measurements of rigid fiber dispersion in near homogeneous isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Sabban, Lilach; Cohen, Asaf; van Hout, Rene; Empfl Environmental Multi-Phase Flow Laboratory Team

    2013-11-01

    Time resolved, planar particle image velocimetry (PIV, 3kHz) and two-orthogonal view, digital holographic cinematography (2kHz) was used to measure 3D fiber trajectories/orientation dynamics in near homogeneous isotropic air turbulence (HIT) with dilute suspended fibers. The PIV covered a field of view of 6 × 12 mm2 and the holography a volume of interest of 173 mm3, positioned at the center of the chamber. HIT (Reλ = 144) was generated in the center of a 403 cm3 cube by eight woofers mounted on each of its corners. Three different nylon fibers having a length of 0.5 mm and diameter of 10, 14 and 19 μm were released from the top of the chamber. Fibers had Stokes numbers of order one and are expected to accumulate in regions of low vorticity and settle along a path of local minimal drag. Fiber 3D trajectories/orientations have been obtained from the holography measurements and orientational/translational dispersion coefficients will be presented. In addition the flow field in the vicinity of tracked fibers has been resolved by the PIV, and results on fluid and fiber accelerations and position correlation with in-plane strain rate and out-of-plane vorticity will be presented.

  19. Concept of proton radiography using energy resolved dose measurement.

    PubMed

    Bentefour, El H; Schnuerer, Roland; Lu, Hsiao-Ming

    2016-08-21

    Energy resolved dosimetry offers a potential path to single detector based proton imaging using scanned proton beams. This is because energy resolved dose functions encrypt the radiological depth at which the measurements are made. When a set of predetermined proton beams 'proton imaging field' are used to deliver a well determined dose distribution in a specific volume, then, at any given depth x of this volume, the behavior of the dose against the energies of the proton imaging field is unique and characterizes the depth x. This concept applies directly to proton therapy scanning delivery methods (pencil beam scanning and uniform scanning) and it can be extended to the proton therapy passive delivery methods (single and double scattering) if the delivery of the irradiation is time-controlled with a known time-energy relationship. To derive the water equivalent path length (WEPL) from the energy resolved dose measurement, one may proceed in two different ways. A first method is by matching the measured energy resolved dose function to a pre-established calibration database of the behavior of the energy resolved dose in water, measured over the entire range of radiological depths with at least 1 mm spatial resolution. This calibration database can also be made specific to the patient if computed using the patient x-CT data. A second method to determine the WEPL is by using the empirical relationships between the WEPL and the integral dose or the depth at 80% of the proximal fall off of the energy resolved dose functions in water. In this note, we establish the evidence of the fundamental relationship between the energy resolved dose and the WEPL at the depth of the measurement. Then, we illustrate this relationship with experimental data and discuss its imaging dynamic range for 230 MeV protons. PMID:27435446

  20. Concept of proton radiography using energy resolved dose measurement

    NASA Astrophysics Data System (ADS)

    Bentefour, El H.; Schnuerer, Roland; Lu, Hsiao-Ming

    2016-08-01

    Energy resolved dosimetry offers a potential path to single detector based proton imaging using scanned proton beams. This is because energy resolved dose functions encrypt the radiological depth at which the measurements are made. When a set of predetermined proton beams ‘proton imaging field’ are used to deliver a well determined dose distribution in a specific volume, then, at any given depth x of this volume, the behavior of the dose against the energies of the proton imaging field is unique and characterizes the depth x. This concept applies directly to proton therapy scanning delivery methods (pencil beam scanning and uniform scanning) and it can be extended to the proton therapy passive delivery methods (single and double scattering) if the delivery of the irradiation is time-controlled with a known time-energy relationship. To derive the water equivalent path length (WEPL) from the energy resolved dose measurement, one may proceed in two different ways. A first method is by matching the measured energy resolved dose function to a pre-established calibration database of the behavior of the energy resolved dose in water, measured over the entire range of radiological depths with at least 1 mm spatial resolution. This calibration database can also be made specific to the patient if computed using the patient x-CT data. A second method to determine the WEPL is by using the empirical relationships between the WEPL and the integral dose or the depth at 80% of the proximal fall off of the energy resolved dose functions in water. In this note, we establish the evidence of the fundamental relationship between the energy resolved dose and the WEPL at the depth of the measurement. Then, we illustrate this relationship with experimental data and discuss its imaging dynamic range for 230 MeV protons.

  1. Ecological succession as an energy dispersal process.

    PubMed

    Würtz, Peter; Annila, Arto

    2010-04-01

    Ecological succession is described by the 2nd law of thermodynamics. According to the universal law of the maximal energy dispersal, an ecosystem evolves toward a stationary state in its surroundings by consuming free energy via diverse mechanisms. Species are the mechanisms that conduct energy down along gradients between repositories of energy which consist of populations at various thermodynamic levels. The salient characteristics of succession, growing biomass production, increasing species richness and shifting distributions of species are found as consequences of the universal quest to diminish energy density differences in least time. The analysis reveals that during succession the ecosystem's energy transduction network, i.e., the food web organizes increasingly more effective in the free energy reduction by acquiring new, more effective and abandoning old, less effective species of energy transduction. The number of species does not necessarily peak at the climax state that corresponds to the maximum-entropy partition of species maximizing consumption of free energy. According to the theory of evolution by natural selection founded on statistical physics of open systems, ecological succession is one among many other evolutionary processes.

  2. Momentum and energy dependence of the anomalous high-energy dispersion in the electronic structure of high temperature superconductors.

    PubMed

    Inosov, D S; Fink, J; Kordyuk, A A; Borisenko, S V; Zabolotnyy, V B; Schuster, R; Knupfer, M; Büchner, B; Follath, R; Dürr, H A; Eberhardt, W; Hinkov, V; Keimer, B; Berger, H

    2007-12-01

    Using high-resolution angle-resolved photoemission spectroscopy we have studied the momentum and photon energy dependence of the anomalous high-energy dispersion, termed waterfalls, between the Fermi level and 1 eV binding energy in several high-T_{c} superconductors. We observe strong changes of the dispersion between different Brillouin zones and a strong dependence on the photon energy around 75 eV, which we associate with the resonant photoemission at the Cu3p-->3d_{x;{2}-y;{2}} edge. We conclude that the high-energy "waterfall" dispersion results from a strong suppression of the photoemission intensity at the center of the Brillouin zone due to matrix element effects and is, therefore, not an intrinsic feature of the spectral function. This indicates that the new high-energy scale in the electronic structure of cuprates derived from the waterfall-like dispersion may be incorrect. PMID:18233401

  3. Momentum and energy dependence of the anomalous high-energy dispersion in the electronic structure of high temperature superconductors.

    PubMed

    Inosov, D S; Fink, J; Kordyuk, A A; Borisenko, S V; Zabolotnyy, V B; Schuster, R; Knupfer, M; Büchner, B; Follath, R; Dürr, H A; Eberhardt, W; Hinkov, V; Keimer, B; Berger, H

    2007-12-01

    Using high-resolution angle-resolved photoemission spectroscopy we have studied the momentum and photon energy dependence of the anomalous high-energy dispersion, termed waterfalls, between the Fermi level and 1 eV binding energy in several high-T_{c} superconductors. We observe strong changes of the dispersion between different Brillouin zones and a strong dependence on the photon energy around 75 eV, which we associate with the resonant photoemission at the Cu3p-->3d_{x;{2}-y;{2}} edge. We conclude that the high-energy "waterfall" dispersion results from a strong suppression of the photoemission intensity at the center of the Brillouin zone due to matrix element effects and is, therefore, not an intrinsic feature of the spectral function. This indicates that the new high-energy scale in the electronic structure of cuprates derived from the waterfall-like dispersion may be incorrect.

  4. Building-Resolved CFD Simulations for Greenhouse Gas Transport and Dispersion over Washington DC / Baltimore

    NASA Astrophysics Data System (ADS)

    Prasad, K.; Lopez-Coto, I.; Ghosh, S.; Mueller, K.; Whetstone, J. R.

    2015-12-01

    The North-East Corridor project aims to use a top-down inversion methodology to quantify sources of Greenhouse Gas (GHG) emissions over urban domains such as Washington DC / Baltimore with high spatial and temporal resolution. Atmospheric transport of tracer gases from an emission source to a tower mounted receptor are usually conducted using the Weather Research and Forecasting (WRF) model. For such simulations, WRF employs a parameterized turbulence model and does not resolve the fine scale dynamics generated by the flow around buildings and communities comprising a large city. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model that utilizes large eddy simulation methods to model flow around buildings at length scales much smaller than is practical with WRF. FDS has the potential to evaluate the impact of complex urban topography on near-field dispersion and mixing difficult to simulate with a mesoscale atmospheric model. Such capabilities may be important in determining urban GHG emissions using atmospheric measurements. A methodology has been developed to run FDS as a sub-grid scale model within a WRF simulation. The coupling is based on nudging the FDS flow field towards that computed by WRF, and is currently limited to one way coupling performed in an off-line mode. Using the coupled WRF / FDS model, NIST will investigate the effects of the urban canopy at horizontal resolutions of 10-20 m in a domain of 12 x 12 km. The coupled WRF-FDS simulations will be used to calculate the dispersion of tracer gases in the North-East Corridor and to evaluate the upwind areas that contribute to tower observations, referred to in the inversion community as influence functions. Results of this study will provide guidance regarding the importance of explicit simulations of urban atmospheric turbulence in obtaining accurate estimates of greenhouse gas emissions and transport.

  5. Correlation energy and dispersion interaction in the ab initio potential energy curve of the neon dimer.

    PubMed

    Bytautas, Laimutis; Ruedenberg, Klaus

    2008-06-01

    A close approximation to the empirical potential energy curve of the neon dimer is obtained by coupled-cluster singles plus doubles plus noniterative triples calculations by using nonaugmented correlation-consistent basis sets without counterpoise corrections and complementing them by three-term extrapolations to the complete basis set limit. The potential energy is resolved into a self-consistent-field Hartree-Fock contribution and a correlation contribution. The latter is shown to decay in the long-range region in accordance with the empirical dispersion expansion.

  6. Low Energy Lorentz Violation from Modified Dispersion at High Energies.

    PubMed

    Husain, Viqar; Louko, Jorma

    2016-02-12

    Many quantum theories of gravity propose Lorentz-violating dispersion relations of the form ω=|k|f(|k|/M⋆), with recovery of approximate Lorentz invariance at energy scales much below M⋆. We show that a quantum field with this dispersion predicts drastic low energy Lorentz violation in atoms modeled as Unruh-DeWitt detectors, for any f that dips below unity somewhere. As an example, we show that polymer quantization motivated by loop quantum gravity predicts such Lorentz violation below current ion collider rapidities.

  7. Single Hit Energy-resolved Laue Diffraction.

    PubMed

    Patel, Shamim; Suggit, Matthew J; Stubley, Paul G; Hawreliak, James A; Ciricosta, Orlando; Comley, Andrew J; Collins, Gilbert W; Eggert, Jon H; Foster, John M; Wark, Justin S; Higginbotham, Andrew

    2015-05-01

    In situ white light Laue diffraction has been successfully used to interrogate the structure of single crystal materials undergoing rapid (nanosecond) dynamic compression up to megabar pressures. However, information on strain state accessible via this technique is limited, reducing its applicability for a range of applications. We present an extension to the existing Laue diffraction platform in which we record the photon energy of a subset of diffraction peaks. This allows for a measurement of the longitudinal and transverse strains in situ during compression. Consequently, we demonstrate measurement of volumetric compression of the unit cell, in addition to the limited aspect ratio information accessible in conventional white light Laue. We present preliminary results for silicon, where only an elastic strain is observed. VISAR measurements show the presence of a two wave structure and measurements show that material downstream of the second wave does not contribute to the observed diffraction peaks, supporting the idea that this material may be highly disordered, or has undergone large scale rotation.

  8. Single Hit Energy-resolved Laue Diffraction

    SciTech Connect

    Patel, Shamim; Suggit, Matthew J.; Stubley, Paul G.; Ciricosta, Orlando; Wark, Justin S.; Higginbotham, Andrew; Hawreliak, James A.; Collins, Gilbert W.; Eggert, Jon H.; Comley, Andrew J.; Foster, John M.

    2015-05-15

    In situ white light Laue diffraction has been successfully used to interrogate the structure of single crystal materials undergoing rapid (nanosecond) dynamic compression up to megabar pressures. However, information on strain state accessible via this technique is limited, reducing its applicability for a range of applications. We present an extension to the existing Laue diffraction platform in which we record the photon energy of a subset of diffraction peaks. This allows for a measurement of the longitudinal and transverse strains in situ during compression. Consequently, we demonstrate measurement of volumetric compression of the unit cell, in addition to the limited aspect ratio information accessible in conventional white light Laue. We present preliminary results for silicon, where only an elastic strain is observed. VISAR measurements show the presence of a two wave structure and measurements show that material downstream of the second wave does not contribute to the observed diffraction peaks, supporting the idea that this material may be highly disordered, or has undergone large scale rotation.

  9. Deconstructing time-resolved optical rotatory dispersion kinetic measurements of cytochrome c folding: from molten globule to the native state.

    PubMed

    Chen, Eefei; Kliger, David S

    2012-01-01

    The far-UV time-resolved optical rotatory dispersion (TRORD) technique has contributed significantly to our understanding of nanosecond secondary structure kinetics in protein folding and function reactions. For reduced cytochrome c, protein folding kinetics have been probed largely from the unfolded to the native state. Here we provide details about sample preparation and the TRORD apparatus and measurements for studying folding from a partly unfolded state to the native secondary structure conformation of reduced cytochrome c. PMID:22760330

  10. Time-Resolved X-Ray Reflectometry in the Multiwavelength Dispersive Geometry

    SciTech Connect

    Matsushita, Tadashi; Niwa, Yasuhiro; Arakawa, Etsuo; Harada, Tetsuo; Hatano, Tadashi; Higashi, Yasuo; Yano, Yohko F.; Inada, Yasuhiro; Nagano, Shusaku; Seki, Takahiro

    2010-06-23

    A new method of measuring specular X-ray reflectivity curves with a time resolution of milliseconds to seconds is developed. A horizontally convergent X-ray beam having a one-to-one correlation between its direction and energy is realized by a curved crystal or a laterally graded multilayer on an elliptic substrate. The X-ray beam is then incident on the surface of the specimen placed at the focus in such a way that the glancing angle in the vertical direction is the same for all X-ray components, which are reflected in the vertical direction by the surface and diverge in the horizontal plane. The perpendicular momentum transfer continuously changes as a function of the horizontal ray direction since the wavelength change similarly. The normalized linear intensity distribution across the beam direction measured downstream of the specimen represents the X-ray reflectivity curve. Examples of time-resolved measurements of X-ray reflectivity curves are shown.

  11. Complete momentum and energy resolved TOF electron spectrometerfor time-resolved photoemission spectroscopy

    SciTech Connect

    Hussain, Zahid; Lebedev, G.; Tremsin, A.; Siegmund, O.; Chen, Y.; Shen, Z.X.; Hussain, Z.

    2007-08-12

    Over the last decade, high-resolution Angle-Resolved Photoemission Spectroscopy (ARPES) has emerged as a tool of choice for studying the electronic structure of solids, in particular, strongly correlated complex materials such as cuprate superconductors. In this paper we present the design of a novel time-of-flight based electron analyzer with capability of 2D in momentum space (kx and ky) and all energies (calculated from time of flight) in the third dimension. This analyzer will utilize an improved version of a 2D delay linedetector capable of imaging with<35 mm (700x700 pixels) spatial resolution and better than 120 ps FWHM timing resolution. Electron optics concepts and optimization procedure are considered for achieving an energy resolution less than 1 meV and an angular resolution better than 0.11.

  12. Resolving high energy emission of jets using strong gravitational lensing

    NASA Astrophysics Data System (ADS)

    Barnacka, Anna

    2014-11-01

    Chandra observations of M87 in 2004 uncovered an outburst originating in distant knot along the jet hundreds of parsecs from the core. This discovery challenges our understanding of the origin of high energy flares. Current technology is inadequate to resolve jets at distances greater than M87, or observed at higher energies. We propose to use gravitationally lensed jets to investigate the structure of more distant sources. Photons emitted at different sites cross the lens plane at different distances, thus magnification ratios and time delays differ between the mirage images. Monitoring of flares from lensed jets reveals the origin of the emission. With detectors like Chandra, lensed systems are a tool for resolving the structure of the jets and for investigating their cosmic evolution.

  13. X-ray characterization by energy-resolved powder diffraction

    NASA Astrophysics Data System (ADS)

    Cheung, G.; Hooker, S. M.

    2016-08-01

    A method for single-shot, nondestructive characterization of broadband x-ray beams, based on energy-resolved powder diffraction, is described. Monte-Carlo simulations are used to simulate data for x-ray beams in the keV range with parameters similar to those generated by betatron oscillations in a laser-driven plasma accelerator. The retrieved x-ray spectra are found to be in excellent agreement with those of the input beams for realistic numbers of incident photons. It is demonstrated that the angular divergence of the x rays can be deduced from the deviation of the detected photons from the Debye-Scherrer rings which would be produced by a parallel beam. It is shown that the angular divergence can be measured as a function of the photon energy, yielding the angularly resolved spectrum of the input x-ray beam.

  14. Using dense locality sampling resolves the subtle genetic population structure of the dispersive fish species Plecoglossus altivelis.

    PubMed

    Takeshima, Hirohiko; Iguchi, Kei'ichiro; Hashiguchi, Yasuyuki; Nishida, Mutsumi

    2016-07-01

    In dispersive species with continuous distributions, genetic differentiation between local populations is often absent or subtle and thus difficult to detect. To incorporate such subtle differentiation into management plans, it may be essential to analyse many samples from many localities using adequate numbers of high-resolution genetic markers. Here, we evaluated the usefulness of dense locality sampling in resolving genetic population structure in the ayu (Plecoglossus altivelis), a dispersive fish important in Japanese inland fisheries. Genetic variability in, and differentiation between, ayu populations around the Japan-Ryukyu Archipelago were investigated in 4746 individuals collected from 120 localities by genotyping 12 microsatellite markers. These individuals represented the two subspecies of ayu, namely the Ryukyuan subspecies (Plecoglossus altivelis ryukyuensis) and both amphidromous and landlocked forms of the nominotypical subspecies (P. a. altivelis) along the archipelago. We successfully detected an absence of genetic differentiation within the landlocked form and subtle but significant differentiation and clear geographic patterns of genetic variation among populations of the amphidromous form, which had been considered genetically homogeneous. This suggests that dense locality sampling effectively resolves subtle differences in genetic population structure, reducing stochastic deviation in the detection of genetic differentiation and geographic patterns in local populations of this dispersive species. Resampling analyses based on empirical data sets clearly demonstrate the effectiveness of increasing the number of locality samples for stable and reliable estimations of genetic fixation indices. The genetic population structure observed within the amphidromous form provides useful information for identifying management or conservation units in ayu. PMID:27085501

  15. Optimal ''image-based'' weighting for energy-resolved CT

    SciTech Connect

    Schmidt, Taly Gilat

    2009-07-15

    This paper investigates a method of reconstructing images from energy-resolved CT data with negligible beam-hardening artifacts and improved contrast-to-nosie ratio (CNR) compared to conventional energy-weighting methods. Conceptually, the investigated method first reconstructs separate images from each energy bin. The final image is a linear combination of the energy-bin images, with the weights chosen to maximize the CNR in the final image. The optimal weight of a particular energy-bin image is derived to be proportional to the contrast-to-noise-variance ratio in that image. The investigated weighting method is referred to as ''image-based'' weighting, although, as will be described, the weights can be calculated and the energy-bin data combined prior to reconstruction. The performance of optimal image-based energy weighting with respect to CNR and beam-hardening artifacts was investigated through simulations and compared to that of energy integrating, photon counting, and previously studied optimal ''projection-based'' energy weighting. Two acquisitions were simulated: dedicated breast CT and a conventional thorax scan. The energy-resolving detector was simulated with five energy bins. Four methods of estimating the optimal weights were investigated, including task-specific and task-independent methods and methods that require a single reconstruction versus multiple reconstructions. Results demonstrated that optimal image-based weighting improved the CNR compared to energy-integrating weighting by factors of 1.15-1.6 depending on the task. Compared to photon-counting weighting, the CNR improvement ranged from 1.0 to 1.3. The CNR improvement factors were comparable to those of projection-based optimal energy weighting. The beam-hardening cupping artifact increased from 5.2% for energy-integrating weighting to 12.8% for optimal projection-based weighting, while optimal image-based weighting reduced the cupping to 0.6%. Overall, optimal image-based energy weighting

  16. Resolving precipitation-induced water content profiles through inversion of dispersive GPR data

    NASA Astrophysics Data System (ADS)

    Mangel, A. R.; Moysey, S. M.; Van Der Kruk, J.

    2015-12-01

    Ground-penetrating radar (GPR) has become a popular tool for monitoring hydrologic processes. When monitoring infiltration, the thin wetted zone that occurs near the ground surface at early times may act as a dispersive waveguide. This low-velocity layer traps the GPR waves, causing specific frequencies of the signal to travel at different phase velocities, confounding standard traveltime analysis. In a previous numerical study we demonstrated the potential of dispersion analysis for estimating the depth distribution of waveguide water contents. Here, we evaluate the effectiveness of the methodology when applying it to experimental time-lapse dispersive GPR data collected during a laboratory infiltration experiment in a relatively homogenous soil. A large sand-filled tank is equipped with an automated gantry to independently control the position of 1000 MHz source and receiver antennas. The system was programmed to repeatedly collect a common mid-point (CMP) profile at the center of the tank followed by two constant offset profiles (COP) in the x and y direction. Each collection was completed in 30 s and repeated 50 times during a 28 min experiment. Two minutes after the start of measurements, the surface of the sand was irrigated at a constant flux rate of 0.006 cm/sec for 23 minutes. Time-lapse COPs show increases in traveltime to reflectors in the tank associated with increasing water content, as well as the development of a wetting front reflection. From 4-10 min, the CMPs show a distinct shingling characteristic that is indicative of waveguide dispersion. Forward models where the waveguide is conceptualized as discrete layers and a piece-wise linear function were used to invert picked dispersion curves for waveguide properties. We show the results from both inversion approaches for multiple dispersive CMPs and show how the single layer model fails to represent the gradational nature of the wetting front.

  17. Visible/Infrared Imaging Spectroscopy and Energy-Resolving Detectors

    NASA Astrophysics Data System (ADS)

    Eisenhauer, Frank; Raab, Walfried

    2015-08-01

    Imaging spectroscopy has seen rapid progress over the past 25 years, leading to breakthroughs in many fields of astronomy that would not have been otherwise possible. This review overviews the visible/infrared imaging spectroscopy techniques as well as energy-resolving detectors. We introduce the working principle of scanning Fabry-Perot and Fourier transform spectrometers and explain the most common integral field concepts based on mirror slicers, lenslet arrays, and fibers. The main advantage of integral field spectrographs is the simultaneous measurement of spatial and spectral information. Although Fabry-Perot and Fourier transform spectrometers can provide a larger field of view, it is ultimately the higher sensitivity of integral field units that make them the technique of choice. This is arguably the case for image slicers, which make the most efficient use of the available detector pixels and have equal or higher transmission than lenslet arrays and fiber integral field units, respectively. We also address the more specific issues of large étendue operation, focal ratio degradation, anamorphic magnification, and diffraction-limited operation. This review also covers the emerging technology of energy-resolving detectors, which promise very simple and efficient instrument designs. These energy-resolving detectors are based on superconducting thin film technology and exploit either the very small superconducting energy to count the number of quasi-particles excited in the absorption of the photon or the extremely steep phase transition between the normal- and superconducting phase to measure a temperature increase. We have put special emphasis on an overview of the underlying physical phenomena as well as on the recent technological progress and astronomical path finder experiments.

  18. The Dark Energy Survey: Prospects for resolved stellar populations

    SciTech Connect

    Rossetto, Bruno M.; Santiago, Basílio X.; Girardi, Léo; Camargo, Julio I. B.; Balbinot, Eduardo; da Costa, Luiz N.; Yanny, Brian; Maia, Marcio A. G.; Makler, Martin; Ogando, Ricardo L. C.; Pellegrini, Paulo S.; Ramos, Beatriz; de Simoni, Fernando; Armstrong, R.; Bertin, E.; Desai, S.; Kuropatkin, N.; Lin, H.; Mohr, J. J.; Tucker, D. L.

    2011-05-06

    Wide angle and deep surveys, regardless of their primary purpose, always sample a large number of stars in the Galaxy and in its satellite system. We here make a forecast of the expected stellar sample resulting from the Dark Energy Survey and the perspectives that it will open for studies of Galactic structure and resolved stellar populations in general. An estimated 1.2 x 108 stars will be sampled in DES grizY filters in the southern equatorial hemisphere. This roughly corresponds to 20% of all DES sources. Most of these stars belong to the stellar thick disk and halo of the Galaxy.

  19. Electron Microburst Energy Dispersion Derived by Test Particle Simulation Code

    NASA Astrophysics Data System (ADS)

    Lee, J.; Parks, G. K.; Park, Y.; Tsurutani, B.

    2011-12-01

    Electron microbursts, energetic electron precipitation having duration less than 1 sec, have been thought to be generated by chorus wave and electron interactions. While the coincidence of chorus and microburst occurrence supports the wave-particle interaction theory, more crucial evidences have not been observed to explain the origin of microbursts. We think one of the observational evidences could be energy dispersion of microbursts. During chorus waves propagate along magnetic field, the resonance condition should be satisfied at different magnetic latitude for different energy electrons because chorus waves are coherent waves having narrow frequency band and electron microbursts have wide energy range, at least several hundreds KeV. If we observed electron microbursts at low altitude, the arrival time of different energy electrons should make unique energy dispersion structures. In order to observe the energy dispersion, we need a detector having fast time resolution and wide energy range. Our study is focused on defining the time resolution and energy range required to measure microburst energy dispersion. We performed test particles simulation interacting with simple coherent waves like chorus waves. By the wave-particle interaction, energetic electrons (test particles) changed pitch angles and some electrons were detected with energy dispersion at 600 km. We assumed a detector measuring microbursts at the altitude of 600 km. These results provide useful information in designing electron detectors for the future mission.

  20. Energy-resolved computed tomography: first experimental results

    NASA Astrophysics Data System (ADS)

    Shikhaliev, Polad M.

    2008-10-01

    First experimental results with energy-resolved computed tomography (CT) are reported. The contrast-to-noise ratio (CNR) in CT has been improved with x-ray energy weighting for the first time. Further, x-ray energy weighting improved the CNR in material decomposition CT when applied to CT projections prior to dual-energy subtraction. The existing CT systems use an energy (charge) integrating x-ray detector that provides a signal proportional to the energy of the x-ray photon. Thus, the x-ray photons with lower energies are scored less than those with higher energies. This underestimates contribution of lower energy photons that would provide higher contrast. The highest CNR can be achieved if the x-ray photons are scored by a factor that would increase as the x-ray energy decreases. This could be performed by detecting each x-ray photon separately and measuring its energy. The energy selective CT data could then be saved, and any weighting factor could be applied digitally to a detected x-ray photon. The CT system includes a photon counting detector with linear arrays of pixels made from cadmium zinc telluride (CZT) semiconductor. A cylindrical phantom with 10.2 cm diameter made from tissue-equivalent material was used for CT imaging. The phantom included contrast elements representing calcifications, iodine, adipose and glandular tissue. The x-ray tube voltage was 120 kVp. The energy selective CT data were acquired, and used to generate energy-weighted and material-selective CT images. The energy-weighted and material decomposition CT images were generated using a single CT scan at a fixed x-ray tube voltage. For material decomposition the x-ray spectrum was digitally spilt into low- and high-energy parts and dual-energy subtraction was applied. The x-ray energy weighting resulted in CNR improvement of calcifications and iodine by a factor of 1.40 and 1.63, respectively, as compared to conventional charge integrating CT. The x-ray energy weighting was also applied

  1. A continuum solvent model of the multipolar dispersion solvation energy.

    PubMed

    Duignan, Timothy T; Parsons, Drew F; Ninham, Barry W

    2013-08-15

    The dispersion energy is an important contribution to the total solvation energies of ions and neutral molecules. Here, we present a new continuum model calculation of these energies, based on macroscopic quantum electrodynamics. The model uses the frequency dependent multipole polarizabilities of molecules in order to accurately calculate the dispersion interaction of a solute particle with surrounding water molecules. It includes the dipole, quadrupole, and octupole moment contributions. The water is modeled via a bulk dielectric susceptibility with a spherical cavity occupied by the solute. The model invokes damping functions to account for solute-solvent wave function overlap. The assumptions made are very similar to those used in the Born model. This provides consistency and additivity of electrostatic and dispersion (quantum mechanical) interactions. The energy increases in magnitude with cation size, but decreases slightly with size for the highly polarizable anions. The higher order multipole moments are essential, making up more than 50% of the dispersion solvation energy of the fluoride ion. This method provides an accurate and simple way of calculating the notoriously problematic dispersion contribution to the solvation energy. The result establishes the importance of using accurate calculations of the dispersion energy for the modeling of solvation. PMID:23837890

  2. Site-specific intermolecular valence-band dispersion in α-phase crystalline films of cobalt phthalocyanine studied by angle-resolved photoemission spectroscopy

    SciTech Connect

    Yamane, Hiroyuki; Kosugi, Nobuhiro

    2014-12-14

    The valence band structure of α-phase crystalline films of cobalt phthalocyanine (CoPc) grown on Au(111) is investigated by using angle-resolved photoemission spectroscopy (ARPES) with synchrotron radiation. The photo-induced change in the ARPES peaks is noticed in shape and energy of the highest occupied molecular orbital (HOMO, C 2p) and HOMO-1 (Co 3d) of CoPc, and is misleading the interpretation of the electronic properties of CoPc films. From the damage-free normal-emission ARPES measurement, the clear valence-band dispersion has been first observed, showing that orbital-specific behaviors are attributable to the interplay of the intermolecular π-π and π-d interactions. The HOMO band dispersion of 0.1 eV gives the lower limit of the hole mobility for α-CoPc of 28.9 cm{sup 2} V{sup −1} s{sup −1} at 15 K. The non-dispersive character of the split HOMO-1 bands indicates that the localization of the spin state is a possible origin of the antiferromagnetism.

  3. Crossing statistic: Bayesian interpretation, model selection and resolving dark energy parametrization problem

    SciTech Connect

    Shafieloo, Arman

    2012-05-01

    By introducing Crossing functions and hyper-parameters I show that the Bayesian interpretation of the Crossing Statistics [1] can be used trivially for the purpose of model selection among cosmological models. In this approach to falsify a cosmological model there is no need to compare it with other models or assume any particular form of parametrization for the cosmological quantities like luminosity distance, Hubble parameter or equation of state of dark energy. Instead, hyper-parameters of Crossing functions perform as discriminators between correct and wrong models. Using this approach one can falsify any assumed cosmological model without putting priors on the underlying actual model of the universe and its parameters, hence the issue of dark energy parametrization is resolved. It will be also shown that the sensitivity of the method to the intrinsic dispersion of the data is small that is another important characteristic of the method in testing cosmological models dealing with data with high uncertainties.

  4. Nitrogenase FeMoco investigated by spatially resolved anomalous dispersion refinement

    PubMed Central

    Spatzal, Thomas; Schlesier, Julia; Burger, Eva-Maria; Sippel, Daniel; Zhang, Limei; Andrade, Susana L.A.; Rees, Douglas C.; Einsle, Oliver

    2016-01-01

    The [Mo:7Fe:9S:C] iron-molybdenum cofactor (FeMoco) of nitrogenase is the largest known metal cluster and catalyses the 6-electron reduction of dinitrogen to ammonium in biological nitrogen fixation. Only recently its atomic structure was clarified, while its reactivity and electronic structure remain under debate. Here we show that for its resting S=3/2 state the common iron oxidation state assignments must be reconsidered. By a spatially resolved refinement of the anomalous scattering contributions of the 7 Fe atoms of FeMoco, we conclude that three irons (Fe1/3/7) are more reduced than the other four (Fe2/4/5/6). Our data are in agreement with the recently revised oxidation state assignment for the molybdenum ion, providing the first spatially resolved picture of the resting-state electron distribution within FeMoco. This might provide the long-sought experimental basis for a generally accepted theoretical description of the cluster that is in line with available spectroscopic and functional data. PMID:26973151

  5. Single atom identification by energy dispersive x-ray spectroscopy

    SciTech Connect

    Lovejoy, T. C.; Dellby, N.; Krivanek, O. L.; Ramasse, Q. M.; Falke, M.; Kaeppel, A.; Terborg, R.; Zan, R.

    2012-04-09

    Using aberration-corrected scanning transmission electron microscope and energy dispersive x-ray spectroscopy, single, isolated impurity atoms of silicon and platinum in monolayer and multilayer graphene are identified. Simultaneously acquired electron energy loss spectra confirm the elemental identification. Contamination difficulties are overcome by employing near-UHV sample conditions. Signal intensities agree within a factor of two with standardless estimates.

  6. Dispersal

    USGS Publications Warehouse

    Clobert, J.; Danchin, E.; Dhondt, A.A.; Nichols, J.D.

    2001-01-01

    The ability of species to migrate and disperse is a trait that has interested ecologists for many years. Now that so many species and ecosystems face major environmental threats from habitat fragmentation and global climate change, the ability of species to adapt to these changes by dispersing, migrating, or moving between patches of habitat can be crucial to ensuring their survival. This book provides a timely and wide-ranging overview of the study of dispersal and incorporates much of the latest research. The causes, mechanisms, and consequences of dispersal at the individual, population, species and community levels are considered. The potential of new techniques and models for studying dispersal, drawn from molecular biology and demography, is also explored. Perspectives and insights are offered from the fields of evolution, conservation biology and genetics. Throughout the book, theoretical approaches are combined with empirical data, and care has been taken to include examples from as wide a range of species as possible.

  7. Vacuum field energy and spontaneous emission in anomalously dispersive cavities

    SciTech Connect

    Bradshaw, Douglas H.; Di Rosa, Michael D.

    2011-05-15

    Anomalously dispersive cavities, particularly white-light cavities, may have larger bandwidth to finesse ratios than their normally dispersive counterparts. Partly for this reason, they have been proposed for use in laser interferometer gravitational-wave observatory (LIGO)-like gravity-wave detectors and in ring-laser gyroscopes. In this paper we analyze the quantum noise associated with anomalously dispersive cavity modes. The vacuum field energy associated with a particular cavity mode is proportional to the cavity-averaged group velocity of that mode. For anomalously dispersive cavities with group index values between 1 and 0, this means that the total vacuum field energy associated with a particular cavity mode must exceed ({h_bar}/2{pi}){omega}/2. For white-light cavities in particular, the group index approaches zero and the vacuum field energy of a particular spatial mode may be significantly enhanced. We predict enhanced spontaneous emission rates into anomalously dispersive cavity modes and broadened laser linewidths when the linewidth of intracavity emitters is broader than the cavity linewidth.

  8. Hypothalamic inflammation and energy homeostasis: resolving the paradox.

    PubMed

    Thaler, Joshua P; Choi, Sun Ju; Schwartz, Michael W; Wisse, Brent E

    2010-01-01

    resolving the paradox surrounding the effect of inflammatory signaling on energy homeostasis.

  9. Integrated assessment of dispersed energy resources deployment

    SciTech Connect

    Marnay, Chris; Blanco, Raquel; Hamachi, Kristina S.; Kawaan, Cornelia P.; Osborn, Julie G.; Rubio, F. Javier

    2000-06-01

    The goal of this work is to create an integrated framework for forecasting the adoption of distributed energy resources (DER), both by electricity customers and by the various institutions within the industry itself, and for evaluating the effect of this adoption on the power system, particularly on the overall reliability and quality of electrical service to the end user. This effort and follow on contributions are intended to anticipate and explore possible patterns of DER deployment, thereby guiding technical work on microgrids towards the key technical problems. An early example of this process addressed is the question of possible DER adopting customer disconnection. A deployment scenario in which many customers disconnect from their distribution company (disco) entirely leads to a quite different set of technical problems than a scenario in which customers self generate a significant share or all of their on-site electricity requirements and additionally buy and sell energy and ancillary services (AS) locally and/or into wider markets. The exploratory work in this study suggests that the economics under which customers disconnect entirely are unlikely.

  10. Energy Dispersive X-ray Tomography for 3D Elemental Mapping of Individual Nanoparticles

    PubMed Central

    Slater, Thomas J. A.; Lewis, Edward A.; Haigh, Sarah J.

    2016-01-01

    Energy dispersive X-ray spectroscopy within the scanning transmission electron microscope (STEM) provides accurate elemental analysis with high spatial resolution, and is even capable of providing atomically resolved elemental maps. In this technique, a highly focused electron beam is incident upon a thin sample and the energy of emitted X-rays is measured in order to determine the atomic species of material within the beam path. This elementally sensitive spectroscopy technique can be extended to three dimensional tomographic imaging by acquiring multiple spectrum images with the sample tilted along an axis perpendicular to the electron beam direction. Elemental distributions within single nanoparticles are often important for determining their optical, catalytic and magnetic properties. Techniques such as X-ray tomography and slice and view energy dispersive X-ray mapping in the scanning electron microscope provide elementally sensitive three dimensional imaging but are typically limited to spatial resolutions of > 20 nm. Atom probe tomography provides near atomic resolution but preparing nanoparticle samples for atom probe analysis is often challenging. Thus, elementally sensitive techniques applied within the scanning transmission electron microscope are uniquely placed to study elemental distributions within nanoparticles of dimensions 10-100 nm. Here, energy dispersive X-ray (EDX) spectroscopy within the STEM is applied to investigate the distribution of elements in single AgAu nanoparticles. The surface segregation of both Ag and Au, at different nanoparticle compositions, has been observed. PMID:27403838

  11. Imaging electronic motions in atoms by energy-resolved ultrafast electron diffraction

    NASA Astrophysics Data System (ADS)

    Shao, Hua-Chieh; Starace, Anthony F.

    2014-09-01

    We propose energy-resolved ultrafast electron diffraction as a means of directly imaging target electronic motions whose space, time, and energy information can be simultaneously retrieved from time-resolved diffraction measurements. The energy-resolved diffraction images are simulated for breathing, wiggling, and hybrid modes of electronic motion in the H atom. The simulations demonstrate the capabilities of ultrafast electron diffraction to image and distinguish different kinds of electronic motion. The theoretical analysis of the scattering process identifies the requirements for time- and state-resolved imaging of electronic motion and provides interpretations of the results.

  12. Inverse energy dispersion of energetic ions observed in the magnetosheath

    NASA Astrophysics Data System (ADS)

    Lee, S. H.; Sibeck, D. G.; Hwang, K.-J.; Wang, Y.; Silveira, M. V. D.; Fok, M.-C.; Mauk, B. H.; Cohen, I. J.; Ruohoniemi, J. M.; Kitamura, N.; Burch, J. L.; Giles, B. L.; Torbert, R. B.; Russell, C. T.; Lester, M.

    2016-07-01

    We present a case study of energetic ions observed by the Energetic Particle Detector (EPD) on the Magnetospheric Multiscale spacecraft in the magnetosheath just outside the subsolar magnetopause that occurred at 1000 UT on 8 December 2015. As the magnetopause receded inward, the EPD observed a burst of energetic (˜50-1000 keV) proton, helium, and oxygen ions that exhibited an inverse dispersion, with the lowest energy ions appearing first. The prolonged interval of fast antisunward flow observed in the magnetosheath and transient increases in the H components of global ground magnetograms demonstrate that the burst appeared at a time when the magnetosphere was rapidly compressed. We attribute the inverse energy dispersion to the leakage along reconnected magnetic field lines of betatron-accelerated energetic ions in the magnetosheath, and a burst of reconnection has an extent of about 1.5 RE using combined Super Dual Auroral Radar Network radar and EPD observations.

  13. Femtosecond time-resolved X-ray absorption spectroscopy of liquid using a hard X-ray free electron laser in a dual-beam dispersive detection method.

    PubMed

    Obara, Yuki; Katayama, Tetsuo; Ogi, Yoshihiro; Suzuki, Takayuki; Kurahashi, Naoya; Karashima, Shutaro; Chiba, Yuhei; Isokawa, Yusuke; Togashi, Tadashi; Inubushi, Yuichi; Yabashi, Makina; Suzuki, Toshinori; Misawa, Kazuhiko

    2014-01-13

    We present femtosecond time-resolved X-ray absorption spectroscopy of aqueous solution using a hard x-ray free electron laser (SACLA) and a synchronized Ti:sapphire laser. The instrumental response time is 200 fs, and the repetition rate of measurement is 10 Hz. A cylindrical liquid beam 100 μm in diameter of aqueous ammonium iron(III) oxalate solution is photoexcited at 400 nm, and the transient X-ray absorption spectra are measured in the K-edge region of iron, 7.10 - 7.26 keV, using a dual X-ray beam dispersive detection method. Each of the dual beams has the pulse energy of 1.4 μJ, and pump-induced absorbance change on the order of 10(-3) is successfully detected. The photoexcited iron complex exhibits a red shifted iron K-edge with the appearance time constant of 260 fs. The X-ray absorption difference spectra, with and without the pump pulses, are independent of time delay after 1.5 ps up to 100 ps, indicating that the photoexcited species is long-lived.

  14. Electromagnetic energy dispersion in a 5D universe

    SciTech Connect

    Hartnett, John G.

    2010-06-15

    Electromagnetism is analyzed in a 5D expanding universe. Compared to the usual 4D description of electrodynamics it can be viewed as adding effective charge and current densities to the universe that are static in time. These lead to effective polarization and magnetization of the vacuum, which is most significant at high redshift. Electromagnetic waves propagate but group and phase velocities are dispersive. This introduces a new energy scale to the cosmos. And as a result electromagnetic waves propagate with superluminal speeds but no energy is transmitted faster than the canonical speed of light c.

  15. Energy dispersive photon counting detectors for breast imaging

    NASA Astrophysics Data System (ADS)

    Barber, William C.; Wessel, Jan C.; Malakhov, Nail; Wawrzyniak, Gregor; Hartsough, Neal E.; Gandhi, Thulasidharan; Nygard, Einar; Iwanczyk, Jan S.

    2013-09-01

    We report on our efforts toward the development of silicon (Si) strip detectors for energy-resolved clinical breast imaging. Typically, x-ray integrating detectors based on scintillating cesium iodide CsI(Tl) or amorphous selenium (a- Se) are used in most commercial systems. Recently, mammography instrumentation has been introduced based on photon counting silicon Si strip detectors. Mammography requires high flux from the x-ray generator, therefore, in order to achieve energy resolved single photon counting, a high output count rate (OCR) for the detector must be achieved at the required spatial resolution and across the required dynamic range for the application. The required performance in terms of the OCR, spatial resolution, and dynamic range must be obtained with sufficient field of view (FOV) for the application thus requiring the tiling of pixel arrays and scanning techniques. Room temperature semiconductors, operating as direct conversion x-ray sensors, can provide the required speed when connected to application specific integrated circuits (ASICs) operating at fast peaking times with multiple fixed thresholds per pixel, provided that the sensors are designed for rapid signal formation across the x-ray energy ranges of the application at the required energy and spatial resolutions. We present our methods and results from the optimization of prototype detectors based on Si strip structures. We describe the detector optimization and the development of ASIC readout electronics that provide the required spatial resolution, low noise, high count rate capabilities and minimal power consumption.

  16. Energy Dispersive Spectrometry and Quantitative Analysis Short Course. Introduction to X-ray Energy Dispersive Spectrometry and Quantitative Analysis

    NASA Technical Reports Server (NTRS)

    Carpenter, Paul; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    This course will cover practical applications of the energy-dispersive spectrometer (EDS) to x-ray microanalysis. Topics covered will include detector technology, advances in pulse processing, resolution and performance monitoring, detector modeling, peak deconvolution and fitting, qualitative and quantitative analysis, compositional mapping, and standards. An emphasis will be placed on use of the EDS for quantitative analysis, with discussion of typical problems encountered in the analysis of a wide range of materials and sample geometries.

  17. A universal high energy anomaly in angle resolved photoemissionspectra of high temperature superconductors -- possible evidence ofspinon and holon branches

    SciTech Connect

    Graf, J.; Gweon, G.-H.; McElroy, K.; Zhou, S.Y.; Jozwiak, C.; Rotenberg, E.; Bill, A.; Sasagawa, T.; Eisaki, H.; Uchida, S.; Takagi,H.; Lee, D.-H.; Lanzara A.

    2006-12-19

    A universal high energy anomaly in the single particlespectral function is reported in three different families of hightemperature superconductors by using angle-resolved photoemissionspectroscopy. As we follow the dispersing peak of the spectral functionfrom the Fermi energy to the valence band complex, we find dispersionanomalies marked by two distinctive high energy scales, E_1 approx 0.38eV and E_2 approx 0.8 eV. E_1 marks the energy above which the dispersionsplits into two branches. One is a continuation of the near parabolicdispersion, albeit with reduced spectral weight, and reaches the bottomof the band at the Gamma point at approx 0.5 eV. The other is given by apeak in the momentum space, nearly independent of energy between E_1 andE_2. Above E_2, a band-like dispersion re-emerges. We conjecture thatthese two energies mark the disintegration of the low energyquasiparticles into a spinon and holon branch in the high T_c cuprates.

  18. Energy-entropy dispersion relation in DNA sequences

    NASA Astrophysics Data System (ADS)

    Nowak, H.; Haeussler, P.

    2013-10-01

    For a number of virus- and bacterium genomes we use the concept of block entropy from information theory and compare it with the corresponding configurational energy, defined via the ionization energies of the nucleotides and a hopping term for their interactions in the sense of a tight-binding model. Additionally to the four-letter alphabet of the nucleotides we discuss a reduction to a two-letter alphabet. We find a well defined relation between block entropy and block energy for a not too large block length which can be interpreted as a generalized dispersion relation for all genome sequences. The relation can be used to look for enhanced interactions between virus and bacterium genomes. Well known examples for virus-virus and virus-bacterium interactions are analyzed along this line.

  19. Time-resolved electron beam energy spectrum diagnostics for Vanderbilt FEL

    NASA Astrophysics Data System (ADS)

    Feng, Bibo; Kozub, John A.; Gabella, William E.

    2002-06-01

    A fast electron energy spectrometer has been built using a photodiode array measuring the backward optical transition radiation from a thin film of aluminum. The resolution of the electron energy spectrometer is about 0.2% with a time resolution of 50 ns. The maximum energy spread that can be measured is 6.4%. We present the measurements of the time-resolved electron beam energy spectrum on the Mark III linear accelerator at Vanderbilt University, while lasing at different wavelengths and while not lasing. We also discuss the effects of different parameters, such as cathode heating, alpha magnet strength and RF phase, on the electron energy spectrum and optical spectrum. The diagnostics of time-resolved electron energy spectrum and time-resolved laser spectrum provide the technology to understand the physical process of the FEL interaction. Based on these diagnostics, the FEL facility can realize some special modes of operation, such as macropulse chirping and macropulse two color lasing.

  20. Note: A new angle-resolved proton energy spectrometer

    SciTech Connect

    Zheng, Y.; Su, L. N.; Liu, M.; Liu, B. C.; Shen, Z. W.; Fan, H. T.; Li, Y. T.; Chen, L. M.; Lu, X.; Ma, J. L.; Wang, W. M.; Wang, Z. H.; Wei, Z. Y.; Zhang, J.

    2013-09-15

    In typical laser-driven proton acceleration experiments Thomson parabola proton spectrometers are used to measure the proton spectra with very small acceptance angle in specific directions. Stacks composed of CR-39 nuclear track detectors, imaging plates, or radiochromic films are used to measure the angular distributions of the proton beams, respectively. In this paper, a new proton spectrometer, which can measure the spectra and angular distributions simultaneously, has been designed. Proton acceleration experiments performed on the Xtreme light III laser system demonstrates that the spectrometer can give angle-resolved spectra with a large acceptance angle. This will be conductive to revealing the acceleration mechanisms, optimization, and applications of laser-driven proton beams.

  1. Bose gas with generalized dispersion relation plus an energy gap

    NASA Astrophysics Data System (ADS)

    Solis, M. A.; Martinez, J. G.; Garcia, J.

    We report the critical temperature, the condensed fraction, the internal energy and the specific heat for a d-dimensional Bose gas with a generalized dispersion relation plus an energy gap, i.e., ɛ =ɛ0 for k = 0 and ɛ =ɛ0 + Δ +csks , for k > 0 , where ℏk is the particle momentum, ɛ0 the lowest particle energy, cs a constant with dimension of energy multiplied by a length to the power s > 0 . When Δ > 0 , a Bose-Einstein critical temperature Tc ≠ 0 exists for any d / s >= 0 at which the internal energy shows a peak and the specific heat shows a jump. The critical temperature and the specific heat jump increase as functions of the gap but they decrease as functions of d / s . Thermodynamic properties are ɛ0 independent since this is just a reference energy. For Δ = 0 we recover the results reported in Ref. [1]. V. C. Aguilera-Navarro, M. de Llano y M. A. Solís, Eur. J. Phys. 20, 177 (1999). We acknowledge partial support from Grants PAPIIT IN111613 and CONACyT 221030.

  2. High pressure dynamic XAS studies using an energy-dispersive spectrometer

    NASA Astrophysics Data System (ADS)

    Mathon, O.; Occelli, F.; Lescoute, E.; Sollier, A.; Loubeyre, P.; Helsby, W.; Headspith, J.; Torchio, R.; Kantor, I.; Pascarelli, S.

    2016-07-01

    We present in this paper recent advances in the high pressure domain provided by the introduction of time-resolved energy-dispersive XAS (EDXAS) techniques at synchrotrons. We highlight technical aspects and describe two modes of acquisition: the 'movie' mode, where the time resolution is given by the detector acquisition speed and the 'pump-and-probe' mode, where the time resolution is given by the delay between the pump and the probe. These two modes define a frontier in the time resolution, respectively above and below the ∼10 μs regime. In the former, examples of applications are chemical stability and reactions at high pressure and high temperature or probing the warm dense matter regime using rapid current ramps. In the latter, an example is given on studies of dynamically compressed matter, by coupling single-bunch EDXAS at high-brilliance synchrotron to a nanosecond high-power laser.

  3. Synchrotron energy-dispersive X-ray diffraction tomography

    NASA Astrophysics Data System (ADS)

    Hall, C.; Barnes, P.; Cockcroft, J. K.; Colston, S. L.; Häusermann, D.; Jacques, S. D. M.; Jupe, A. C.; Kunz, M.

    1998-04-01

    Energy-dispersive diffraction tomography using white-beam synchrotron X-rays with energies up to 140 keV yields images of the interior features of solid objects up to 50 mm thick. The volume sampled is determined by the geometry of the diffracting lozenge defined by the incident beam, the detector system collimation and the Bragg angle. Using conventional beam slits to form a highly collimated 50 μm × 50 μm incident beam and a 40 μm collimator aperture, we demonstrate on a PEEK phantom that a lateral resolution (transverse to the beam direction) of a few microns can be achieved. The resolution in the direction of the incident beam is necessarily poorer than this since the diffracting lozenge is elongated in this direction, with length increasing rapidly at small angles. There is no evidence of significant contamination of the diffracted intensity by the effects of multiple scattering from outside the primary lozenge.

  4. Resolving Shifting Patterns of Muscle Energy Use in Swimming Fish

    PubMed Central

    Gerry, Shannon P.; Ellerby, David J.

    2014-01-01

    Muscle metabolism dominates the energy costs of locomotion. Although in vivo measures of muscle strain, activity and force can indicate mechanical function, similar muscle-level measures of energy use are challenging to obtain. Without this information locomotor systems are essentially a black box in terms of the distribution of metabolic energy. Although in situ measurements of muscle metabolism are not practical in multiple muscles, the rate of blood flow to skeletal muscle tissue can be used as a proxy for aerobic metabolism, allowing the cost of particular muscle functions to be estimated. Axial, undulatory swimming is one of the most common modes of vertebrate locomotion. In fish, segmented myotomal muscles are the primary power source, driving undulations of the body axis that transfer momentum to the water. Multiple fins and the associated fin muscles also contribute to thrust production, and stabilization and control of the swimming trajectory. We have used blood flow tracers in swimming rainbow trout (Oncorhynchus mykiss) to estimate the regional distribution of energy use across the myotomal and fin muscle groups to reveal the functional distribution of metabolic energy use within a swimming animal for the first time. Energy use by the myotomal muscle increased with speed to meet thrust requirements, particularly in posterior myotomes where muscle power outputs are greatest. At low speeds, there was high fin muscle energy use, consistent with active stability control. As speed increased, and fins were adducted, overall fin muscle energy use declined, except in the caudal fin muscles where active fin stiffening is required to maintain power transfer to the wake. The present data were obtained under steady-state conditions which rarely apply in natural, physical environments. This approach also has potential to reveal the mechanical factors that underlie changes in locomotor cost associated with movement through unsteady flow regimes. PMID:25165858

  5. Truncation-based energy weighting string method for efficiently resolving small energy barriers.

    PubMed

    Carilli, Michael F; Delaney, Kris T; Fredrickson, Glenn H

    2015-08-01

    The string method is a useful numerical technique for resolving minimum energy paths in rare-event barrier-crossing problems. However, when applied to systems with relatively small energy barriers, the string method becomes inconvenient since many images trace out physically uninteresting regions where the barrier has already been crossed and recrossing is unlikely. Energy weighting alleviates this difficulty to an extent, but typical implementations still require the string's endpoints to evolve to stable states that may be far from the barrier, and deciding upon a suitable energy weighting scheme can be an iterative process dependent on both the application and the number of images used. A second difficulty arises when treating nucleation problems: for later images along the string, the nucleus grows to fill the computational domain. These later images are unphysical due to confinement effects and must be discarded. In both cases, computational resources associated with unphysical or uninteresting images are wasted. We present a new energy weighting scheme that eliminates all of the above difficulties by actively truncating the string as it evolves and forcing all images, including the endpoints, to remain within and cover uniformly a desired barrier region. The calculation can proceed in one step without iterating on strategy, requiring only an estimate of an energy value below which images become uninteresting.

  6. Momentum-Dependent Charge Transfer Excitations in Sr2CuO 2Cl2 Angle-Resolved Electron Energy Loss Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wang, Y. Y.; Zhang, F. C.; Dravid, V. P.; Ng, K. K.; Klein, M. V.; Schnatterly, S. E.; Miller, L. L.

    1996-08-01

    Electron-hole pair excitations in the insulating cuprates Sr2CuO2Cl2 were investigated by angle-resolved electron energy loss spectroscopy. The optically allowed and optically forbidden transitions were observed to be strongly anisotropic in Cu-O2 plane. The former show a large energy dispersion ~1.5 eV along [110], and the latter appear at a higher energy position (~4.5 eV) only along [100], but not along [110]. We interpret these results as transitions involving excitons. A small exciton model is examined to explain both the observed features.

  7. Complete characterization of a self-mode-locked ti:sapphire laser in the vicinity of zero group-delay dispersion by frequency-resolved optical gating.

    PubMed

    Dudley, J M; Boussen, S M; Cameron, D M; Harvey, J D

    1999-05-20

    The intensity and the phase of ultrashort pulses from a self-mode-locked Ti:sapphire laser operating in the vicinity of zero group-delay dispersion (GDD) have been completely characterized by the technique of frequency-resolved optical gating (FROG). For small values of negative GDD, the appearance of a dispersive wave in the pulse spectrum is manifested in the measured FROG trace, and pulse retrieval directly shows its association with a broad leading-edge pedestal. For positive GDD, we confirm previous experimental observations of picosecond pulses with large positive chirp and report a new operating regime in which the output pulses are of picosecond duration but are intensity modulated at 20 THz. The physical origin of this modulation is discussed by analogy with similar effects observed during pulse propagation in optical fibers, and the experimental results are compared with a model of intracavity four-wave mixing about the cavity zero GDD wavelength. PMID:18319926

  8. Inter-phase heat transfer and energy coupling in turbulent dispersed multiphase flows

    NASA Astrophysics Data System (ADS)

    Ling, Y.; Balachandar, S.; Parmar, M.

    2016-03-01

    The present paper addresses important fundamental issues of inter-phase heat transfer and energy coupling in turbulent dispersed multiphase flows through scaling analysis. In typical point-particle or two-fluid approaches, the fluid motion and convective heat transfer at the particle scale are not resolved and the momentum and energy coupling between fluid and particles are provided by proper closure models. By examining the kinetic energy transfer due to the coupling forces from the macroscale to microscale fluid motion, closure models are obtained for the contributions of the coupling forces to the energy coupling. Due to the inviscid origin of the added-mass force, its contribution to the microscale kinetic energy does not contribute to dissipative transfer to fluid internal energy as was done by the quasi-steady force. Time scale analysis shows that when the particle is larger than a critical diameter, the diffusive-unsteady kernel decays at a time scale that is smaller than the Kolmogorov time scale. As a result, the computationally costly Basset-like integral form of diffusive-unsteady heat transfer can be simplified to a non-integral form. Conventionally, the fluid-to-particle volumetric heat capacity ratio is used to evaluate the relative importance of the unsteady heat transfer to the energy balance of the particles. Therefore, for gas-particle flows, where the fluid-to-particle volumetric heat capacity ratio is small, unsteady heat transfer is usually ignored. However, the present scaling analysis shows that for small fluid-to-particle volumetric heat capacity ratio, the importance of the unsteady heat transfer actually depends on the ratio between the particle size and the Kolmogorov scale. Furthermore, the particle mass loading multiplied by the heat capacity ratio is usually used to estimate the importance of the thermal two-way coupling effect. Through scaling argument, improved estimates are established for the energy coupling parameters of each

  9. Imaging Dispersive Energy Analyzer (IDEA) for Ionosphere-Thermosphere Measurements

    NASA Astrophysics Data System (ADS)

    Syrstad, E. A.; Fenn, D.; Watson, M.; Schicker, S.; Smith, B.

    2011-12-01

    We present a new instrument concept for in situ satellite-based measurement of ion drifts / neutral winds, temperature, density, and composition. The Imaging Dispersive Energy Analyzer (IDEA) combines high-throughput dispersive energy analysis with 2-D imaging ion detection to provide complete characterization of the velocity distribution of a charged particle stream. The IDEA deflector operates at a small (<15 V) d.c. potential, with no voltage scanning necessary. All ions transmitted through the entrance collimator are deflected according to kinetic energy and detected by a microchannel plate (MCP) / imaging anode system (100% duty cycle). This produces a characteristic detector image from which the critical atmospheric parameters can be retrieved. Major species are separated by their mean kinetic energies according to the spacecraft velocity (e.g., 4.7 eV for O and 8.2 eV for N2). Spatial distributions are fit by maximal-likelihood routines, with centroid positions yielding each component of the neutral wind / ion drift velocity (assuming knowledge of the spacecraft pointing vector), and temperature determined from distribution width. The IDEA deflector consists of resistive glass side plates to propagate a linear potential gradient between copper end plates. The exit plane is a semi-transparent gate with parallel wires, with each wire at a unique voltage according to vertical position and contact point with the resistive glass. This design yields an 'ideal' electrostatic deflector, with no fringing or perturbed fields, in a very compact geometry. Thus, ions follow predictable trajectories, and straightforward data analysis produces highly accurate measurements of the ion velocity distribution function. Two recently proposed instrument suites, the Ion Drifts, Electric Fields, and Temperature (IDEFT) sensor and the Total Thermosphere Sensor (TTS), use orthogonally-oriented IDEA analyzers and a shared imaging detector to characterize the ionosphere and

  10. An online, energy-resolving beam profile detector for laser-driven proton beams.

    PubMed

    Metzkes, J; Zeil, K; Kraft, S D; Karsch, L; Sobiella, M; Rehwald, M; Obst, L; Schlenvoigt, H-P; Schramm, U

    2016-08-01

    In this paper, a scintillator-based online beam profile detector for the characterization of laser-driven proton beams is presented. Using a pixelated matrix with varying absorber thicknesses, the proton beam is spatially resolved in two dimensions and simultaneously energy-resolved. A thin plastic scintillator placed behind the absorber and read out by a CCD camera is used as the active detector material. The spatial detector resolution reaches down to ∼4 mm and the detector can resolve proton beam profiles for up to 9 proton threshold energies. With these detector design parameters, the spatial characteristics of the proton distribution and its cut-off energy can be analyzed online and on-shot under vacuum conditions. The paper discusses the detector design, its characterization and calibration at a conventional proton source, as well as the first detector application at a laser-driven proton source. PMID:27587116

  11. An online, energy-resolving beam profile detector for laser-driven proton beams

    NASA Astrophysics Data System (ADS)

    Metzkes, J.; Zeil, K.; Kraft, S. D.; Karsch, L.; Sobiella, M.; Rehwald, M.; Obst, L.; Schlenvoigt, H.-P.; Schramm, U.

    2016-08-01

    In this paper, a scintillator-based online beam profile detector for the characterization of laser-driven proton beams is presented. Using a pixelated matrix with varying absorber thicknesses, the proton beam is spatially resolved in two dimensions and simultaneously energy-resolved. A thin plastic scintillator placed behind the absorber and read out by a CCD camera is used as the active detector material. The spatial detector resolution reaches down to ˜4 mm and the detector can resolve proton beam profiles for up to 9 proton threshold energies. With these detector design parameters, the spatial characteristics of the proton distribution and its cut-off energy can be analyzed online and on-shot under vacuum conditions. The paper discusses the detector design, its characterization and calibration at a conventional proton source, as well as the first detector application at a laser-driven proton source.

  12. Energy-resolved positron annihilation rates for molecules

    SciTech Connect

    Barnes, L. D.; Young, J. A.; Surko, C. M.

    2006-07-15

    The development of high resolution positron beams has enabled measurements of annihilation rates for molecules as a function of incident positron energy. Vibrational Feshbach resonances in these spectra provide evidence for the existence of positron-molecule bound states. In this paper we present further studies of this phenomenon. Evidence is presented for positronically excited bound states (i.e., in addition to the ground state) in C{sub 12}H{sub 26} and C{sub 14}H{sub 30}. Measurements of the annihilation spectra of the halomethanes, CH{sub 3}F, CH{sub 3}Cl, and CH{sub 3}Br, exhibit strong resonances that vary significantly with the substituted halogen. Annihilation spectra for linear alkanes and ring molecules are compared. Annihilation spectra and infrared absorption spectra are compared for a number of molecules. Finally, annihilation rate measurements are presented for a variety of molecules at energies {>=}0.5 eV (i.e., above the vibrational resonances). These provide a measure of the annihilation rates in the absence of vibrational resonances.

  13. Spectrally resolved white light interferometry to measure material dispersion over a wide spectral band in a single acquisition.

    PubMed

    Arosa, Yago; Lago, Elena López; Varela, Luis Miguel; de la Fuente, Raúl

    2016-07-25

    In this paper we apply spectrally resolved white light interferometry to measure refractive and group index over a wide spectral band from 400 to 1000 nm. The output of a Michelson interferometer is spectrally decomposed by a homemade prism spectrometer with a high resolution camera. The group index is determined directly from the phase extracted from the spectral interferogram while the refractive index is estimated once its value at a given wavelength is known. PMID:27464179

  14. Material separation in x-ray CT with energy resolved photon-counting detectors

    PubMed Central

    Wang, Xiaolan; Meier, Dirk; Taguchi, Katsuyuki; Wagenaar, Douglas J.; Patt, Bradley E.; Frey, Eric C.

    2011-01-01

    Purpose: The objective of the study was to demonstrate that, in x-ray computed tomography (CT), more than two types of materials can be effectively separated with the use of an energy resolved photon-counting detector and classification methodology. Specifically, this applies to the case when contrast agents that contain K-absorption edges in the energy range of interest are present in the object. This separation is enabled via the use of recently developed energy resolved photon-counting detectors with multiple thresholds, which allow simultaneous measurements of the x-ray attenuation at multiple energies. Methods: To demonstrate this capability, we performed simulations and physical experiments using a six-threshold energy resolved photon-counting detector. We imaged mouse-sized cylindrical phantoms filled with several soft-tissue-like and bone-like materials and with iodine-based and gadolinium-based contrast agents. The linear attenuation coefficients were reconstructed for each material in each energy window and were visualized as scatter plots between pairs of energy windows. For comparison, a dual-kVp CT was also simulated using the same phantom materials. In this case, the linear attenuation coefficients at the lower kVp were plotted against those at the higher kVp. Results: In both the simulations and the physical experiments, the contrast agents were easily separable from other soft-tissue-like and bone-like materials, thanks to the availability of the attenuation coefficient measurements at more than two energies provided by the energy resolved photon-counting detector. In the simulations, the amount of separation was observed to be proportional to the concentration of the contrast agents; however, this was not observed in the physical experiments due to limitations of the real detector system. We used the angle between pairs of attenuation coefficient vectors in either the 5-D space (for non-contrast-agent materials using energy resolved photon

  15. Apparatus for time-resolved and energy-resolved measurement of internal conversion electron emission induced by nuclear resonant excitation with synchrotron radiation

    SciTech Connect

    Kawauchi, Taizo; Matsumoto, Masuaki; Fukutani, Katsuyuki; Okano, Tatsuo; Kishimoto, Shunji; Zhang, Xiaowei; Yoda, Yoshitaka

    2007-01-15

    A high-energy and large-object-spot type cylindrical mirror analyzer (CMA) was constructed with the aid of electron trajectory simulations. By adopting a particular shape for the outer cylinder, an energy resolution of 7% was achieved without guide rings as used in conventional CMAs. Combined with an avalanche photodiode as an electron detector, the K-shell internal conversion electrons were successfully measured under irradiation of synchrotron radiation at 14.4 keV in an energy-resolved and time-resolved manner.

  16. Resolving the 180-degree ambiguity in vector magnetic field measurements: The 'minimum' energy solution

    NASA Technical Reports Server (NTRS)

    Metcalf, Thomas R.

    1994-01-01

    I present a robust algorithm that resolves the 180-deg ambiguity in measurements of the solar vector magnetic field. The technique simultaneously minimizes both the divergence of the magnetic field and the electric current density using a simulated annealing algorithm. This results in the field orientation with approximately minimum free energy. The technique is well-founded physically and is simple to implement.

  17. Imaging electronic motions in atoms by energy-resolved ultrafast electron diffraction

    NASA Astrophysics Data System (ADS)

    Shao, Hua-Chieh; Starace, Anthony F.

    2015-05-01

    We present a general analysis of energy-resolved ultrafast electron diffraction for imaging target electronic motion and numerical simulations of time-resolved spectra of ultrafast electrons scattered from the breathing, wiggling, and hybrid modes of electronic motion in the H atom. We consider pump-probe processes in which a laser pulse creates a coherent superposition of target states that are probed by the electron pulses. Varying the pump-probe delay time, the delay-dependent scattering intensities record the ensuing electronic motions. The kinematics of the scattered electrons is fully resolved; both the scattering angles and the kinetic energies are measured. Therefore, besides the spatial and temporal information, the energy content of the electronic motions can be retrieved from the energy-resolved diffraction patterns, which provide unequivocal interpretations of the electronic motions. Because of this, we are able to explain the counterintuitive temporal behavior of the diffraction images, which show a quite different temporal behavior and little connection to the electron densities. This work has been supported in part by AFOSR Award No. FA9550-12-1-0149.

  18. MicroCT with energy-resolved photon-counting detectors

    PubMed Central

    Wang, X; Meier, D; Mikkelsen, S; Maehlum, G E; Wagenaar, D J; Tsui, BMW; Patt, B E; Frey, E C

    2011-01-01

    The goal of this paper was to investigate the benefits that could be realistically achieved on a microCT imaging system with an energy-resolved photon-counting x-ray detector. To this end, we built and evaluated a prototype microCT system based on such a detector. The detector is based on cadmium telluride (CdTe) radiation sensors and application-specific integrated circuit (ASIC) readouts. Each detector pixel can simultaneously count x-ray photons above six energy thresholds, providing the capability for energy-selective x-ray imaging. We tested the spectroscopic performance of the system using polychromatic x-ray radiation and various filtering materials with Kabsorption edges. Tomographic images were then acquired of a cylindrical PMMA phantom containing holes filled with various materials. Results were also compared with those acquired using an intensity-integrating x-ray detector and single-energy (i.e. non-energy-selective) CT. This paper describes the functionality and performance of the system, and presents preliminary spectroscopic and tomographic results. The spectroscopic experiments showed that the energy-resolved photon-counting detector was capable of measuring energy spectra from polychromatic sources like a standard x-ray tube, and resolving absorption edges present in the energy range used for imaging. However, the spectral quality was degraded by spectral distortions resulting from degrading factors, including finite energy resolution and charge sharing. We developed a simple charge-sharing model to reproduce these distortions. The tomographic experiments showed that the availability of multiple energy thresholds in the photon-counting detector allowed us to simultaneously measure target-to-background contrasts in different energy ranges. Compared with single-energy CT with an integrating detector, this feature was especially useful to improve differentiation of materials with different attenuation coefficient energy dependences. PMID:21464527

  19. The role of x-ray Swank factor in energy-resolving photon-counting imaging

    SciTech Connect

    Tanguay, Jesse; Kim, Ho Kyung; Cunningham, Ian. A.

    2010-12-15

    Purpose: Energy-resolved x-ray imaging has the potential to improve contrast-to-noise ratio by measuring the energy of each interacting photon and applying optimal weighting factors. The success of energy-resolving photon-counting (EPC) detectors relies on the ability of an x-ray detector to accurately measure the energy of each interacting photon. However, the escape of characteristic emissions and Compton scatter degrades spectral information. This article makes the theoretical connection between accuracy and imprecision in energy measurements with the x-ray Swank factor for a-Se, Si, CdZnTe, and HgI{sub 2}-based detectors. Methods: For a detector that implements adaptive binning to sum all elements in which x-ray energy is deposited for a single interaction, energy imprecision is shown to depend on the Swank factor for a large element with x rays incident at the center. The response function for each converter material is determined using Monte Carlo methods and used to determine energy accuracy, Swank factor, and relative energy imprecision in photon-energy measurements. Results: For each material, at energies below the respective K edges, accuracy is close to unity and imprecision is only a few percent. Above the K-edge energies, characteristic emission results in a drop in accuracy and precision that depends on escape probability. In Si, and to some extent a-Se, Compton-scatter escape also degrades energy precision with increasing energy. The influence of converter thickness on energy accuracy and imprecision is modest for low-Z materials but becomes important when using high-Z materials at energies greater than the K-edge energies. Conclusions: Accuracy and precision in energy measurements by EPC detectors are determined largely by the energy-dependent x-ray Swank factor. Modest decreases in the Swank factor (5%-15%) result in large increases in relative imprecision (30%-40%).

  20. Vibrationally resolved electron-nuclear energy sharing in above-threshold multiphoton dissociation of CO

    NASA Astrophysics Data System (ADS)

    Sun, Xufei; Li, Min; Shao, Yun; Liu, Ming-Ming; Xie, Xiguo; Deng, Yongkai; Wu, Chengyin; Gong, Qihuang; Liu, Yunquan

    2016-07-01

    We study the photon energy sharing between the photoelectron and the nuclei in the process of above-threshold multiphoton dissociative ionization of CO molecules by measuring the joint energy spectra. The experimental observation shows that the electron-nuclear energy sharing strongly depends on the vibrational state. The experimental observation shows that both the energy deposited to the nuclei of C O+ and the emitted photoelectron decrease with increasing the vibrational level. Through studying the vibrationally resolved nuclear kinetic energy release and photoelectron energy spectra at different laser intensities, for each vibrational level of C O+ , the nuclei always tend to take the same amount of energy in every vibrational level regardless of the laser intensity, while the energy deposited to the photoelectron varies with respect to the laser intensity because of the ponderomotive shifted energy and the distinct dissociative ionization mechanisms.

  1. Energy-resolved study of laser-stimulated Si + desorption from Si(1 0 0)

    NASA Astrophysics Data System (ADS)

    Liu, H. T.; Wu, Z.

    1995-06-01

    An energy-resolved study of Si + desorption from Si(1 0 0) under the irradiation of low fluence 193 nm pulsed laser beam is made using high resolution mass-selected time-of-flight (TOF) technique. New features in the kinetic energy distribution of desorbed Si ions have been observed. A simple DIET model is found to provide a reasonably good understanding for the main features in the TOF spectra.

  2. Energy dispersive X-ray reflectivity characterization of semiconductor heterostructures and interfaces

    SciTech Connect

    Chason, E.; Mayer, T.M.; Krstelj, Z.M.

    1995-07-01

    Energy dispersive X-ray reflectivity is a versatile tool for analyzing thin film structures. Layer thickness, interface roughness and composition can be determined with a single non-destructive measurement. Use of energy dispersive detection enables spectra to be acquired in less than 500 s with a rotating anode X-ray generator, making the study of kinetics possible.

  3. Efficient Calculations of Dispersion Energies for Nanoscale Systems from Coupled Density Response Functions.

    PubMed

    Podeszwa, Rafał; Cencek, Wojciech; Szalewicz, Krzysztof

    2012-06-12

    Dispersion energies computed from coupled Kohn-Sham (CKS) dynamic density-density response functions are known to be highly accurate. At the same time, the computational algorithm is of only modest complexity compared to other accurate methods of dispersion energy calculation. We present a new implementation of this algorithm that removes several computational barriers present in current implementations and enables calculations of dispersion energies for systems with more than 200 atoms using more than 5000 basis functions. The improvements were mainly achieved by reorganizing the algorithm to minimize memory and disk usage. We present applications to two systems: the buckycatcher complex with fullerene and the vancomycin complex with a diacetyl-Lys-d-Ala-d-Ala bacterial wall precursor, both calculations performed with triple-ζ-quality basis sets. Our implementation makes it possible to use ab initio computed dispersion energies in popular "density functional theory plus dispersion" approaches.

  4. Optimal conditions for high-fidelity dispersive readout of a qubit with a photon-number-resolving detector

    NASA Astrophysics Data System (ADS)

    Sokolov, Andrii

    2016-03-01

    We determine the optimal parameters for a simple and efficient scheme of dispersive readout of a qubit. Depending on the qubit state (ground or excited), the resonance of a cavity is shifted either to the red or to the blue side. Qubit state is inferred by detecting the photon number transmitted through the cavity. It turns out that this kind of detection provides better measurement fidelity than the detection of the presence or absence of photons only. We show that radiating the cavity on either of the frequencies it shifts to results in a suboptimal measurement. The optimal frequency of the probe photons is determined, as well as the optimal ratio of the shift to the resonator leakage. It is shown that to maximize the fidelity of a long-lasting measurement, it is sufficient to use the parameters optimizing the signal-to-noise ratio in the photon count. One can reach 99% fidelity for a single-shot measurement in various physical realizations of the scheme.

  5. An edge-on charge-transfer design for energy-resolved x-ray detection.

    PubMed

    Shi, Zaifeng; Yang, Haoyu; Cong, Wenxiang; Wang, Ge

    2016-06-01

    As an x-ray beam goes through the human body, it will collect important information via interaction with tissues. Since this interaction is energy-sensitive, the state-of-the-art spectral CT technologies provide higher quality images of biological tissues with x-ray energy information (or spectral information). With existing energy-integrating technologies, a large fraction of energy information is ignored in the x-ray detection process. Although the recently proposed photon-counting technology promises to achieve higher image quality at a lower radiation dose, it suffers from limitations in counting rate, performance uniformity, and fabrication cost. In this paper, we focus on an alternative approach to resolve the energy distribution of transmitted x-ray photons. First, we analyze the x-ray attenuation in a silicon substrate and describe a linear approximation model for x-ray detection. Then, we design an edge-on architecture based on the proposed energy-resolving model. In our design, the x-ray-photon-induced charges are transferred sequentially resembling the working process of a CCD camera. Finally, we numerically evaluate the linear approximation of x-ray attenuation and derive the energy distribution of x-ray photons. Our simulation results show that the proposed energy-sensing approach is feasible and has the potential to complement the photon-counting technology.

  6. An edge-on charge-transfer design for energy-resolved x-ray detection.

    PubMed

    Shi, Zaifeng; Yang, Haoyu; Cong, Wenxiang; Wang, Ge

    2016-06-01

    As an x-ray beam goes through the human body, it will collect important information via interaction with tissues. Since this interaction is energy-sensitive, the state-of-the-art spectral CT technologies provide higher quality images of biological tissues with x-ray energy information (or spectral information). With existing energy-integrating technologies, a large fraction of energy information is ignored in the x-ray detection process. Although the recently proposed photon-counting technology promises to achieve higher image quality at a lower radiation dose, it suffers from limitations in counting rate, performance uniformity, and fabrication cost. In this paper, we focus on an alternative approach to resolve the energy distribution of transmitted x-ray photons. First, we analyze the x-ray attenuation in a silicon substrate and describe a linear approximation model for x-ray detection. Then, we design an edge-on architecture based on the proposed energy-resolving model. In our design, the x-ray-photon-induced charges are transferred sequentially resembling the working process of a CCD camera. Finally, we numerically evaluate the linear approximation of x-ray attenuation and derive the energy distribution of x-ray photons. Our simulation results show that the proposed energy-sensing approach is feasible and has the potential to complement the photon-counting technology. PMID:27192190

  7. An edge-on charge-transfer design for energy-resolved x-ray detection

    NASA Astrophysics Data System (ADS)

    Shi, Zaifeng; Yang, Haoyu; Cong, Wenxiang; Wang, Ge

    2016-06-01

    As an x-ray beam goes through the human body, it will collect important information via interaction with tissues. Since this interaction is energy-sensitive, the state-of-the-art spectral CT technologies provide higher quality images of biological tissues with x-ray energy information (or spectral information). With existing energy-integrating technologies, a large fraction of energy information is ignored in the x-ray detection process. Although the recently proposed photon-counting technology promises to achieve higher image quality at a lower radiation dose, it suffers from limitations in counting rate, performance uniformity, and fabrication cost. In this paper, we focus on an alternative approach to resolve the energy distribution of transmitted x-ray photons. First, we analyze the x-ray attenuation in a silicon substrate and describe a linear approximation model for x-ray detection. Then, we design an edge-on architecture based on the proposed energy-resolving model. In our design, the x-ray-photon-induced charges are transferred sequentially resembling the working process of a CCD camera. Finally, we numerically evaluate the linear approximation of x-ray attenuation and derive the energy distribution of x-ray photons. Our simulation results show that the proposed energy-sensing approach is feasible and has the potential to complement the photon-counting technology.

  8. Time-resolved energy spectrum measurement of a linear induction accelerator with the magnetic analyzer

    NASA Astrophysics Data System (ADS)

    Wang, Yuan; Jiang, Xiao-Guo; Yang, Guo-Jun; Chen, Si-Fu; Zhang, Zhuo; Wei, Tao; Li, Jin

    2015-01-01

    We recently set up a time-resolved optical beam diagnostic system. Using this system, we measured the high current electron beam energy in the accelerator under construction. This paper introduces the principle of the diagnostic system, describes the setup, and shows the results. A bending beam line was designed using an existing magnetic analyzer with a 300 mm-bending radius and a 60° bending angle at hard-edge approximation. Calculations show that the magnitude of the beam energy is about 18 MeV, and the energy spread is within 2%. Our results agree well with the initial estimates deduced from the diode voltage approach.

  9. Monochromated, spatially resolved electron energy-loss spectroscopic measurements of gold nanoparticles in the plasmon range.

    PubMed

    Schaffer, B; Riegler, K; Kothleitner, G; Grogger, W; Hofer, F

    2009-02-01

    Gold nanoparticles show optical properties different from bulk material due to resonance phenomena which depend on local structure and geometry. Electron energy-loss spectrometry (EELS) in scanning transmission electron microscopy (STEM) allows the spatially resolved measurement of these properties at a resolution of few nanometers. In this work, the first monochromated measurements of gold nanoparticles (spheres, rods and triangles) are presented. Due to the improved energy resolution of about 0.2 eV, surface plasmon excitations at energies below 1 eV could be accurately measured from raw experimental data. PMID:18722779

  10. Dispersion-Energy-Driven Wagner–Meerwein Rearrangements in Oligosilanes

    PubMed Central

    2016-01-01

    The installation of structural complex oligosilanes from linear starting materials by Lewis acid induced skeletal rearrangement reactions was studied under stable ion conditions. The produced cations were fully characterized by multinuclear NMR spectroscopy at low temperature, and the reaction course was studied by substitution experiments. The results of density functional theory calculations indicate the decisive role of attractive dispersion forces between neighboring trimethylsilyl groups for product formation in these rearrangement reactions. These attractive dispersion interactions control the course of Wagner–Meerwein rearrangements in oligosilanes, in contrast to the classical rearrangement in hydrocarbon systems, which are dominated by electronic substituent effects such as resonance and hyperconjugation. PMID:27195490

  11. MAVEN observations of energy-time dispersed electron signatures in Martian crustal magnetic fields

    NASA Astrophysics Data System (ADS)

    Harada, Y.; Mitchell, D. L.; Halekas, J. S.; McFadden, J. P.; Mazelle, C.; Connerney, J. E. P.; Espley, J.; Brain, D. A.; Larson, D. E.; Lillis, R. J.; Hara, T.; Livi, R.; DiBraccio, G. A.; Ruhunusiri, S.; Jakosky, B. M.

    2016-02-01

    Energy-time dispersed electron signatures are observed by the Mars Atmosphere and Volatile EvolutioN (MAVEN) mission in the vicinity of strong Martian crustal magnetic fields. Analysis of pitch angle distributions indicates that these dispersed electrons are typically trapped on closed field lines formed above strong crustal magnetic sources. Most of the dispersed electron signatures are characterized by peak energies decreasing with time rather than increasing peak energies. These properties can be explained by impulsive and local injection of hot electrons into closed field lines and subsequent dispersion by magnetic drift of the trapped electrons. In addition, the dispersed flux enhancements are often bursty and sometimes exhibit clear periodicity, suggesting that the injection and trapping processes are intrinsically time dependent and dynamic. These MAVEN observations demonstrate that common physical processes can operate in both global intrinsic magnetospheres and local crustal magnetic fields.

  12. Focal construct geometry for high intensity energy dispersive x-ray diffraction based on x-ray capillary optics.

    PubMed

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi; Jiang, Bowen; Zhu, Yu

    2016-03-14

    We presented a focal construct geometry (FCG) method for high intensity energy dispersive X-ray diffraction by utilizing a home-made ellipsoidal single-bounce capillary (ESBC) and a polycapillary parallel X-ray lens (PPXRL). The ESBC was employed to focus the X-rays from a conventional laboratory source into a small focal spot and to produce an annular X-ray beam in the far-field. Additionally, diffracted polychromatic X-rays were confocally collected by the PPXRL attached to a stationary energy-resolved detector. Our FCG method based on ESBC and PPXRL had achieved relatively high intensity diffraction peaks and effectively narrowed the diffraction peak width which was helpful in improving the potential d-spacing resolution for material phase analysis.

  13. Rayleigh-wave dispersive energy imaging using a high-resolution linear radon transform

    USGS Publications Warehouse

    Luo, Y.; Xia, J.; Miller, R.D.; Xu, Y.; Liu, J.; Liu, Q.

    2008-01-01

    Multichannel Analysis of Surface Waves (MASW) analysis is an efficient tool to obtain the vertical shear-wave profile. One of the key steps in the MASW method is to generate an image of dispersive energy in the frequency-velocity domain, so dispersion curves can be determined by picking peaks of dispersion energy. In this paper, we propose to image Rayleigh-wave dispersive energy by high-resolution linear Radon transform (LRT). The shot gather is first transformed along the time direction to the frequency domain and then the Rayleigh-wave dispersive energy can be imaged by high-resolution LRT using a weighted preconditioned conjugate gradient algorithm. Synthetic data with a set of linear events are presented to show the process of generating dispersive energy. Results of synthetic and real-world examples demonstrate that, compared with the slant stacking algorithm, high-resolution LRT can improve the resolution of images of dispersion energy by more than 50%. ?? Birkhaueser 2008.

  14. Low energy kink in the band dispersions of Sr2 RuO 4 studied by ARPES

    NASA Astrophysics Data System (ADS)

    Kim, Chul; Kim, Choonghyun; Koh, Y. Y.; Yu, Jaejun; Arita, M.; Shimada, K.; Yoshida, Y.; Kim, C.

    2011-03-01

    In Sr 2 Ru O4 , incommensurate antiferromagnetic fluctuations (IAF) were reported to have 4 - 10 meV energy with {q} = (0.6 π , 0.6 π) while the lowest optical phonon is at 12meV. If an electron is coupled to AIF in Sr 2 Ru O4 , the electronic band dispersions will kink below 10meV. Then, one can attribute the low energy kinks below 10meV to the electron-IAF coupling. In spite of the fact that multiple kink energies were recently reported in Sr 2 Ru O4 , kinks below 10meV has not been observed. To look for the so far unobserved electron-IAF coupling in Sr 2 Ru O4 , we performed ultra high resolution angle resolved photoemission (ARPES) experiments on Sr 2 Ru O4 with clean surfaces. In the results, we observe kinks in the band dispersions at energies below 10 meV which show strong momentum dependence. To elucidate the origin of these new kinks, we compare ARPES results with inelastic neutron scattering and band calculation results.

  15. High-energy anomaly in the angle-resolved photoemission spectra of Nd(2-x)Ce(x)CuO₄: evidence for a matrix element effect.

    PubMed

    Rienks, E D L; Ärrälä, M; Lindroos, M; Roth, F; Tabis, W; Yu, G; Greven, M; Fink, J

    2014-09-26

    We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd(2-x)Ce(x)CuO₄, x=0.123. We find that at particular photon energies the anomalous, waterfall-like dispersion gives way to a broad, continuous band. This suggests that the HEA is a matrix element effect: it arises due to a suppression of the intensity of the broadened quasiparticle band in a narrow momentum range. We confirm this interpretation experimentally, by showing that the HEA appears when the matrix element is suppressed deliberately by changing the light polarization. Calculations of the matrix element using atomic wave functions and simulation of the ARPES intensity with one-step model calculations provide further evidence for this scenario. The possibility to detect the full quasiparticle dispersion further allows us to extract the high-energy self-energy function near the center and at the edge of the Brillouin zone. PMID:25302914

  16. High-Energy Anomaly in the Angle-Resolved Photoemission Spectra of Nd2-xCexCuO4: Evidence for a Matrix Element Effect

    NASA Astrophysics Data System (ADS)

    Rienks, E. D. L.; ńrrälä, M.; Lindroos, M.; Roth, F.; Tabis, W.; Yu, G.; Greven, M.; Fink, J.

    2014-09-01

    We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd2-xCexCuO4, x =0.123. We find that at particular photon energies the anomalous, waterfall-like dispersion gives way to a broad, continuous band. This suggests that the HEA is a matrix element effect: it arises due to a suppression of the intensity of the broadened quasiparticle band in a narrow momentum range. We confirm this interpretation experimentally, by showing that the HEA appears when the matrix element is suppressed deliberately by changing the light polarization. Calculations of the matrix element using atomic wave functions and simulation of the ARPES intensity with one-step model calculations provide further evidence for this scenario. The possibility to detect the full quasiparticle dispersion further allows us to extract the high-energy self-energy function near the center and at the edge of the Brillouin zone.

  17. The Dosepix detector—an energy-resolving photon-counting pixel detector for spectrometric measurements

    NASA Astrophysics Data System (ADS)

    Zang, A.; Anton, G.; Ballabriga, R.; Bisello, F.; Campbell, M.; Celi, J. C.; Fauler, A.; Fiederle, M.; Jensch, M.; Kochanski, N.; Llopart, X.; Michel, N.; Mollenhauer, U.; Ritter, I.; Tennert, F.; Wölfel, S.; Wong, W.; Michel, T.

    2015-04-01

    The Dosepix detector is a hybrid photon-counting pixel detector based on ideas of the Medipix and Timepix detector family. 1 mm thick cadmium telluride and 300 μm thick silicon were used as sensor material. The pixel matrix of the Dosepix consists of 16 x 16 square pixels with 12 rows of (200 μm)2 and 4 rows of (55 μm)2 sensitive area for the silicon sensor layer and 16 rows of pixels with 220 μm pixel pitch for CdTe. Besides digital energy integration and photon-counting mode, a novel concept of energy binning is included in the pixel electronics, allowing energy-resolved measurements in 16 energy bins within one acquisition. The possibilities of this detector concept range from applications in personal dosimetry and energy-resolved imaging to quality assurance of medical X-ray sources by analysis of the emitted photon spectrum. In this contribution the Dosepix detector, its response to X-rays as well as spectrum measurements with Si and CdTe sensor layer are presented. Furthermore, a first evaluation was carried out to use the Dosepix detector as a kVp-meter, that means to determine the applied acceleration voltage from measured X-ray tubes spectra.

  18. Mapping unoccupied electronic states of freestanding graphene by angle-resolved low-energy electron transmission

    NASA Astrophysics Data System (ADS)

    Wicki, Flavio; Longchamp, Jean-Nicolas; Latychevskaia, Tatiana; Escher, Conrad; Fink, Hans-Werner

    2016-08-01

    We report angle-resolved electron transmission measurements through freestanding graphene sheets in the energy range of 18 to 30 eV above the Fermi level. The measurements are carried out in a low-energy electron point source microscope, which allows simultaneously probing the transmission for a large angular range. The characteristics of low-energy electron transmission through graphene depend on its electronic structure above the vacuum level. The experimental technique described here allows mapping of the unoccupied band structure of freestanding two-dimensional materials as a function of the energy and probing angle, respectively, in-plane momentum. Our experimental findings are consistent with theoretical predictions of a resonance in the band structure of graphene above the vacuum level [V. U. Nazarov, E. E. Krasovskii, and V. M. Silkin, Phys. Rev. B 87, 041405 (2013), 10.1103/PhysRevB.87.041405].

  19. Spatially resolved electron energy loss spectroscopy of crescent-shaped plasmonic antennas.

    PubMed

    Křápek, V; Koh, A L; Břínek, L; Hrtoň, M; Tomanec, O; Kalousek, R; Maier, S A; Šikola, T

    2015-05-01

    We present a study of the optical properties of gold crescent-shaped antennas by means of electron energy loss spectroscopy. These structures exhibit particularly large field enhancement near their sharp features, support two non-degenerate dipolar (i.e., optically active) localised surface plasmon resonances, and are widely tunable by a choice of their shape and dimensions. Depending on the volume and shape, we resolved up to four plasmon resonances in metallic structures under study in the energy range of 0.8 - 2.4 eV: two dipolar and quadrupolar mode and a multimodal assembly. The boundary-element-method calculations reproduced the observed spectra and helped to identify the character of the resonances. The two lowest modes are of particular importance owing to their dipolar nature. Remarkably, they are both concentrated near the tips of the crescent, spectrally well resolved and their energies can be tuned between 0.8 - 1.5 eV and 1.2 - 2.0 eV, respectively. As the lower spectral range covers the telecommunication wavelengths 1.30 and 1.55 μm, we envisage the possible use of such nanostructures in infrared communication technology.

  20. Noise suppression for energy-resolved CT using similarity-based non-local filtration

    NASA Astrophysics Data System (ADS)

    Harms, Joe; Wang, Tonghe; Petrongolo, Michael; Zhu, Lei

    2016-03-01

    In energy-resolved CT, images are reconstructed independently at different energy levels, resulting in images with different qualities but the same structures. We propose a similarity-based non-local filtration method to extract structural information from these images for noise suppression. For each pixel, we calculate its similarity to other pixels based on CT number. The calculation is repeated on each image at different energy levels and similarity values are averaged to generate a similarity matrix. Noise suppression is achieved by multiplying the image vector by the similarity matrix. Multiple scans on a tabletop CT system are used to simulate 6-channel energy-resolved CT, with energies ranging from 75 to 125 kVp. Phantom studies show that the proposed method improves average contrast-to-noise ratio (CNR) of seven materials on the 75 kVp image by a factor of 22. Compared with averaging CT images for noise suppression, our method achieves a higher CNR and reduces the CT number error of iodine solutions from 16.5% to 3.5% and the overall image root of mean-square error (RMSE) from 3.58% to 0.93%. On the phantom with line-pair structures, our algorithm reduces noise standard deviation (STD) by a factor of 23 while maintaining 7 lp/cm spatial resolution. Additionally, anthropomorphic head phantom studies show noise STD reduction by a factor or 26 with no loss of spatial resolution. The noise suppression achieved by the similarity-based method is clinically attractive, especially for CNRs of iodine in contrast-enhanced CT.

  1. Investigation of dissimilar metal welds by energy-resolved neutron imaging

    PubMed Central

    Tremsin, Anton S.; Ganguly, Supriyo; Meco, Sonia M.; Pardal, Goncalo R.; Shinohara, Takenao; Feller, W. Bruce

    2016-01-01

    A nondestructive study of the internal structure and compositional gradient of dissimilar metal-alloy welds through energy-resolved neutron imaging is described in this paper. The ability of neutrons to penetrate thick metal objects (up to several cm) provides a unique possibility to examine samples which are opaque to other conventional techniques. The presence of Bragg edges in the measured neutron transmission spectra can be used to characterize the internal residual strain within the samples and some microstructural features, e.g. texture within the grains, while neutron resonance absorption provides the possibility to map the degree of uniformity in mixing of the participating alloys and intermetallic formation within the welds. In addition, voids and other defects can be revealed by the variation of neutron attenuation across the samples. This paper demonstrates the potential of neutron energy-resolved imaging to measure all these characteristics simultaneously in a single experiment with sub-mm spatial resolution. Two dissimilar alloy welds are used in this study: Al autogenously laser welded to steel, and Ti gas metal arc welded (GMAW) to stainless steel using Cu as a filler alloy. The cold metal transfer variant of the GMAW process was used in joining the Ti to the stainless steel in order to minimize the heat input. The distributions of the lattice parameter and texture variation in these welds as well as the presence of voids and defects in the melt region are mapped across the welds. The depth of the thermal front in the Al–steel weld is clearly resolved and could be used to optimize the welding process. A highly textured structure is revealed in the Ti to stainless steel joint where copper was used as a filler wire. The limited diffusion of Ti into the weld region is also verified by the resonance absorption. PMID:27504075

  2. A Protein L -Based Immunodiagnostic Approach Utilizing Time-Resolved Förster Resonance Energy Transfer

    PubMed Central

    Hepojoki, Satu; Nurmi, Visa; Vaheri, Antti; Hedman, Klaus; Vapalahti, Olli; Hepojoki, Jussi

    2014-01-01

    Chelated lanthanides such as europium (Eu) have uniquely long fluorescence emission half-lives permitting their use in time-resolved fluorescence (TRF) assays. In Förster resonance energy transfer (FRET) a donor fluorophore transfers its emission energy to an acceptor fluorophore if in sufficiently close proximity. The use of time-resolved (TR) FRET minimizes the autofluorescence of molecules present in biological samples. In this report, we describe a homogenous immunoassay prototype utilizing TR-FRET for detection of antibodies in solution. The assay is based on labeled protein L, a bacterial protein that binds to immunoglobulin (Ig) light chain, and labeled antigen, which upon association with the same Ig molecule produce a TR-FRET active complex. We show that the approach is functional and can be utilized for both mono- and polyvalent antigens. We also compare the assay performance to that of another homogenous TR-FRET immunoassay reported earlier. This novel assay may have wide utility in infectious disease point-of-care diagnostics. PMID:25181527

  3. Novel energy resolving x-ray pinhole camera on Alcator C-Moda)

    NASA Astrophysics Data System (ADS)

    Pablant, N. A.; Delgado-Aparicio, L.; Bitter, M.; Brandstetter, S.; Eikenberry, E.; Ellis, R.; Hill, K. W.; Hofer, P.; Schneebeli, M.

    2012-10-01

    A new energy resolving x-ray pinhole camera has been recently installed on Alcator C-Mod. This diagnostic is capable of 1D or 2D imaging with a spatial resolution of ≈1 cm, an energy resolution of ≈1 keV in the range of 3.5-15 keV and a maximum time resolution of 5 ms. A novel use of a Pilatus 2 hybrid-pixel x-ray detector [P. Kraft et al., J. Synchrotron Rad. 16, 368 (2009), 10.1107/S0909049509009911] is employed in which the lower energy threshold of individual pixels is adjusted, allowing regions of a single detector to be sensitive to different x-ray energy ranges. Development of this new detector calibration technique was done as a collaboration between PPPL and Dectris Ltd. The calibration procedure is described, and the energy resolution of the detector is characterized. Initial data from this installation on Alcator C-Mod is presented. This diagnostic provides line-integrated measurements of impurity emission which can be used to determine impurity concentrations as well as the electron energy distribution.

  4. Novel energy resolving x-ray pinhole camera on Alcator C-Mod.

    PubMed

    Pablant, N A; Delgado-Aparicio, L; Bitter, M; Brandstetter, S; Eikenberry, E; Ellis, R; Hill, K W; Hofer, P; Schneebeli, M

    2012-10-01

    A new energy resolving x-ray pinhole camera has been recently installed on Alcator C-Mod. This diagnostic is capable of 1D or 2D imaging with a spatial resolution of ≈1 cm, an energy resolution of ≈1 keV in the range of 3.5-15 keV and a maximum time resolution of 5 ms. A novel use of a Pilatus 2 hybrid-pixel x-ray detector [P. Kraft et al., J. Synchrotron Rad. 16, 368 (2009)] is employed in which the lower energy threshold of individual pixels is adjusted, allowing regions of a single detector to be sensitive to different x-ray energy ranges. Development of this new detector calibration technique was done as a collaboration between PPPL and Dectris Ltd. The calibration procedure is described, and the energy resolution of the detector is characterized. Initial data from this installation on Alcator C-Mod is presented. This diagnostic provides line-integrated measurements of impurity emission which can be used to determine impurity concentrations as well as the electron energy distribution.

  5. Novel energy resolving x-ray pinhole camera on Alcator C-Mod

    SciTech Connect

    Pablant, N. A.; Delgado-Aparicio, L.; Bitter, M.; Ellis, R.; Hill, K. W.; Brandstetter, S.; Eikenberry, E.; Hofer, P.; Schneebeli, M.

    2012-10-15

    A new energy resolving x-ray pinhole camera has been recently installed on Alcator C-Mod. This diagnostic is capable of 1D or 2D imaging with a spatial resolution of Almost-Equal-To 1 cm, an energy resolution of Almost-Equal-To 1 keV in the range of 3.5-15 keV and a maximum time resolution of 5 ms. A novel use of a Pilatus 2 hybrid-pixel x-ray detector [P. Kraft et al., J. Synchrotron Rad. 16, 368 (2009)] is employed in which the lower energy threshold of individual pixels is adjusted, allowing regions of a single detector to be sensitive to different x-ray energy ranges. Development of this new detector calibration technique was done as a collaboration between PPPL and Dectris Ltd. The calibration procedure is described, and the energy resolution of the detector is characterized. Initial data from this installation on Alcator C-Mod is presented. This diagnostic provides line-integrated measurements of impurity emission which can be used to determine impurity concentrations as well as the electron energy distribution.

  6. Finessing the fracture energy barrier in ballistic seed dispersal.

    PubMed

    Deegan, Robert D

    2012-04-01

    Fracture is a highly dissipative process in which much of the stored elastic energy is consumed in the creation of new surfaces. Surprisingly, many plants use fracture to launch their seeds despite its seemingly prohibitive energy cost. Here we use Impatiens glandulifera as model case to study the impact of fracture on a plant's throwing capacity. I. glandulifera launches its seeds with speeds up to 4 m/s using cracks to trigger an explosive release of stored elastic energy. We find that the seed pod is optimally designed to minimize the cost of fracture. These characteristics may account for its success at invading Europe and North America. PMID:22431608

  7. The calculation of surface orbital energies for specific types of active sites on dispersed metal catalysts

    SciTech Connect

    Augustine, R.L.; Lahanas, K.M.; Cole, F.

    1992-11-01

    An angular overlap calculation has been used to determine the s, p, and d orbital energy levels of the different types of surface sites present on dispersed metal catalysts. These data can permit a Frontier Molecular Orbital treatment of specific site activities as long as the surface orbital availability for overlap with adsorbed substrates is considered along with its energy value and symmetry.

  8. The calculation of surface orbital energies for specific types of active sites on dispersed metal catalysts

    SciTech Connect

    Augustine, R.L.; Lahanas, K.M.; Cole, F.

    1992-01-01

    An angular overlap calculation has been used to determine the s, p, and d orbital energy levels of the different types of surface sites present on dispersed metal catalysts. These data can permit a Frontier Molecular Orbital treatment of specific site activities as long as the surface orbital availability for overlap with adsorbed substrates is considered along with its energy value and symmetry.

  9. Dynamics of chemical bonding mapped by energy-resolved 4D electron microscopy.

    PubMed

    Carbone, Fabrizio; Kwon, Oh-Hoon; Zewail, Ahmed H

    2009-07-10

    Chemical bonding dynamics are fundamental to the understanding of properties and behavior of materials and molecules. Here, we demonstrate the potential of time-resolved, femtosecond electron energy loss spectroscopy (EELS) for mapping electronic structural changes in the course of nuclear motions. For graphite, it is found that changes of milli-electron volts in the energy range of up to 50 electron volts reveal the compression and expansion of layers on the subpicometer scale (for surface and bulk atoms). These nonequilibrium structural features are correlated with the direction of change from sp2 [two-dimensional (2D) graphene] to sp3 (3D-diamond) electronic hybridization, and the results are compared with theoretical charge-density calculations. The reported femtosecond time resolution of four-dimensional (4D) electron microscopy represents an advance of 10 orders of magnitude over that of conventional EELS methods. PMID:19589997

  10. Deterministic and stochastic algorithms for resolving the flow fields in ducts and networks using energy minimization

    NASA Astrophysics Data System (ADS)

    Sochi, Taha

    2016-09-01

    Several deterministic and stochastic multi-variable global optimization algorithms (Conjugate Gradient, Nelder-Mead, Quasi-Newton and global) are investigated in conjunction with energy minimization principle to resolve the pressure and volumetric flow rate fields in single ducts and networks of interconnected ducts. The algorithms are tested with seven types of fluid: Newtonian, power law, Bingham, Herschel-Bulkley, Ellis, Ree-Eyring and Casson. The results obtained from all those algorithms for all these types of fluid agree very well with the analytically derived solutions as obtained from the traditional methods which are based on the conservation principles and fluid constitutive relations. The results confirm and generalize the findings of our previous investigations that the energy minimization principle is at the heart of the flow dynamics systems. The investigation also enriches the methods of computational fluid dynamics for solving the flow fields in tubes and networks for various types of Newtonian and non-Newtonian fluids.

  11. On an energy-latitude dispersion pattern of ion precipitation potentially associated with magnetospheric EMIC waves

    NASA Astrophysics Data System (ADS)

    Liang, Jun; Donovan, E.; Ni, B.; Yue, C.; Jiang, F.; Angelopoulos, V.

    2014-10-01

    Ion precipitation mechanisms are usually energy dependent and contingent upon magnetospheric/ionospheric locations. Therefore, the pattern of energy-latitude dependence of ion precipitation boundaries seen by low Earth orbit satellites can be implicative of the mechanism(s) underlying the precipitation. The pitch angle scattering of ions led by the field line curvature, a well-recognized mechanism of ion precipitation in the central plasma sheet (CPS), leads to one common pattern of energy-latitude dispersion, in that the ion precipitation flux diminishes at higher (lower) latitudes for protons with lower (higher) energies. In this study, we introduce one other systematically existing pattern of energy-latitude dispersion of ion precipitation, in that the lower energy ion precipitation extends to lower latitude than the higher-energy ion precipitation. Via investigating such a "reversed" energy-latitude dispersion pattern, we explore possible mechanisms of ion precipitation other than the field line curvature scattering. We demonstrate via theories and simulations that the H-band electromagnetic ion cyclotron (EMIC) wave is capable of preferentially scattering keV protons in the CPS and potentially leads to the reversed energy-latitude dispersion of proton precipitation. We then present detailed event analyses and provide support to a linkage between the EMIC waves in the equatorial CPS and ion precipitation events with reversed energy-latitude dispersion. We also discuss the role of ion acceleration in the topside ionosphere which, together with the CPS ion population, may result in a variety of energy-latitude distributions of the overall ion precipitation.

  12. Energy- and time-resolved detection of prompt gamma-rays for proton range verification

    NASA Astrophysics Data System (ADS)

    Verburg, Joost M.; Riley, Kent; Bortfeld, Thomas; Seco, Joao

    2013-10-01

    In this work, we present experimental results of a novel prompt gamma-ray detector for proton beam range verification. The detection system features an actively shielded cerium-doped lanthanum(III) bromide scintillator, coupled to a digital data acquisition system. The acquisition was synchronized to the cyclotron radio frequency to separate the prompt gamma-ray signals from the later-arriving neutron-induced background. We designed the detector to provide a high energy resolution and an effective reduction of background events, enabling discrete proton-induced prompt gamma lines to be resolved. Measuring discrete prompt gamma lines has several benefits for range verification. As the discrete energies correspond to specific nuclear transitions, the magnitudes of the different gamma lines have unique correlations with the proton energy and can be directly related to nuclear reaction cross sections. The quantification of discrete gamma lines also enables elemental analysis of tissue in the beam path, providing a better prediction of prompt gamma-ray yields. We present the results of experiments in which a water phantom was irradiated with proton pencil-beams in a clinical proton therapy gantry. A slit collimator was used to collimate the prompt gamma-rays, and measurements were performed at 27 positions along the path of proton beams with ranges of 9, 16 and 23 g cm-2 in water. The magnitudes of discrete gamma lines at 4.44, 5.2 and 6.13 MeV were quantified. The prompt gamma lines were found to be clearly resolved in dimensions of energy and time, and had a reproducible correlation with the proton depth-dose curve. We conclude that the measurement of discrete prompt gamma-rays for in vivo range verification of clinical proton beams is feasible, and plan to further study methods and detector designs for clinical use.

  13. Energy- and time-resolved detection of prompt gamma-rays for proton range verification.

    PubMed

    Verburg, Joost M; Riley, Kent; Bortfeld, Thomas; Seco, Joao

    2013-10-21

    In this work, we present experimental results of a novel prompt gamma-ray detector for proton beam range verification. The detection system features an actively shielded cerium-doped lanthanum(III) bromide scintillator, coupled to a digital data acquisition system. The acquisition was synchronized to the cyclotron radio frequency to separate the prompt gamma-ray signals from the later-arriving neutron-induced background. We designed the detector to provide a high energy resolution and an effective reduction of background events, enabling discrete proton-induced prompt gamma lines to be resolved. Measuring discrete prompt gamma lines has several benefits for range verification. As the discrete energies correspond to specific nuclear transitions, the magnitudes of the different gamma lines have unique correlations with the proton energy and can be directly related to nuclear reaction cross sections. The quantification of discrete gamma lines also enables elemental analysis of tissue in the beam path, providing a better prediction of prompt gamma-ray yields. We present the results of experiments in which a water phantom was irradiated with proton pencil-beams in a clinical proton therapy gantry. A slit collimator was used to collimate the prompt gamma-rays, and measurements were performed at 27 positions along the path of proton beams with ranges of 9, 16 and 23 g cm(-2) in water. The magnitudes of discrete gamma lines at 4.44, 5.2 and 6.13 MeV were quantified. The prompt gamma lines were found to be clearly resolved in dimensions of energy and time, and had a reproducible correlation with the proton depth-dose curve. We conclude that the measurement of discrete prompt gamma-rays for in vivo range verification of clinical proton beams is feasible, and plan to further study methods and detector designs for clinical use.

  14. The effect of dispersion forces on the interaction energies and far infrared spectra of protic ionic liquids.

    PubMed

    Ludwig, Ralf

    2015-06-01

    We could show by means of dispersion-corrected DFT calculations that the interaction energy in protic ionic liquids can be dissected into Coulomb interaction, hydrogen bonding and dispersion interaction. The H-bond energy as well as the dispersion energy can be quantified to be 50 kJ mol(-1) each representing ten percent of the overall interaction energy. The dispersion interaction could be dissected into two portions. One third could be related to the dispersion interaction within an ion-pair enhancing the H-bond strength, two thirds stem from dispersion interaction between the ion-pairs. This distribution of dispersion interaction is reflected in the far infrared (FIR) spectra. The H-bond band is shifted weaker than the low frequency band where the latter indicates diffuse cation-anion interaction and H-bond bending motions. Finally, we can dissect the different types of interaction energies indicating their characteristic influence on vibrational modes in the FIR.

  15. Non-pairwise additivity of the leading-order dispersion energy

    SciTech Connect

    Hollett, Joshua W.

    2015-02-28

    The leading-order (i.e., dipole-dipole) dispersion energy is calculated for one-dimensional (1D) and two-dimensional (2D) infinite lattices, and an infinite 1D array of infinitely long lines, of doubly occupied locally harmonic wells. The dispersion energy is decomposed into pairwise and non-pairwise additive components. By varying the force constant and separation of the wells, the non-pairwise additive contribution to the dispersion energy is shown to depend on the overlap of density between neighboring wells. As well separation is increased, the non-pairwise additivity of the dispersion energy decays. The different rates of decay for 1D and 2D lattices of wells is explained in terms of a Jacobian effect that influences the number of nearest neighbors. For an array of infinitely long lines of wells spaced 5 bohrs apart, and an inter-well spacing of 3 bohrs within a line, the non-pairwise additive component of the leading-order dispersion energy is −0.11 kJ mol{sup −1} well{sup −1}, which is 7% of the total. The polarizability of the wells and the density overlap between them are small in comparison to that of the atomic densities that arise from the molecular density partitioning used in post-density-functional theory (DFT) damped dispersion corrections, or DFT-D methods. Therefore, the nonadditivity of the leading-order dispersion observed here is a conservative estimate of that in molecular clusters.

  16. Quantitative material decomposition using spectral computed tomography with an energy-resolved photon-counting detector.

    PubMed

    Lee, Seungwan; Choi, Yu-Na; Kim, Hee-Joung

    2014-09-21

    Dual-energy computed tomography (CT) techniques have been used to decompose materials and characterize tissues according to their physical and chemical compositions. However, these techniques are hampered by the limitations of conventional x-ray detectors operated in charge integrating mode. Energy-resolved photon-counting detectors provide spectral information from polychromatic x-rays using multiple energy thresholds. These detectors allow simultaneous acquisition of data in different energy ranges without spectral overlap, resulting in more efficient material decomposition and quantification for dual-energy CT. In this study, a pre-reconstruction dual-energy CT technique based on volume conservation was proposed for three-material decomposition. The technique was combined with iterative reconstruction algorithms by using a ray-driven projector in order to improve the quality of decomposition images and reduce radiation dose. A spectral CT system equipped with a CZT-based photon-counting detector was used to implement the proposed dual-energy CT technique. We obtained dual-energy images of calibration and three-material phantoms consisting of low atomic number materials from the optimal energy bins determined by Monte Carlo simulations. The material decomposition process was accomplished by both the proposed and post-reconstruction dual-energy CT techniques. Linear regression and normalized root-mean-square error (NRMSE) analyses were performed to evaluate the quantitative accuracy of decomposition images. The calibration accuracy of the proposed dual-energy CT technique was higher than that of the post-reconstruction dual-energy CT technique, with fitted slopes of 0.97-1.01 and NRMSEs of 0.20-4.50% for all basis materials. In the three-material phantom study, the proposed dual-energy CT technique decreased the NRMSEs of measured volume fractions by factors of 0.17-0.28 compared to the post-reconstruction dual-energy CT technique. It was concluded that the

  17. Evaluating Chemical Dispersant Efficacy In An Experimental Wave Tank: 1, Dispersant Effectiveness As A Function Of Energy Dissipation Rate

    EPA Science Inventory

    Numerous laboratory test systems have been developed for the comparison of efficacy between various chemical oil dispersant formulations. However, for the assessment of chemical dispersant effectiveness under realistic sea state, test protocols are required to produce hydrodynam...

  18. Toward Femtosecond Time-Resolved Studies of Solvent-Solute Energy Transfer in Doped Helium Nanodroplets

    NASA Astrophysics Data System (ADS)

    Bacellar, C.; Ziemkiewicz, M. P.; Leone, S. R.; Neumark, D. M.; Gessner, O.

    2015-05-01

    Superfluid helium nanodroplets provide a unique cryogenic matrix for high resolution spectroscopy and ultracold chemistry applications. With increasing photon energy and, in particular, in the increasingly important Extreme Ultraviolet (EUV) regime, the droplets become optically dense and, therefore, participate in the EUV-induced dynamics. Energy- and charge-transfer mechanisms between the host droplets and dopant atoms, however, are poorly understood. Static energy domain measurements of helium droplets doped with noble gas atoms (Xe, Kr) indicate that Penning ionization due to energy transfer from the excited droplet to dopant atoms may be a significant relaxation channel. We have set up a femtosecond time-resolved photoelectron imaging experiment to probe these dynamics directly in the time-domain. Droplets containing 104 to 106 helium atoms and a small percentage (<10-4) of dopant atoms (Xe, Kr, Ne) are excited to the 1s2p Rydberg band by 21.6 eV photons produced by high harmonic generation (HHG). Transiently populated states are probed by 1.6 eV photons, generating time-dependent photoelectron kinetic energy distributions, which are monitored by velocity map imaging (VMI). The results will provide new information about the dynamic timescales and the different relaxation channels, giving access to a more complete physical picture of solvent-solute interactions in the superfluid environment. Prospects and challenges of the novel experiment as well as preliminary experimental results will be discussed.

  19. X-ray photoemission and energy dispersive spectroscopy of hydroxyapatite-coated titanium

    SciTech Connect

    Drummond, J.L.; Steinberg, A.D.; Krauss, A.R.

    1997-07-01

    The purpose of this study was to determine the chemical composition changes of hydroxyapatite (HA) coated titanium using surface analysis (X-ray photoemission) and bulk analysis (energy dispersive spectroscopy). The specimens examined were controls and specimens aged 30 min and 3 h at room temperature in distilled water and 0.2M sodium phosphate buffer (pH 7.2). Each X-ray photoemission cycle consisted of three scans followed by argon sputtering for 10 min for usually 20 cycles, corresponding to a sampling depth of {approximately}1,500 {angstrom}. The energy dispersive spectroscopy analysis was on a 110 by 90 {micro}m area for 500 s. The X-ray photoemission results indicated the oxidation effect of water on the titanium (as TiO{sub 2}) and the effect of the buffer to increase the surface concentration of phosphorus. No differences in the chemical composition were observed by energy dispersive spectroscopy analysis.

  20. The impact of covariance information on criticality safety calculations in the resolved resonance energy range.

    SciTech Connect

    Naberejnev, D. G.; Palmiotti, G.; Yang, W. S.

    2004-06-11

    Resonance data play a significant role in the calculations of systems considered for criticality safety applications. K{sub eff}, the major parameter of interest in such a type of calculations, can be heavily dependent both on the quality of the resonance data as well as on the accuracy achieved in the processing of these data. If reasonable uncertainty values are available, in conjunction with their correlation in energy and among type of resonance parameters, one can exploit existing methodologies, based on perturbation theory, in order to evaluate their impact on the integral parameter of interest, i.e., K{sub eff} in our case, in practical applications. In this way, one could be able to judge if the uncertainty on specific quantities, e.g., covariances on resonance data, have a significant impact and, therefore, deserve a careful evaluation. This report, first, will recall the basic principles that lie behind an uncertainty evaluation and review the current situation in the field of covariance data. Then an attempt is made for defining a methodology that allows calculating covariances values for resolved resonance parameters. Finally, practical applications, of interest for criticality safety calculations, illustrate the impact of different assumptions on correlations among resolved resonance parameters.

  1. Two and three-body interatomic dispersion energy contributions to binding in molecules and solids.

    SciTech Connect

    von Lilienfeld-Toal, Otto Anatole; Tkatchenko, Alexandre

    2010-03-01

    We present numerical estimates of the leading two- and three-body dispersion energy terms in van der Waals interactions for a broad variety of molecules and solids. The calculations are based on London and Axilrod-Teller-Muto expressions where the required interatomic dispersion energy coefficients, C{sub 6} and C{sub 9}, are computed 'on the fly' from the electron density. Inter- and intramolecular energy contributions are obtained using the Tang-Toennies (TT) damping function for short interatomic distances. The TT range parameters are equally extracted on the fly from the electron density using their linear relationship to van der Waals radii. This relationship is empiricially determined for all the combinations of He-Xe rare gas dimers, as well as for the He and Ar trimers. The investigated systems include the S22 database of noncovalent interactions, Ar, benzene and ice crystals, bilayer graphene, C{sub 60} dimer, a peptide (Ala{sub 10}), an intercalated drug-DNA model [ellipticine-d(CG){sub 2}], 42 DNA base pairs, a protein (DHFR, 2616 atoms), double stranded DNA (1905 atoms), and 12 molecular crystal polymorphs from crystal structure prediction blind test studies. The two- and three-body interatomic dispersion energies are found to contribute significantly to binding and cohesive energies, for bilayer graphene the latter reaches 50% of experimentally derived binding energy. These results suggest that interatomic three-body dispersion potentials should be accounted for in atomistic simulations when modeling bulky molecules or condensed phase systems.

  2. Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids

    NASA Astrophysics Data System (ADS)

    Anatole von Lilienfeld, O.; Tkatchenko, Alexandre

    2010-06-01

    We present numerical estimates of the leading two- and three-body dispersion energy terms in van der Waals interactions for a broad variety of molecules and solids. The calculations are based on London and Axilrod-Teller-Muto expressions where the required interatomic dispersion energy coefficients, C6 and C9, are computed "on the fly" from the electron density. Inter- and intramolecular energy contributions are obtained using the Tang-Toennies (TT) damping function for short interatomic distances. The TT range parameters are equally extracted on the fly from the electron density using their linear relationship to van der Waals radii. This relationship is empiricially determined for all the combinations of He-Xe rare gas dimers, as well as for the He and Ar trimers. The investigated systems include the S22 database of noncovalent interactions, Ar, benzene and ice crystals, bilayer graphene, C60 dimer, a peptide (Ala10), an intercalated drug-DNA model [ellipticine-d(CG)2], 42 DNA base pairs, a protein (DHFR, 2616 atoms), double stranded DNA (1905 atoms), and 12 molecular crystal polymorphs from crystal structure prediction blind test studies. The two- and three-body interatomic dispersion energies are found to contribute significantly to binding and cohesive energies, for bilayer graphene the latter reaches 50% of experimentally derived binding energy. These results suggest that interatomic three-body dispersion potentials should be accounted for in atomistic simulations when modeling bulky molecules or condensed phase systems.

  3. Constraining the Energy-Momentum Dispersion Relation with Planck-Scale Sensitivity Using Cold Atoms

    SciTech Connect

    Amelino-Camelia, Giovanni; Mercati, Flavio; Laemmerzahl, Claus; Tino, Guglielmo M.

    2009-10-23

    We use the results of ultraprecise cold-atom-recoil experiments to constrain the form of the energy-momentum dispersion relation, a structure that is expected to be modified in several quantum-gravity approaches. Our strategy of analysis applies to the nonrelativistic (small speeds) limit of the dispersion relation, and is therefore complementary to an analogous ongoing effort of investigation of the dispersion relation in the ultrarelativistic regime using observations in astrophysics. For the leading correction in the nonrelativistic limit the exceptional sensitivity of cold-atom-recoil experiments remarkably allows us to set a limit within a single order of magnitude of the desired Planck-scale level, thereby providing the first example of Planck-scale sensitivity in the study of the dispersion relation in controlled laboratory experiments.

  4. Time-resolved energy dynamics after single electron injection into an interacting helical liquid

    NASA Astrophysics Data System (ADS)

    Calzona, Alessio; Acciai, Matteo; Carrega, Matteo; Cavaliere, Fabio; Sassetti, Maura

    2016-07-01

    The possibility of injecting a single electron into ballistic conductors is at the basis of the new field of electron quantum optics. Here, we consider a single electron injection into the helical edge channels of a topological insulator. Their counterpropagating nature and the unavoidable presence of electron-electron interactions dramatically affect the time evolution of the single wave packet. Modeling the injection process from a mesoscopic capacitor in the presence of nonlocal tunneling, we focus on the time-resolved charge and energy packet dynamics. Both quantities split up into counterpropagating contributions whose profiles are strongly affected by the interaction strength. In addition, stronger signatures are found for the injected energy, which is also affected by the finite width of the tunneling region, in contrast to what happens for the charge. Indeed, the energy flow can be controlled by tuning the injection parameters, and we demonstrate that, in the presence of nonlocal tunneling, it is possible to achieve a situation in which charge and energy flow in opposite directions.

  5. Energy resolved electrochemical impedance spectroscopy for electronic structure mapping in organic semiconductors

    NASA Astrophysics Data System (ADS)

    Nádaždy, V.; Schauer, F.; Gmucová, K.

    2014-10-01

    We introduce an energy resolved electrochemical impedance spectroscopy method to map the electronic density of states (DOS) in organic semiconductor materials. The method consists in measurement of the charge transfer resistance of a semiconductor/electrolyte interface at a frequency where the redox reactions determine the real component of the impedance. The charge transfer resistance value provides direct information about the electronic DOS at the energy given by the electrochemical potential of the electrolyte, which can be adjusted using an external voltage. A simple theory for experimental data evaluation is proposed, along with an explanation of the corresponding experimental conditions. The method allows mapping over unprecedentedly wide energy and DOS ranges. Also, important DOS parameters can be determined directly from the raw experimental data without the lengthy analysis required in other techniques. The potential of the proposed method is illustrated by tracing weak bond defect states induced by ultraviolet treatment above the highest occupied molecular orbital in a prototypical σ-conjugated polymer, poly[methyl(phenyl)silylene]. The results agree well with those of our previous DOS reconstruction by post-transient space-charge-limited-current spectroscopy, which was, however, limited to a narrow energy range. In addition, good agreement of the DOS values measured on two common π-conjugated organic polymer semiconductors, polyphenylene vinylene and poly(3-hexylthiophene), with the rather rare previously published data demonstrate the accuracy of the proposed method.

  6. Energy resolved electrochemical impedance spectroscopy for electronic structure mapping in organic semiconductors

    SciTech Connect

    Nádaždy, V. Gmucová, K.; Schauer, F.

    2014-10-06

    We introduce an energy resolved electrochemical impedance spectroscopy method to map the electronic density of states (DOS) in organic semiconductor materials. The method consists in measurement of the charge transfer resistance of a semiconductor/electrolyte interface at a frequency where the redox reactions determine the real component of the impedance. The charge transfer resistance value provides direct information about the electronic DOS at the energy given by the electrochemical potential of the electrolyte, which can be adjusted using an external voltage. A simple theory for experimental data evaluation is proposed, along with an explanation of the corresponding experimental conditions. The method allows mapping over unprecedentedly wide energy and DOS ranges. Also, important DOS parameters can be determined directly from the raw experimental data without the lengthy analysis required in other techniques. The potential of the proposed method is illustrated by tracing weak bond defect states induced by ultraviolet treatment above the highest occupied molecular orbital in a prototypical σ-conjugated polymer, poly[methyl(phenyl)silylene]. The results agree well with those of our previous DOS reconstruction by post-transient space-charge-limited-current spectroscopy, which was, however, limited to a narrow energy range. In addition, good agreement of the DOS values measured on two common π-conjugated organic polymer semiconductors, polyphenylene vinylene and poly(3-hexylthiophene), with the rather rare previously published data demonstrate the accuracy of the proposed method.

  7. Energy resolved two-dimensional soft x-ray radiography with a micropattern gas detector

    SciTech Connect

    Pacella, Danilo; Bellazzini, Ronaldo; Finkenthal, Michael

    2006-04-15

    This article discusses the use of energy resolved two-dimensional soft x-ray imaging (ERXI), in the range of 2-8 keV, to study and investigate composition and depth of different materials. This technique represents a new approach in which imaging is merged with multienergy analysis, performed with spectral scans in 25 energy subintervals. The detector used is a micropattern gas detector with gas electron multiplier as amplifying structure, pixel readout board with 144 pixels (12x12), and electronics for photon counting for each pixel. As the detector works in a proportional regime, images in adjustable energy windows (independently for each pixel) can be acquired. Energy resolution enhances the contrast and the imaging capability providing more information of the transparencies of the materials under investigations. Contact radiographies have been made with samples of four different materials: CaCl, organic fat matter, aluminum, and thin plastic tape. The resulting data transparency curves for these materials have been derived. These curves demonstrate the value of ERXI at high performances (high efficiency, high dynamics, and high contrast), potentially relevant for many future applications.

  8. Energy transfer in Anabaena variabilis filaments under nitrogen depletion, studied by time-resolved fluorescence.

    PubMed

    Onishi, Aya; Aikawa, Shimpei; Kondo, Akihiko; Akimoto, Seiji

    2015-08-01

    Some filamentous cyanobacteria (including Anabaena) differentiate into heterocysts under nitrogen-depleted conditions. During differentiation, the phycobiliproteins and photosystem II in the heterocysts are gradually degraded. Nitrogen depletion induces changes in the pigment composition of both vegetative cells and heterocysts, which affect the excitation energy transfer processes. To investigate the changes in excitation energy transfer processes of Anabaena variabilis filaments grown in standard medium (BG11) and a nitrogen-free medium (BG110), we measured their steady-state absorption spectra, steady-state fluorescence spectra, and time-resolved fluorescence spectra (TRFS) at 77 K. TRFS were measured with a picosecond time-correlated single photon counting system. The pigment compositions of the filaments grown in BG110 changed throughout the growth period; the relative phycocyanin levels monotonically decreased, whereas the relative carotenoid (Car) levels decreased and then recovered to their initial value (at day 0), with formation of lower-energy Cars. Nitrogen starvation also altered the fluorescence kinetics of PSI; the fluorescence maximum of TRFS immediately after excitation occurred at 735, 740, and 730 nm after 4, 8, and 15 days growth in BG110, respectively. Based on these results, we discuss the excitation energy transfer dynamics of A. variabilis filaments under the nitrogen-depleted condition throughout the growth period. PMID:25596847

  9. Concepts for design of an energy management system incorporating dispersed storage and generation

    NASA Astrophysics Data System (ADS)

    Kirkham, H.; Koerner, T.; Nightingale, D.

    1981-04-01

    New forms of generation based on renewable resources must be managed as part of existing power systems in order to be utilized with maximum effectiveness. Many of these generators are by their very nature dispersed or small, so that they will be connected to the distribution part of the power system. This situation poses new questions of control and protection, and the intermittent nature of some of the energy sources poses problems of scheduling and dispatch. Under the assumption that the general objectives of energy management will remain unchanged, the impact of dispersed storage and generation on some of the specific functions of power system control and its hardware are discussed.

  10. Concepts for design of an energy management system incorporating dispersed storage and generation

    NASA Technical Reports Server (NTRS)

    Kirkham, H.; Koerner, T.; Nightingale, D.

    1981-01-01

    New forms of generation based on renewable resources must be managed as part of existing power systems in order to be utilized with maximum effectiveness. Many of these generators are by their very nature dispersed or small, so that they will be connected to the distribution part of the power system. This situation poses new questions of control and protection, and the intermittent nature of some of the energy sources poses problems of scheduling and dispatch. Under the assumption that the general objectives of energy management will remain unchanged, the impact of dispersed storage and generation on some of the specific functions of power system control and its hardware are discussed.

  11. Energy dispersive CdTe and CdZnTe detectors for spectral clinical CT and NDT applications

    NASA Astrophysics Data System (ADS)

    Barber, W. C.; Wessel, J. C.; Nygard, E.; Iwanczyk, J. S.

    2015-06-01

    We are developing room temperature compound semiconductor detectors for applications in energy-resolved high-flux single x-ray photon-counting spectral computed tomography (CT), including functional imaging with nanoparticle contrast agents for medical applications and non-destructive testing (NDT) for security applications. Energy-resolved photon-counting can provide reduced patient dose through optimal energy weighting for a particular imaging task in CT, functional contrast enhancement through spectroscopic imaging of metal nanoparticles in CT, and compositional analysis through multiple basis function material decomposition in CT and NDT. These applications produce high input count rates from an x-ray generator delivered to the detector. Therefore, in order to achieve energy-resolved single photon counting in these applications, a high output count rate (OCR) for an energy-dispersive detector must be achieved at the required spatial resolution and across the required dynamic range for the application. The required performance in terms of the OCR, spatial resolution, and dynamic range must be obtained with sufficient field of view (FOV) for the application thus requiring the tiling of pixel arrays and scanning techniques. Room temperature cadmium telluride (CdTe) and cadmium zinc telluride (CdZnTe) compound semiconductors, operating as direct conversion x-ray sensors, can provide the required speed when connected to application specific integrated circuits (ASICs) operating at fast peaking times with multiple fixed thresholds per pixel provided the sensors are designed for rapid signal formation across the x-ray energy ranges of the application at the required energy and spatial resolutions, and at a sufficiently high detective quantum efficiency (DQE). We have developed high-flux energy-resolved photon-counting x-ray imaging array sensors using pixellated CdTe and CdZnTe semiconductors optimized for clinical CT and security NDT. We have also fabricated high

  12. Energy dispersive CdTe and CdZnTe detectors for spectral clinical CT and NDT applications

    PubMed Central

    Barber, W. C.; Wessel, J. C.; Nygard, E.; Iwanczyk, J. S.

    2014-01-01

    We are developing room temperature compound semiconductor detectors for applications in energy-resolved high-flux single x-ray photon-counting spectral computed tomography (CT), including functional imaging with nanoparticle contrast agents for medical applications and non destructive testing (NDT) for security applications. Energy-resolved photon-counting can provide reduced patient dose through optimal energy weighting for a particular imaging task in CT, functional contrast enhancement through spectroscopic imaging of metal nanoparticles in CT, and compositional analysis through multiple basis function material decomposition in CT and NDT. These applications produce high input count rates from an x-ray generator delivered to the detector. Therefore, in order to achieve energy-resolved single photon counting in these applications, a high output count rate (OCR) for an energy-dispersive detector must be achieved at the required spatial resolution and across the required dynamic range for the application. The required performance in terms of the OCR, spatial resolution, and dynamic range must be obtained with sufficient field of view (FOV) for the application thus requiring the tiling of pixel arrays and scanning techniques. Room temperature cadmium telluride (CdTe) and cadmium zinc telluride (CdZnTe) compound semiconductors, operating as direct conversion x-ray sensors, can provide the required speed when connected to application specific integrated circuits (ASICs) operating at fast peaking times with multiple fixed thresholds per pixel provided the sensors are designed for rapid signal formation across the x-ray energy ranges of the application at the required energy and spatial resolutions, and at a sufficiently high detective quantum efficiency (DQE). We have developed high-flux energy-resolved photon-counting x-ray imaging array sensors using pixellated CdTe and CdZnTe semiconductors optimized for clinical CT and security NDT. We have also fabricated high

  13. Energy calibration of energy-resolved photon-counting pixel detectors using laboratory polychromatic x-ray beams

    NASA Astrophysics Data System (ADS)

    Youn, Hanbean; Han, Jong Chul; Kam, Soohwa; Yun, Seungman; Kim, Ho Kyung

    2014-10-01

    Recently, photon-counting detectors capable of resolving incident x-ray photon energies have been considered for use in spectral x-ray imaging applications. For reliable use of energy-resolved photon-counting detectors (ERPCDs), energy calibration is an essential procedure prior to their use because variations in responses from each pixel of the ERPCD for incident photons, even at the same energy, are inevitable. Energy calibration can be performed using a variety of methods. In all of these methods, the photon spectra with well-defined peak energies are recorded. Every pixel should be calibrated on its own. In this study, we suggest the use of a conventional polychromatic x-ray source (that is typically used in laboratories) for energy calibration. The energy calibration procedure mainly includes the determination of the peak energies in the spectra, flood-field irradiation, determination of peak channels, and determination of calibration curves (i.e., the slopes and intercepts of linear polynomials). We applied a calibration algorithm to a CdTe ERPCD comprised of 128×128 pixels with a pitch of 0.35 mm using highly attenuated polychromatic x-ray beams to reduce the pulse pile-up effect, and to obtain a narrow-shaped spectrum due to beam hardening. The averaged relative error in calibration curves obtained from 16,384 pixels was about 0.56% for 59.6 keV photons from an Americium radioisotope. This pixel-by-pixel energy calibration enhanced the signal- and contrast-to-noise ratios in images, respectively, by a factor of ~5 and 3 due to improvement in image homogeneity, compared to those obtained without energy calibration. One secondary finding of this study was that the x-ray photon spectra obtained using a common algorithm for computing x-ray spectra reasonably described the peaks in the measured spectra, which implies easier peak detection without the direct measurement of spectra using a separate spectrometer. The proposed method will be a useful alternative to

  14. Time-resolved luminescence resonance energy transfer imaging of protein-protein interactions in living cells.

    PubMed

    Rajapakse, Harsha E; Miller, Lawrence W

    2012-01-01

    Lanthanide-based or luminescence resonance energy transfer (LRET) microscopy can be used to sensitively image interactions between reporter-labeled proteins in living mammalian cells. With LRET, luminescent lanthanide complexes are used as donors, conventional fluorophores are used as acceptors, and donor-sensitized acceptor emission occurs at time scales that reflect the long (~ms) lanthanide emission lifetime. These long-lived signals can be separated from short-lifetime (~ns) sample autofluorescence and directly excited acceptor fluorescence by using pulsed light to excite the specimen and by implementing a short delay (>100 ns) before detection, thereby increasing measurement sensitivity. As practical implementation of time-resolved LRET microscopy requires several potentially unfamiliar experimental techniques, we explicitly describe herein methods to label proteins in living mammalian cells with luminescent terbium complexes, image interactions between terbium-labeled proteins and green fluorescent protein fusions, and quantitatively analyze LRET images. PMID:22289461

  15. Time resolved fluorescence from parity mixed rotational energy levels - Collisions vs electric field effects

    NASA Astrophysics Data System (ADS)

    Mandich, M. L.; Gaebe, C. E.; Gottscho, R. A.

    1985-10-01

    Moore et al. (1984) have described a method for the in situ and nonintrusive measurement of plasma electric fields by a method involving the excitation of a parity or Lambda doublet of the polar diatomic molecule BCl. Three approximations are made in deriving a theoretical relationship between field strength and the forbidden to allowed line intensity ratio. One approximation is related to the neglect of collisional transfer, while another is based on the neglect of coherent phenomena, such as quantum beats between the mixed parity levels. New experimental evidence is provided, and it is shown that the latter approximation is not always justified. The last assumption is the neglect of hyperfine structure effects on field-dependent line intensities and polarizations. Hyperfine effects are accounted for in a phenomenological fashion which is justified empirically. Attention is given to both time-resolved and time-integrated fluorescence measurements from parity-mixed energy levels in the polar diatomic molecule BCl.

  16. Development of time resolved fluorescence resonance energy transfer-based assay for FXR antagonist discovery.

    PubMed

    Yu, Donna D; Lin, Wenwei; Chen, Taosheng; Forman, Barry M

    2013-07-15

    FXR (farnesoid X receptor, NRIH4), a nuclear receptor, plays a major role in the control of cholesterol metabolism. FXR ligands have been investigated in preclinical studies for targeted therapy against metabolic diseases, but have shown limitations. Therefore, there is a need for new agonist or antagonist ligands of FXR, both for potential clinical applications, as well as to further elucidate its biological functions. Here we describe the use of the X-ray crystal structure of FXR complexed with the potent small molecule agonist GW4064 to design and synthesize a novel fluorescent, high-affinity probe (DY246) for time resolved fluorescence resonance energy transfer (TR-FRET) assays. We then used the TR-FRET assay for high throughput screening of a library of over 5000 bioactive compounds. From this library, we identified 13 compounds that act as putative FXR transcriptional antagonists.

  17. Investigation of microstructure within metal welds by energy resolved neutron imaging

    NASA Astrophysics Data System (ADS)

    Tremsin, A. S.; Kockelmann, W.; Paradowska, A. M.; Zhang, Shu-Yan; Korsunsky, A. M.; Shinohara, T.; Feller, W. B.; Lehmann, E. H.

    2016-09-01

    The recent development of bright pulsed neutron sources and high resolution neutron counting detectors enables simultaneous acquisition of a neutron transmission spectrum for each pixel of the image. These spectra can be used to reconstruct microstructure parameters within welds, such as strain, texture and phase composition through Bragg edge analysis, and in some cases elemental composition through resonance absorption analysis. In this paper we demonstrate the potential of energy-resolved neutron imaging to study the microstructures of two steel welds, where the spatial distribution of residual strain within the welds, as well as some information on the texture, are obtained with sub-mm spatial resolution. A friction stir weld of two steel plates and a conventional weld of two steel pipes were studied at pulsed neutron facilities, where a Δλ/λ resolution as low as 0.2% can be attained over a wide range of neutron wavelengths ranging from 0.5 Å to 8 Å.

  18. Time-resolved Förster-resonance-energy-transfer DNA assay on an active CMOS microarray

    PubMed Central

    Schwartz, David Eric; Gong, Ping; Shepard, Kenneth L.

    2008-01-01

    We present an active oligonucleotide microarray platform for time-resolved Förster resonance energy transfer (TR-FRET) assays. In these assays, immobilized probe is labeled with a donor fluorophore and analyte target is labeled with a fluorescence quencher. Changes in the fluorescence decay lifetime of the donor are measured to determine the extent of hybridization. In this work, we demonstrate that TR-FRET assays have reduced sensitivity to variances in probe surface density compared with standard fluorescence-based microarray assays. Use of an active array substrate, fabricated in a standard complementary metal-oxide-semiconductor (CMOS) process, provides the additional benefits of reduced system complexity and cost. The array consists of 4096 independent single-photon avalanche diode (SPAD) pixel sites and features on-chip time-to-digital conversion. We demonstrate the functionality of our system by measuring a DNA target concentration series using TR-FRET with semiconductor quantum dot donors. PMID:18515059

  19. A time-resolved fluorescence study of electronic excitation energy transport in concentrated dye solutions

    NASA Astrophysics Data System (ADS)

    Scully, A. D.; Matsumoto, A.; Hirayama, S.

    1991-11-01

    Singlet-state radiative and nonradiative energy transport among randomly distributed donor and acceptor molecules in solutions of ethylene glycol has been investigated by using time-resolved fluorescence spectroscopy. Radiative energy transfer in moderately concentrated solutions of rhodamine 6G contained in a 1 cm pathlength cuvette results in nonexponential fluorescence decay curves which can be described in terms of the relative fluorescence emission yield of the ith transfer process, φ i, the average number of transfer steps, < n >, and the apparent fluorescence lifetime, <τ >. The fluorescence decay profiles measured from thin films (⩽ 20 μm) of solutions of rhodamine 6G donors in the presence of malachite green acceptors are also nonexponential and at low donor concentrations (1.0 × 10 -4 M) the decay curves can be described by using Förster's dipole-dipole model for nonradiative energy transfer, where the value for the critical transfer distance, R0, is calculated to be (5.9±0.1) nm. At higher donor concentrations (3.0 × 10 -3 M) the Förster model is inappropriate. However, the model proposed by Loring, Anderson and Fayer (LAF), which allows for the effects of nonradiative energy transfer among donors, provides excellent fits to the experimentally determined fluorescence decay curves for this donor concentration and results in a value of R0 for nonradiative energy transfer between rhodamine 6G chromophores of (5.8±0.1) nm. The LAF model also provides a satisfactory description of the kinetics of the quenching by rhodamine 6G dimers of the fluorescence from thin films of highly concentrated solutions of rhodamine 6G. The value of R0 for nonradiative energy transfer from monomer to dimer and the equilibrium constant for rhodamine 6G dimerization are calculated to be (3.2±0.1) nm and 19 M -1, respectively.

  20. Quantification of surface amorphous content using dispersive surface energy: the concept of effective amorphous surface area.

    PubMed

    Brum, Jeffrey; Burnett, Daniel

    2011-09-01

    We investigate the use of dispersive surface energy in quantifying surface amorphous content, and the concept of effective amorphous surface area is introduced. An equation is introduced employing the linear combination of surface area normalized square root dispersive surface energy terms. This equation is effective in generating calibration curves when crystalline and amorphous references are used. Inverse gas chromatography is used to generate dispersive surface energy values. Two systems are investigated, and in both cases surface energy data collected for physical mixture samples comprised of amorphous and crystalline references fits the predicted response with good accuracy. Surface amorphous content of processed lactose samples is quantified using the calibration curve, and interpreted within the context of effective amorphous surface area. Data for bulk amorphous content is also utilized to generate a thorough picture of how disorder is distributed throughout the particle. An approach to quantifying surface amorphous content using dispersive surface energy is presented. Quantification is achieved by equating results to an effective amorphous surface area based on reference crystalline, and amorphous materials. PMID:21725707

  1. Energy-resolved CT imaging with a photon-counting silicon-strip detector

    NASA Astrophysics Data System (ADS)

    Persson, Mats; Huber, Ben; Karlsson, Staffan; Liu, Xuejin; Chen, Han; Xu, Cheng; Yveborg, Moa; Bornefalk, Hans; Danielsson, Mats

    2014-11-01

    Photon-counting detectors are promising candidates for use in the next generation of x-ray computed tomography (CT) scanners. Among the foreseen benefits are higher spatial resolution, better trade-off between noise and dose and energy discriminating capabilities. Silicon is an attractive detector material because of its low cost, mature manufacturing process and high hole mobility. However, it is sometimes overlooked for CT applications because of its low absorption efficiency and high fraction of Compton scatter. The purpose of this work is to demonstrate that silicon is a feasible material for CT detectors by showing energy-resolved CT images acquired with an 80 kVp x-ray tube spectrum using a photon-counting silicon-strip detector with eight energy thresholds developed in our group. We use a single detector module, consisting of a linear array of 50 0.5 × 0.4 mm detector elements, to image a phantom in a table-top lab setup. The phantom consists of a plastic cylinder with circular inserts containing water, fat and aqueous solutions of calcium, iodine and gadolinium, in different concentrations. By using basis material decomposition we obtain water, calcium, iodine and gadolinium basis images and demonstrate that these basis images can be used to separate the different materials in the inserts. We also show results showing that the detector has potential for quantitative measurements of substance concentrations.

  2. The MASSIVE Survey - V. Spatially-Resolved Stellar Angular Momentum, Velocity Dispersion, and Higher Moments of the 41 Most Massive Local Early-Type Galaxies

    NASA Astrophysics Data System (ADS)

    Veale, Melanie; Ma, Chung-Pei; Thomas, Jens; Greene, Jenny E.; McConnell, Nicholas J.; Walsh, Jonelle; Ito, Jennifer; Blakeslee, John P.; Janish, Ryan

    2016-09-01

    We present spatially-resolved two-dimensional stellar kinematics for the 41 most massive early-type galaxies (MK ≲ -25.7 mag, stellar mass M★ ≳ 1011.8 M⊙) of the volume-limited (D < 108 Mpc) MASSIVE survey. For each galaxy, we obtain high-quality spectra in the wavelength range of 3650 to 5850 Å from the 246-fiber Mitchell integral-field spectrograph (IFS) at McDonald Observatory, covering a 107″ × 107″ field of view (often reaching 2 to 3 effective radii). We measure the 2-D spatial distribution of each galaxy's angular momentum (λ and fast or slow rotator status), velocity dispersion (σ), and higher-order non-Gaussian velocity features (Gauss-Hermite moments h3 to h6). Our sample contains a high fraction (˜80%) of slow and non-rotators with λ ≲ 0.2. When combined with the lower-mass ETGs in the ATLAS3D survey, we find the fraction of slow-rotators to increase dramatically with galaxy mass, reaching ˜50% at MK ˜ -25.5 mag and ˜90% at MK ≲ -26 mag. All of our fast rotators show a clear anti-correlation between h3 and V/σ, and the slope of the anti-correlation is steeper in more round galaxies. The radial profiles of σ show a clear luminosity and environmental dependence: the 12 most luminous galaxies in our sample (MK ≲ -26 mag) are all brightest cluster/group galaxies (except NGC 4874) and all have rising or nearly flat σ profiles, whereas five of the seven "isolated" galaxies are all fainter than MK = -25.8 mag and have falling σ. All of our galaxies have positive average h4; the most luminous galaxies have average h4 ˜ 0.05 while less luminous galaxies have a range of values between 0 and 0.05. Most of our galaxies show positive radial gradients in h4, and those galaxies also tend to have rising σ profiles. We discuss the implications for the relationship among dynamical mass, σ, h4, and velocity anisotropy for these massive galaxies.

  3. Spatially and momentum resolved energy electron loss spectra from an ultra-thin PrNiO{sub 3} layer

    SciTech Connect

    Kinyanjui, M. K. Kaiser, U.; Benner, G.; Pavia, G.; Boucher, F.; Habermeier, H.-U.; Keimer, B.

    2015-05-18

    We present an experimental approach which allows for the acquisition of spectra from ultra-thin films at high spatial, momentum, and energy resolutions. Spatially and momentum (q) resolved electron energy loss spectra have been obtained from a 12 nm ultra-thin PrNiO{sub 3} layer using a nano-beam electron diffraction based approach which enabled the acquisition of momentum resolved spectra from individual, differently oriented nano-domains and at different positions of the PrNiO{sub 3} thin layer. The spatial and wavelength dependence of the spectral excitations are obtained and characterized after the analysis of the experimental spectra using calculated dielectric and energy loss functions. The presented approach makes a contribution towards obtaining momentum-resolved spectra from nanostructures, thin film, heterostructures, surfaces, and interfaces.

  4. High-energy dispersion anomalies in actinide compounds

    NASA Astrophysics Data System (ADS)

    Das, T.; Durakiewicz, T.; Zhu, J.-X.; Joyce, J. J.; Graf, Matthias J.

    2012-02-01

    The observation of a prominent peak-dip-hump feature in the spectral weight in number of actinide compounds including Pu-115 superconductors and non-superconducting U-115 remains an unsolved problem. We have developed a first-principles intermediate coupling model to show that most aspects of these strong correlation features can be understood from the spin-fluctuation interaction.[1] The results show that a strong peak in the spin-fluctuation dressed self-energy is present around 0.5 eV in all these materials, which is mostly created by spin-orbit split 5f bands. These fluctuations couple to the single-particle spectrum and give rise to a peak-dip-hump feature, characteristic of the coexistence of itinerant and localized electronic states. Results are in quantitative agreement with photoemission spectra. Finally, we show that the studied actinides can be understood within the rigid-band filling approach, in which the spin-fluctuation coupling constant follows the same materials dependence as the superconducting transition temperature Tc. Work is supported by US DOE. [4pt] [1] T. Das. J.-X. Zhu, and M. J. Graf, arXiv:1108.0272

  5. X-ray photo-emission and energy dispersive spectroscopy of HA coated titanium

    SciTech Connect

    Drummond, J.L.; Steinberg, A.D.; Krauss, A.R.

    1997-08-01

    The purpose of this study was to determine the chemical composition changes of hydroxyapatite (HA) coated titanium using surface analysis (x-ray photo-emission) and bulk analysis (energy dispersive spectroscopy). The specimens examined were controls, 30 minutes and 3 hours aged specimens in distilled water or 0.2M sodium phosphate buffer (pH 7.2) at room temperature. Each x-ray photo-emission cycle consisted of 3 scans followed by argon sputtering for 10 minutes for a total of usually 20 cycles, corresponding to a sampling depth of {approximately} 1500 {angstrom}. The energy dispersive spectroscopy analysis was on a 110 by 90 {mu}m area for 500 sec. Scanning electron microscopy examination showed crystal formation (3P{sub 2}O{sub 5}*2CAO*?H{sub 2}O by energy dispersive spectroscopy analysis) on the HA coating for the specimens aged in sodium phosphate buffer. The x-ray photo-emission results indicated the oxidation effect of water on the titanium (as TiO{sub 2}) and the effect of the buffer to increase the surface concentration of phosphorous. No differences in the chemical composition were observed by energy dispersive spectroscopy analysis. The crystal growth was only observed for the sodium phosphate buffer specimens and only on the HA surface.

  6. Energy-Dispersive X-Ray Fluorescence Spectrometry: A Long Overdue Addition to the Chemistry Curriculum

    ERIC Educational Resources Information Center

    Palmer, Peter T.

    2011-01-01

    Portable Energy-Dispersive X-Ray Fluorescence (XRF) analyzers have undergone significant improvements over the past decade. Salient advantages of XRF for elemental analysis include minimal sample preparation, multielement analysis capabilities, detection limits in the low parts per million (ppm) range, and analysis times on the order of 1 min.…

  7. On the calculation of the gauge volume size for energy-dispersive X-ray diffraction.

    PubMed

    Rowles, Matthew R

    2011-11-01

    Equations for the calculation of the dimensions of a gauge volume, also known as the active volume or diffraction lozenge, in an energy-dispersive diffraction experiment where the detector is collimated by two ideal slits have been developed. Equations are given for equatorially divergent and parallel incident X-ray beams, assuming negligible axial divergence. PMID:21997921

  8. Analysis of tincal ore waste by energy dispersive X-ray fluorescence (EDXRF) Technique

    NASA Astrophysics Data System (ADS)

    Kalfa, Orhan Murat; Üstündağ, Zafer; Özkırım, Ilknur; Kagan Kadıoğlu, Yusuf

    2007-01-01

    Etibank Borax Plant is located in Kırka-Eskişehir, Turkey. The borax waste from this plant was analyzed by means of energy dispersive X-ray fluorescence (EDXRF). The standard addition method was used for the determination of the concentration of Al, Fe, Zn, Sn, and Ba. The results are presented and discussed in this paper.

  9. Rossby wave energy dispersion from tropical cyclone in zonal basic flows

    NASA Astrophysics Data System (ADS)

    Shi, Wenli; Fei, Jianfang; Huang, Xiaogang; Liu, Yudi; Ma, Zhanhong; Yang, Lu

    2016-04-01

    This study investigates tropical cyclone energy dispersion under horizontally sheared flows using a nonlinear barotropic model. In addition to common patterns, unusual features of Rossby wave trains are also found in flows with constant vorticity and vorticity gradients. In terms of the direction of the energy dispersion, the wave train can rotate clockwise and elongate southwestward under anticyclonic circulation (ASH), which contributes to the reenhancement of the tropical cyclone (TC). The wave train even splits into two obvious wavelike trains in flows with a southward vorticity gradient (WSH). Energy dispersed from TCs varies over time, and variations in the intensity of the wave train components typically occur in two stages. Wave-activity flux diagnosis and ray tracing calculations are extended to the frame that moves along with the TC to reveal the concrete progress of wave propagation. The direction of the wave-activity flux is primarily determined by the combination of the basic flow and the TC velocity. Along the flux, the distribution of pseudomomentum effectively illustrates the development of wave trains, particularly the rotation and split of wave propagation. Ray tracing involves the quantitative tracing of wave features along rays, which effectively coincide with the wave train regimes. Flows of a constant shear (parabolic meridional variation) produce linear (nonlinear) wave number variations. For the split wave trains, the real and complex wave number waves move along divergent trajectories and are responsible for different energy dispersion ducts.

  10. Two and three-body interatomic dispersion energy contributions to binding in molecules and solids

    NASA Astrophysics Data System (ADS)

    von Lilienfeld, Anatole; Tkatchenko, Alexandre

    2010-03-01

    Numerical estimates of the leading two and three body dispersion energy terms in van der Waals (vdW) interactions are presented for a broad variety of molecules and solids. The calculations employ London and Axilrod-Teller-Muto expressions damped at short interatomic distances, where the required interatomic dispersion energy coefficients, C6 and C9, are computed from first-principles. The investigated systems include the S22 database of non-covalent interactions, benzene and ice crystals, bilayer graphene, fullerene dimer, a poly peptide (Ala10), an intercalated drug-DNA model (Ellipticine-d(CG)2), 42 DNA base pairs, a protein (DHFR, 2616 atoms), double stranded DNA (1905 atoms), and molecular crystals from a crystal structure blind test. We find that the 2 and 3-body interatomic dispersion energies contribute significantly to binding and cohesive energies, for some systems they can reach up to 50% of experimental estimates of absolute binding. Our results suggest that interatomic 3-body dispersion potentials should be accounted for in atomistic simulations when modeling bulky molecules or condensed phase systems.

  11. The relative effect of behaviour in larval dispersal in a low energy embayment

    NASA Astrophysics Data System (ADS)

    Daigle, Rémi M.; Chassé, Joël; Metaxas, Anna

    2016-05-01

    This study examined the relative importance of tidal phase, larval behaviour, release site, depth layer, and vertical swimming velocity on mean in-sea dispersal distance, retention, distance from shore, and population connectivity. Using a biophysical model, we simulated larval dispersal of marine benthic invertebrates for 6 taxonomic groups representing different combinations of swimming speed, and depth preference in St. George's Bay, NS, Canada, a shallow bay with low energy (e.g. lack of estuarine circulation). The biophysical model was run over a period of 3 months, from Jul to Sep, representing the period when larvae of the targeted species were present, and at each of 3 years. Overall, release site had the strongest effect of all factors on the dispersal metrics. Although less important than release site in our system, vertical distribution and swim speed had a significant effect which would likely be more pronounced in high (i.e. with features such as estuarine circulation or internal waves) than low energy environments. Retention and distance from shore were more responsive to our manipulations than dispersal distance, both in terms of the number of ecologically significant effects and the magnitudes of their effect size. These findings allow for the prioritization of biophysical model parameters and improved simulations of larval dispersal.

  12. First order variation of the dispersion function with particle energy deviation

    SciTech Connect

    Delahaye, J.P.; Jaeger, J.

    1984-12-01

    The variation of the dispersion function with the particle energy deviation can presently be calculated from second order transfer matrices; its periodic solution is determined numerically. The general differential equations for the dispersion function deduced from the complete equation of motion to second order are solved, using Green's function integral leading to an analytical expression of the periodic solution of the dispersion function D/sub 0/ and of the first order perturbation, D/sub 1/, with respect to energy deviation. The same method can be extended to higher order perturbations of the dispersion function. The determination of the periodic solution as well as the transportation of these two dispersion functions through any element depends only on two particular integrals. These integrals are derived for the general case of a combined function magnet, with up to second order components. The derivation includes the contribution from the edges. Chapter 2 and 3 deal with closed machines, chapter 4 applies these results to beam transport lines. These analytical expressions are then applied to a typical machine in order to illustrate the most important driving terms; the results do agree with those obtained by optics programs like MAD or DIMAT based on second order transfer matrices.

  13. Spatially Resolving the Very High Energy Emission from MGRO J2019+37 with VERITAS

    NASA Astrophysics Data System (ADS)

    Aliu, E.; Aune, T.; Behera, B.; Beilicke, M.; Benbow, W.; Berger, K.; Bird, R.; Bouvier, A.; Buckley, J. H.; Bugaev, V.; Cerruti, M.; Chen, X.; Ciupik, L.; Connolly, M. P.; Cui, W.; Dumm, J.; Dwarkadas, V. V.; Errando, M.; Falcone, A.; Federici, S.; Feng, Q.; Finley, J. P.; Fleischhack, H.; Fortin, P.; Fortson, L.; Furniss, A.; Galante, N.; Gillanders, G. H.; Gotthelf, E. V.; Griffin, S.; Griffiths, S. T.; Grube, J.; Gyuk, G.; Hanna, D.; Holder, J.; Hughes, G.; Humensky, T. B.; Johnson, C. A.; Kaaret, P.; Kargaltsev, O.; Kertzman, M.; Khassen, Y.; Kieda, D.; Krennrich, F.; Lang, M. J.; Madhavan, A. S.; Maier, G.; McArthur, S.; McCann, A.; Millis, J.; Moriarty, P.; Mukherjee, R.; Nieto, D.; O'Faoláin de Bhróithe, A.; Ong, R. A.; Otte, A. N.; Pandel, D.; Park, N.; Pohl, M.; Popkow, A.; Prokoph, H.; Quinn, J.; Ragan, K.; Rajotte, J.; Reyes, L. C.; Reynolds, P. T.; Richards, G. T.; Roache, E.; Roberts, M.; Sembroski, G. H.; Shahinyan, K.; Smith, A. W.; Staszak, D.; Telezhinsky, I.; Tucci, J. V.; Tyler, J.; Vincent, S.; Wakely, S. P.; Weinstein, A.; Welsing, R.; Wilhelm, A.; Williams, D. A.; Zitzer, B.

    2014-06-01

    We present very high energy (VHE) imaging of MGRO J2019+37 obtained with the VERITAS observatory. The bright extended (~2°) unidentified Milagro source is located toward the rich star formation region Cygnus-X. MGRO J2019+37 is resolved into two VERITAS sources. The faint, point-like source VER J2016+371 overlaps CTB 87, a filled-center remnant (SNR) with no evidence of a supernova remnant shell at the present time. Its spectrum is well fit in the 0.65-10 TeV energy range by a power-law model with photon index 2.3 ± 0.4. VER J2019+378 is a bright extended (~1°) source that likely accounts for the bulk of the Milagro emission and is notably coincident with PSR J2021+3651 and the star formation region Sh 2-104. Its spectrum in the range 1-30 TeV is well fit with a power-law model of photon index 1.75 ± 0.3, among the hardest values measured in the VHE band, comparable to that observed near Vela-X. We explore the unusual spectrum and morphology in the radio and X-ray bands to constrain possible emission mechanisms for this source.

  14. Energy release in the solar corona from spatially resolved magnetic braids.

    PubMed

    Cirtain, J W; Golub, L; Winebarger, A R; De Pontieu, B; Kobayashi, K; Moore, R L; Walsh, R W; Korreck, K E; Weber, M; McCauley, P; Title, A; Kuzin, S; DeForest, C E

    2013-01-24

    It is now apparent that there are at least two heating mechanisms in the Sun's outer atmosphere, or corona. Wave heating may be the prevalent mechanism in quiet solar periods and may contribute to heating the corona to 1,500,000 K (refs 1-3). The active corona needs additional heating to reach 2,000,000-4,000,000 K; this heat has been theoretically proposed to come from the reconnection and unravelling of magnetic 'braids'. Evidence favouring that process has been inferred, but has not been generally accepted because observations are sparse and, in general, the braided magnetic strands that are thought to have an angular width of about 0.2 arc seconds have not been resolved. Fine-scale braiding has been seen in the chromosphere but not, until now, in the corona. Here we report observations, at a resolution of 0.2 arc seconds, of magnetic braids in a coronal active region that are reconnecting, relaxing and dissipating sufficient energy to heat the structures to about 4,000,000 K. Although our 5-minute observations cannot unambiguously identify the field reconnection and subsequent relaxation as the dominant heating mechanism throughout active regions, the energy available from the observed field relaxation in our example is ample for the observed heating. PMID:23344359

  15. Spatially resolving the very high energy emission from MGRO J2019+37 with VERITAS

    SciTech Connect

    Aliu, E.; Errando, M.; Aune, T.; Behera, B.; Chen, X.; Federici, S.; Beilicke, M.; Buckley, J. H.; Bugaev, V.; Benbow, W.; Cerruti, M.; Berger, K.; Bird, R.; Bouvier, A.; Ciupik, L.; Connolly, M. P.; Cui, W.; Dumm, J.; Dwarkadas, V. V.; Falcone, A. E-mail: nahee@uchicago.edu; and others

    2014-06-10

    We present very high energy (VHE) imaging of MGRO J2019+37 obtained with the VERITAS observatory. The bright extended (∼2°) unidentified Milagro source is located toward the rich star formation region Cygnus-X. MGRO J2019+37 is resolved into two VERITAS sources. The faint, point-like source VER J2016+371 overlaps CTB 87, a filled-center remnant (SNR) with no evidence of a supernova remnant shell at the present time. Its spectrum is well fit in the 0.65-10 TeV energy range by a power-law model with photon index 2.3 ± 0.4. VER J2019+378 is a bright extended (∼1°) source that likely accounts for the bulk of the Milagro emission and is notably coincident with PSR J2021+3651 and the star formation region Sh 2–104. Its spectrum in the range 1-30 TeV is well fit with a power-law model of photon index 1.75 ± 0.3, among the hardest values measured in the VHE band, comparable to that observed near Vela-X. We explore the unusual spectrum and morphology in the radio and X-ray bands to constrain possible emission mechanisms for this source.

  16. Feasibility of using energy-resolving detectors in differential phase-contrast imaging

    NASA Astrophysics Data System (ADS)

    Baturin, Pavlo

    2016-03-01

    In a common clinical setting, conventional absorption-based imaging provides relatively good contrast between bonelike and soft-tissue materials. The reliability of material differentiation, however, is hampered when materials with similar absorption properties are scanned. This problem can be addressed by utilizing a spectral imaging technique whereby multiple X-ray measurements are taken at different beam conditions. In this work, we discuss the possibility of using a spectral imaging approach in a grating-based, differential-phase contrast-imaging (DPCI) modality. Two approaches, dual exposure with a conventional flat-panel detector (FPD) and a single exposure with a photon-counting energy-resolving detector (PCD), were reviewed. The feasibility of a single-exposure DPCI and a two-bin PCD setup was assessed quantitatively by a least-squares minimization algorithm applied to an X-ray diffraction pattern. It was shown that a two-peak-shaped X-ray spectrum can allow PCDs to be placed unambiguously at single Talbot distances making it possible to simultaneously detect photons in each energy bin with comparable efficiencies. The results of this work can help build a bridge between two rapidly developing imaging modalities, X-ray spectral imaging and X-ray DPCI.

  17. Low-energy phonon dispersion in LaFe4Sb12

    NASA Astrophysics Data System (ADS)

    Leithe-Jasper, Andreas; Boehm, Martin; Mutka, Hannu; Koza, Michael M.

    We studied the vibrational dynamics of a single crystal of LaFe4Sb12 by three-axis inelastic neutron spectroscopy. The dispersion of phonons with wave vectors q along [ xx 0 ] and [ xxx ] directions in the energy range of eigenmodes with high amplitudes of lanthanum vibrations, i.e., at ℏω < 12 meV is identified. Symmetry-avoided anticrossing dispersion of phonons is established in both monitored directions and distinct eigenstates at high-symmetry points and at the Brillouin-zone center are discriminated. The experimentally derived phonon dispersion and intensities are compared with and backed up by ab initio lattice dynamics calculations. results of the computer model match well with the experimental data.

  18. HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation

    NASA Astrophysics Data System (ADS)

    Yanagisawa, Susumu; Morikawa, Yoshitada; Schindlmayr, Arno

    2013-09-01

    We investigate the band dispersion and relevant electronic properties of rubrene single crystals within the GW approximation. Due to the self-energy correction, the dispersion of the highest occupied molecular orbital (HOMO) band increases by 0.10 eV compared to the dispersion of the Kohn-Sham eigenvalues within the generalized gradient approximation, and the effective hole mass consequently decreases. The resulting value of 0.90 times the electron rest mass along the Γ-Y direction in the Brillouin zone is closer to experimental measurements than that obtained from density-functional theory. The enhanced bandwidth is explained in terms of the intermolecular hybridization of the HOMO(Y) wave function along the stacking direction of the molecules. Overall, our results support the bandlike interpretation of charge-carrier transport in rubrene.

  19. Conformational transitions in the calcium adenosinetriphosphatase studied by time-resolved fluorescence resonance energy transfer.

    PubMed

    Birmachu, W; Nisswandt, F L; Thomas, D D

    1989-05-01

    We have used time-resolved fluorescence to study proposed conformational transitions in the Ca-ATPase in skeletal sarcoplasmic reticulum (SR). Resonance energy transfer was used to measure distances between the binding sites of 5-[[2-[(iodoacetyl)amino]ethyl]amino]naphthalene-1-sulfonic acid (IAEDANS) and fluorescein 5-isothiocyanate (FITC) as a function of conditions proposed to affect the enzyme's conformation. When 1.0 +/- 0.15 IAEDANS is bound per Ca-ATPase, most (76 +/- 4%) of the probes have an excited-state lifetime (tau) of 18.6 +/- 0.5 ns, and the remainder have a lifetime of 2.5 +/- 0.9 ns. When FITC is bound to a specific site on each IAEDANS-labeled enzyme, most of the long-lifetime component is quenched into two short-lifetime components, indicating energy transfer that corresponds to two donor-acceptor distances. About one-third of the quenched population has a lifetime tau = 11.1 +/- 2.5 ns, corresponding to a transfer efficiency E = 0.40 +/- 0.07 and a donor-acceptor distance R1 = 52 +/- 3 A. The remaining two-thirds exhibit lifetimes in the range of 1.2-4.2 ns, corresponding to a second distance 31 A less than or equal to R2 less than or equal to 40 A. Addition of Ca2+ (in the micromolar to millimolar range), or vanadate (to produce a phosphoenzyme analogue), had no effect on the donor-acceptor distances. Addition of decavanadate results in the quenching of IAEDANS fluorescence but has no effect on the energy-transfer distance.(ABSTRACT TRUNCATED AT 250 WORDS)

  20. Resonance energy transfer from dibucaine to acriflavine in polystyrene latex dispersions.

    PubMed

    Li, Yuan; Kuwabara, Hiroe; Gong, Yong-Kuan; Takaki, Yuki; Nakashima, Kenichi

    2003-07-01

    Resonance energy transfer from dibucaine (DC) to acriflavine (AF) has been investigated both in homogeneous aqueous solutions and in polystyrene latex dispersions. The energy transfer reaction is observed by monitoring fluorescence quenching of DC as well as sensitized emission of AF. It is found that the energy transfer from DC to AF is remarkably enhanced on going from the aqueous homogeneous solution to the latex dispersion. This is mainly attributed to the fact that both the donor and acceptor are effectively adsorbed onto the latex particles, as evidenced by the measurement of adsorption isotherms. From the adsorption experiments, it is also elucidated that electrostatic interaction is significant at low DC concentration, while hydrophobic interaction dominates at the higher concentration especially at higher pH.

  1. Low-energy dispersion of dynamic charge stripes in La1.75Sr0.25NiO4 observed with inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Zhong, Ruidan; Tranquada, John; Gu, Genda; Reznik, Dmitry; Winn, Barry

    The dynamic stripe correlations have been the subject of intense research, owing to the possible links with high-Tc superconductivity. In light of a recently published, direct observation of charge-stripe fluctuations in La2-xSrxNiO4 using inelastic neutron scattering, we did a follow-up neutron experiment on a x=0.25 sample to characterize the low-energy dispersion of these dynamic charge stripes using the HYSPEC instrument at the Spallation Neutron Source. The scattering signals are collected in the vicinity of a charge-order peak with a large wave vector (4.4, 3, 0), where dynamic spin-stripe correlations are negligible. Mapping the low-energy charge-stripe fluctuations in a wide temperature range, we observe a finite dispersion along the stripe-modulation direction at T >=160K where the charge stripes become disordered, while the steep dispersion in the orthogonal direction is not resolved. Work at BNL supported by Office of Basic Energy Sciences, US DOE, under Contract No. DE-SC00112704.

  2. High-dispersion energy analyzer of charged particles in the form of two coaxial cylinders with an end diaphragm

    NASA Astrophysics Data System (ADS)

    Fishkova, T. Ya.

    2012-12-01

    We propose an energy analyzer of charged particles based on the coaxial electrostatic lens that has been studied earlier. The optimal regimes of operation of such an analyzer are determined using numerical simulation by varying four independent parameters. It is found that linear energy dispersion is an order of magnitude higher than the dispersion of widely used energy analyzers of the type of a plane and cylindrical mirrors, as well as a number of other devices for analyzing the energy of charged particles.

  3. Invited article: The fast readout low noise camera as a versatile x-ray detector for time resolved dispersive extended x-ray absorption fine structure and diffraction studies of dynamic problems in materials science, chemistry, and catalysis

    SciTech Connect

    Labiche, Jean-Claude; Mathon, Olivier; Pascarelli, Sakura; Newton, Mark A.; Ferre, Gemma Guilera; Curfs, Caroline; Vaughan, Gavin; Homs, Alejandro; Carreiras, David Fernandez

    2007-09-15

    Originally conceived and developed at the European Synchrotron Radiation Facility (ESRF) as an 'area' detector for rapid x-ray imaging studies, the fast readout low noise (FReLoN) detector of the ESRF [J.-C. Labiche, ESRF Newsletter 25, 41 (1996)] has been demonstrated to be a highly versatile and unique detector. Charge coupled device (CCD) cameras at present available on the public market offer either a high dynamic range or a high readout speed. A compromise between signal dynamic range and readout speed is always sought. The parameters of the commercial cameras can sometimes be tuned, in order to better fulfill the needs of specific experiments, but in general these cameras have a poor duty cycle (i.e., the signal integration time is much smaller than the readout time). In order to address scientific problems such as time resolved experiments at the ESRF, a FReLoN camera has been developed by the Instrument Support Group at ESRF. This camera is a low noise CCD camera that combines high dynamic range, high readout speed, accuracy, and improved duty cycle in a single image. In this paper, we show its application in a quasi-one-dimensional sense to dynamic problems in materials science, catalysis, and chemistry that require data acquisition on a time scale of milliseconds or a few tens of milliseconds. It is demonstrated that in this mode the FReLoN can be applied equally to the investigation of rapid changes in long range order (via diffraction) and local order (via energy dispersive extended x-ray absorption fine structure) and in situations of x-ray hardness and flux beyond the capacity of other detectors.

  4. Application of high-resolution linear Radon transform for Rayleigh-wave dispersive energy imaging and mode separating

    USGS Publications Warehouse

    Luo, Y.; Xia, J.; Miller, R.D.; Liu, J.; Xu, Y.; Liu, Q.

    2008-01-01

    Multichannel Analysis of Surface Waves (MASW) analysis is an efficient tool to obtain the vertical shear-wave profile. One of the key steps in the MASW method is to generate an image of dispersive energy in the frequency-velocity domain, so dispersion curves can be determined by picking peaks of dispersion energy. In this paper, we image Rayleigh-wave dispersive energy and separate multimodes from a multichannel record by high-resolution linear Radon transform (LRT). We first introduce Rayleigh-wave dispersive energy imaging by high-resolution LRT. We then show the process of Rayleigh-wave mode separation. Results of synthetic and real-world examples demonstrate that (1) compared with slant stacking algorithm, high-resolution LRT can improve the resolution of images of dispersion energy by more than 50% (2) high-resolution LRT can successfully separate multimode dispersive energy of Rayleigh waves with high resolution; and (3) multimode separation and reconstruction expand frequency ranges of higher mode dispersive energy, which not only increases the investigation depth but also provides a means to accurately determine cut-off frequencies.

  5. Production and destruction of eddy kinetic energy in forced submesoscale eddy-resolving simulations

    NASA Astrophysics Data System (ADS)

    Mukherjee, Sonaljit; Ramachandran, Sanjiv; Tandon, Amit; Mahadevan, Amala

    2016-09-01

    We study the production and dissipation of the eddy kinetic energy (EKE) in a submesoscale eddy field forced with downfront winds using the Process Study Ocean Model (PSOM) with a horizontal grid resolution of 0.5 km. We simulate an idealized 100 m deep mixed-layer front initially in geostrophic balance with a jet in a domain that permits eddies within a range of O(1 km-100 km). The vertical eddy viscosities and the dissipation are parameterized using four different subgrid vertical mixing parameterizations: the k - ɛ , the KPP, and two different constant eddy viscosity and diffusivity profiles with a magnitude of O(10-2m2s-1) in the mixed layer. Our study shows that strong vertical eddy viscosities near the surface reduce the parameterized dissipation, whereas strong vertical eddy diffusivities reduce the lateral buoyancy gradients and consequently the rate of restratification by mixed-layer instabilities (MLI). Our simulations show that near the surface, the spatial variability of the dissipation along the periphery of the eddies depends on the relative alignment of the ageostrophic and geostrophic shear. Analysis of the resolved EKE budgets in the frontal region from the simulations show important similarities between the vertical structure of the EKE budget produced by the k - ɛ and KPP parameterizations, and earlier LES studies. Such an agreement is absent in the simulations using constant eddy-viscosity parameterizations.

  6. A homogeneous time-resolved fluorescence resonance energy transfer assay for phosphatidylserine exposure on apoptotic cells.

    PubMed

    Gasser, Jean-Philippe; Hehl, Michaela; Millward, Thomas A

    2009-01-01

    A simple, "mix-and-measure" microplate assay for phosphatidylserine (PtdSer) exposure on the surface of apoptotic cells is described. The assay exploits the fact that annexin V, a protein with high affinity and specificity for PtdSer, forms trimers and higher order oligomers on binding to membranes containing PtdSer. The transition from soluble monomer to cell-bound oligomer is detected using time-resolved fluorescence resonance energy transfer from europium chelate-labeled annexin V to Cy5-labeled annexin V. PtdSer detection is achieved by a single addition of a reagent mix containing labeled annexins and calcium ions directly to cell cultures in a 96-well plate, followed by a brief incubation before fluorescence measurement. The assay can be used to quantify PtdSer exposure on both suspension cells and adherent cells in situ. This method is simpler and faster than existing annexin V binding assays based on flow cytometry or microscopy, and it yields precise data with Z' values of 0.6-0.7. PMID:18835236

  7. Comparison of calculated and experimentally resolved rate constants for excitation energy transfer in C-phycocyanin. 1. Monomers

    SciTech Connect

    Debreczeny, M.P.; Sauer, K.; Zhou, J.; Bryant, D.A.

    1995-05-18

    Rate constants for excitation energy transfer in light-harvesting protein, C-phycocyanin (PC), in the monomeric aggregation state, isolated from the cyanobacterium cynechococcus sp. PCC 7002, are calculated, using Foerster theory and compared with the results of time-resolved fluorescence measurements. The assignments of the energy-transfer rate constants in PC monomers are confirmed here by time-resolved fluorescence anisotropy measurements of the PC monomers isolated from both the wild-type and a mutant strain (cpcB/C155S) whose PC is missing the {beta}{sub 155} chromophore. It is concluded that the Foerster model of resonant energy transfer in the weak coupling limit successfully describes the dominant energy-transfer processes in this protein in the monomeric state. 31 refs., 3 figs., 4 tabs.

  8. Computing dispersive, polarizable, and electrostatic shifts of excitation energy in supramolecular systems: PTCDI crystal.

    PubMed

    Megow, Jörg

    2016-09-01

    The gas-to-crystal-shift denotes the shift of electronic excitation energies, i.e., the difference between ground and excited state energies, for a molecule transferred from the gas to the bulk phase. The contributions to the gas-to-crystal-shift comprise electrostatic as well as inductive polarization and dispersive energy shifts of the molecular excitation energies due to interaction with environmental molecules. For the example of 3,4,9,10-perylene-tetracarboxylic-diimide (PTCDI) bulk, the contributions to the gas-to-crystal shift are investigated. In the present work, electrostatic interaction is calculated via Coulomb interaction of partial charges while inductive and dispersive interactions are obtained using respective sum over states expressions. The coupling of higher transition densities for the first 4500 excited states of PTCDI was computed using transition partial charges based on an atomistic model of PTCDI bulk obtained from molecular dynamics simulations. As a result it is concluded that for the investigated model system of a PTCDI crystal, the gas to crystal shift is dominated by dispersive interaction. PMID:27608991

  9. Computing dispersive, polarizable, and electrostatic shifts of excitation energy in supramolecular systems: PTCDI crystal

    NASA Astrophysics Data System (ADS)

    Megow, Jörg

    2016-09-01

    The gas-to-crystal-shift denotes the shift of electronic excitation energies, i.e., the difference between ground and excited state energies, for a molecule transferred from the gas to the bulk phase. The contributions to the gas-to-crystal-shift comprise electrostatic as well as inductive polarization and dispersive energy shifts of the molecular excitation energies due to interaction with environmental molecules. For the example of 3,4,9,10-perylene-tetracarboxylic-diimide (PTCDI) bulk, the contributions to the gas-to-crystal shift are investigated. In the present work, electrostatic interaction is calculated via Coulomb interaction of partial charges while inductive and dispersive interactions are obtained using respective sum over states expressions. The coupling of higher transition densities for the first 4500 excited states of PTCDI was computed using transition partial charges based on an atomistic model of PTCDI bulk obtained from molecular dynamics simulations. As a result it is concluded that for the investigated model system of a PTCDI crystal, the gas to crystal shift is dominated by dispersive interaction.

  10. Resolving Key Uncertainties in Subsurface Energy Recovery: One Role of In Situ Experimentation and URLs (Invited)

    NASA Astrophysics Data System (ADS)

    Elsworth, D.

    2013-12-01

    Significant uncertainties remain and influence the recovery of energy from the subsurface. These uncertainties include the fate and transport of long-lived radioactive wastes that result from the generation of nuclear power and have been the focus of an active network of international underground research laboratories dating back at least 35 years. However, other nascent carbon-free energy technologies including conventional and EGS geothermal methods, carbon-neutral methods such as carbon capture and sequestration and the utilization of reduced-carbon resources such as unconventional gas reservoirs offer significant challenges in their effective deployment. We illustrate the important role that in situ experiments may play in resolving behaviors at extended length- and time-scales for issues related to chemical-mechanical interactions. Significantly, these include the evolution of transport and mechanical characteristics of stress-sensitive fractured media and their influence of the long-term behavior of the system. Importantly, these interests typically relate to either creating reservoirs (hydroshearing in EGS reservoirs, artificial fractures in shales and coals) or maintaining seals at depth where the permeating fluids may include mixed brines, CO2, methane and other hydrocarbons. Critical questions relate to the interaction of these various fluid mixtures and compositions with the fractured substrate. Important needs are in understanding the roles of key processes (transmission, dissolution, precipitation, sorption and dynamic stressing) on the modification of effective stresses and their influence on the evolution of permeability, strength and induced seismicity on the resulting development of either wanted or unwanted fluid pathways. In situ experimentation has already contributed to addressing some crucial issues of these complex interactions at field scale. Important contributions are noted in understanding the fate and transport of long-lived wastes

  11. Ocular dispersion

    NASA Astrophysics Data System (ADS)

    Hammer, Daniel X.; Noojin, Gary D.; Thomas, Robert J.; Stolarski, David J.; Rockwell, Benjamin A.; Welch, Ashley J.

    1999-06-01

    Spectrally resolved white-light interferometry (SRWLI) was used to measure the wavelength dependence of refractive index (i.e., dispersion) for various ocular components. The accuracy of the technique was assessed by measurement of fused silica and water, the refractive indices of which have been measured at several different wavelengths. The dispersion of bovine and rabbit aqueous and vitreous humor was measured from 400 to 1100 nm. Also, the dispersion was measured from 400 to 700 nm for aqueous and vitreous humor extracted from goat and rhesus monkey eyes. For the humors, the dispersion did not deviate significantly from water. In an additional experiment, the dispersion of aqueous and vitreous humor that had aged up to a month was compared to freshly harvested material. No difference was found between the fresh and aged media. An unsuccessful attempt was also made to use the technique for dispersion measurement of bovine cornea and lens. Future refinement may allow measurement of the dispersion of cornea and lens across the entire visible and near-infrared wavelength band. The principles of white- light interferometry including image analysis, measurement accuracy, and limitations of the technique, are discussed. In addition, alternate techniques and previous measurements of ocular dispersion are reviewed.

  12. A New Technique for High-Pressure Angle-Dispersive Powder Diffraction Using an Energy-Dispersive Setup and White Synchrotron Radiation

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Uchida, T.; von Dreele, R. B.; Rivers, M. L.; Nishiyama, N.; Funakoshi, K.; Nozawa, A.; Kaneko, H.

    2004-12-01

    We introduce a new step-scan diffraction technique, which collects angle-dispersive data using a solid-state detector (SSD) and white synchrotron radiation. By step-scanning a well-calibrated SSD over a limited 2θ range, a series of 1-dimensional energy dispersive data (intensity vs. energy) are obtained as a function of 2θ . The entire intensity (Int) dataset consists of several thousand channels covering a range of photon energies, E, (up to ~150 keV) at each of the ~1000 2θ steps, forming a 2-4 mega-element two-dimensional array, Int(E, 2θ ). These intensity data are then regrouped according to photon energies, which are defined in the multichannel SSD as individual channels, yielding a large number of intensity versus 2θ (angle-dispersive) datasets, Int(E=const., 2θ ), each of which corresponds to a given photon energy or wavelength. The entire dataset, selected subsets or composite scans can be used for multiple dataset Rietveld refinement. Data collected on α -Al2O3 (a NIST diffraction standard) at ambient conditions, from both the tapered undulator at 13-ID-D, APS and the bending magnet beamline BL04B1, SPring-8, were analyzed using the Rietveld technique, with varying schemes of data treatment. We demonstrate that data within certain energy bands (Δ E/E=±10 percent) may be binned together to improve counting statistics in a composite angle dispersive scan, so that data can be collected with much coarser scan steps of 0.1° or 0.2° . This technique has been used to collect high-pressure angle-dispersive data at the BL04 bending magnet beamline at SPring-8, with the multianvil apparatus SPEED-1500, up to 20 GPa and 1100 K. Data obtained on several materials will be shown to demonstrate the feasibility of simultaneous high pressure and temperature Rietveld refinement.

  13. Scanning electron microscope/energy dispersive x ray analysis of impact residues in LDEF tray clamps

    NASA Technical Reports Server (NTRS)

    Bernhard, Ronald P.; Durin, Christian; Zolensky, Michael E.

    1993-01-01

    Detailed optical scanning of tray clamps is being conducted in the Facility for the Optical Inspection of Large Surfaces at JSC to locate and document impacts as small as 40 microns in diameter. Residues from selected impacts are then being characterized by Scanning Electron Microscopy/Energy Dispersive X-ray Analysis at CNES. Results from this analysis will be the initial step to classifying projectile residues into specific sources.

  14. Energy dispersive X-ray analysis on an absolute scale in scanning transmission electron microscopy.

    PubMed

    Chen, Z; D'Alfonso, A J; Weyland, M; Taplin, D J; Allen, L J; Findlay, S D

    2015-10-01

    We demonstrate absolute scale agreement between the number of X-ray counts in energy dispersive X-ray spectroscopy using an atomic-scale coherent electron probe and first-principles simulations. Scan-averaged spectra were collected across a range of thicknesses with precisely determined and controlled microscope parameters. Ionization cross-sections were calculated using the quantum excitation of phonons model, incorporating dynamical (multiple) electron scattering, which is seen to be important even for very thin specimens.

  15. Generating an image of dispersive energy by frequency decomposition and slant stacking

    USGS Publications Warehouse

    Xia, J.; Xu, Y.; Miller, R.D.

    2007-01-01

    We present a new algorithm for calculating an image of dispersive energy in the frequency-velocity (f-v) domain. The frequency decomposition is first applied to a shot gather in the offset-time domain to stretch impulsive data into pseudo-vibroseis data or frequency-swept data. Because there is a deterministic relationship between frequency and time in a sweep used in the frequency decomposition, the first step theoretically completes the transform from time to frequency. The slant stacking is then performed on the frequency-swept data to complete the transform from offset to velocity. This simple two-step algorithm generates an image of dispersive energy in the f-v domain. The straightforward transform only uses offset information of data so that this algorithm can be applied to data acquired with arbitrary geophone-acquisition geometry. Examples of synthetic and real-world data demonstrate that this algorithm generates accurate images of dispersive energy of the fundamental as well as higher modes. ?? Birkha??user Verlag, Basel, 2007.

  16. Conceptual understanding of climate change with a globally resolved energy balance model

    NASA Astrophysics Data System (ADS)

    Dommenget, Dietmar; Flöter, Janine

    2011-12-01

    The future climate change projections are essentially based on coupled general circulation model (CGCM) simulations, which give a distinct global warming pattern with arctic winter amplification, an equilibrium land-sea warming contrast and an inter-hemispheric warming gradient. While these simulations are the most important tool of the Intergovernmental Panel on Climate Change (IPCC) predictions, the conceptual understanding of these predicted structures of climate change and the causes of their uncertainties is very difficult to reach if only based on these highly complex CGCM simulations. In the study presented here we will introduce a very simple, globally resolved energy balance (GREB) model, which is capable of simulating the main characteristics of global warming. The model shall give a bridge between the strongly simplified energy balance models and the fully coupled 4-dimensional complex CGCMs. It provides a fast tool for the conceptual understanding and development of hypotheses for climate change studies, which shall build a basis or starting point for more detailed studies of observations and CGCM simulations. It is based on the surface energy balance by very simple representations of solar and thermal radiation, the atmospheric hydrological cycle, sensible turbulent heat flux, transport by the mean atmospheric circulation and heat exchange with the deeper ocean. Despite some limitations in the representations of the basic processes, the models climate sensitivity and the spatial structure of the warming pattern are within the uncertainties of the IPCC models simulations. It is capable of simulating aspects of the arctic winter amplification, the equilibrium land-sea warming contrast and the inter-hemispheric warming gradient with good agreement to the IPCC models in amplitude and structure. The results give some insight into the understanding of the land-sea contrast and the polar amplification. The GREB model suggests that the regional inhomogeneous

  17. Direct Imaging of Transient Fano Resonances in N2 Using Time-, Energy-, and Angular-Resolved Photoelectron Spectroscopy

    NASA Astrophysics Data System (ADS)

    Eckstein, Martin; Yang, Chung-Hsin; Frassetto, Fabio; Poletto, Luca; Sansone, Giuseppe; Vrakking, Marc J. J.; Kornilov, Oleg

    2016-04-01

    Autoionizing Rydberg states of molecular N2 are studied using time-, energy-, and angular-resolved photoelectron spectroscopy. A femtosecond extreme ultraviolet pulse with a photon energy of 17.5 eV excites the resonance and a subsequent IR pulse ionizes the molecule before the autoionization takes place. The angular-resolved photoelectron spectra depend on pump-probe time delay and allow for the distinguishing of two electronic states contributing to the resonance. The lifetime of one of the contributions is determined to be 14 ±1 fs , while the lifetime of the other appears to be significantly shorter than the time resolution of the experiment. These observations suggest that the Rydberg states in this energy region are influenced by the effect of interference stabilization and merge into a complex resonance.

  18. A Monte Carlo simulation study of the effect of energy windows in computed tomography images based on an energy-resolved photon counting detector.

    PubMed

    Lee, Seung-Wan; Choi, Yu-Na; Cho, Hyo-Min; Lee, Young-Jin; Ryu, Hyun-Ju; Kim, Hee-Joung

    2012-08-01

    The energy-resolved photon counting detector provides the spectral information that can be used to generate images. The novel imaging methods, including the K-edge imaging, projection-based energy weighting imaging and image-based energy weighting imaging, are based on the energy-resolved photon counting detector and can be realized by using various energy windows or energy bins. The location and width of the energy windows or energy bins are important because these techniques generate an image using the spectral information defined by the energy windows or energy bins. In this study, the reconstructed images acquired with K-edge imaging, projection-based energy weighting imaging and image-based energy weighting imaging were simulated using the Monte Carlo simulation. The effect of energy windows or energy bins was investigated with respect to the contrast, coefficient-of-variation (COV) and contrast-to-noise ratio (CNR). The three images were compared with respect to the CNR. We modeled the x-ray computed tomography system based on the CdTe energy-resolved photon counting detector and polymethylmethacrylate phantom, which have iodine, gadolinium and blood. To acquire K-edge images, the lower energy thresholds were fixed at K-edge absorption energy of iodine and gadolinium and the energy window widths were increased from 1 to 25 bins. The energy weighting factors optimized for iodine, gadolinium and blood were calculated from 5, 10, 15, 19 and 33 energy bins. We assigned the calculated energy weighting factors to the images acquired at each energy bin. In K-edge images, the contrast and COV decreased, when the energy window width was increased. The CNR increased as a function of the energy window width and decreased above the specific energy window width. When the number of energy bins was increased from 5 to 15, the contrast increased in the projection-based energy weighting images. There is a little difference in the contrast, when the number of energy bin is

  19. Artifacts in energy dispersive x-ray spectrometry in the scanning electron microscope (II).

    PubMed

    Fiori, C E; Newbury, D E

    1980-01-01

    The quality of x-ray spectra obtained with an energy dispersive x-ray spectrometer on an electron beam instrument can be severely compromised by the presence of electromagnetic interference. Sources of electromagnetic interference include ground currents and signals generated by time-varying currents in instrument components such as scan coils. Spectrometer resolution can be degraded by the accumulation of ice and vaccum oil on critical components of the device. Operation at high electron energy can cause artifacts in spectra due to direct entry of electrons and spurious x-rays into the detector. Processing high energy photons (above 40 keV) can lead to detector saturation effects which degrade resolution and affect dead time correction. Transmission of high energy x-rays through the detector accompanied by Compton scattering can lead to a distortion of the low energy portion of the spectrum.

  20. Artifacts in energy dispersive x-ray spectrometry in the scanning electron microscope (II).

    PubMed

    Fiori, C E; Newbury, D E

    1980-01-01

    The quality of x-ray spectra obtained with an energy dispersive x-ray spectrometer on an electron beam instrument can be severely compromised by the presence of electromagnetic interference. Sources of electromagnetic interference include ground currents and signals generated by time-varying currents in instrument components such as scan coils. Spectrometer resolution can be degraded by the accumulation of ice and vaccum oil on critical components of the device. Operation at high electron energy can cause artifacts in spectra due to direct entry of electrons and spurious x-rays into the detector. Processing high energy photons (above 40 keV) can lead to detector saturation effects which degrade resolution and affect dead time correction. Transmission of high energy x-rays through the detector accompanied by Compton scattering can lead to a distortion of the low energy portion of the spectrum. PMID:7423119

  1. X-ray reflectivity measurements of surface roughness using energy dispersive detection

    SciTech Connect

    Chason, E.; Warwick, D.T.

    1990-01-01

    We describe a new technique for measuring x-ray reflectivity using energy dispersive x-ray detection. The benefits of this method are the use of a fixed scattering angle and parallel detection of all energies simultaneously. These advantages make the technique more readily useable with laboratory x-ray sources and more compatible with growth chambers. We find excellent agreement between the calculated Fresnel reflectivity and the reflectivity obtained from a smooth Ge (001) surface. Reflectivities obtained during 500 eV Xe ion bombardment of Ge surfaces demonstrate the sensitivity of the technique to be better than 1 {angstrom}. 9 refs., 4 figs.

  2. Application of decision tree algorithm for identification of rock forming minerals using energy dispersive spectrometry

    NASA Astrophysics Data System (ADS)

    Akkaş, Efe; Çubukçu, H. Evren; Artuner, Harun

    2014-05-01

    Rapid and automated mineral identification is compulsory in certain applications concerning natural rocks. Among all microscopic and spectrometric methods, energy dispersive X-ray spectrometers (EDS) integrated with scanning electron microscopes produce rapid information with reliable chemical data. Although obtaining elemental data with EDS analyses is fast and easy by the help of improving technology, it is rather challenging to perform accurate and rapid identification considering the large quantity of minerals in a rock sample with varying dimensions ranging between nanometer to centimeter. Furthermore, the physical properties of the specimen (roughness, thickness, electrical conductivity, position in the instrument etc.) and the incident electron beam (accelerating voltage, beam current, spot size etc.) control the produced characteristic X-ray, which in turn affect the elemental analyses. In order to minimize the effects of these physical constraints and develop an automated mineral identification system, a rule induction paradigm has been applied to energy dispersive spectral data. Decision tree classifiers divide training data sets into subclasses using generated rules or decisions and thereby it produces classification or recognition associated with these data sets. A number of thinsections prepared from rock samples with suitable mineralogy have been investigated and a preliminary 12 distinct mineral groups (olivine, orthopyroxene, clinopyroxene, apatite, amphibole, plagioclase, K- feldspar, zircon, magnetite, titanomagnetite, biotite, quartz), comprised mostly of silicates and oxides, have been selected. Energy dispersive spectral data for each group, consisting of 240 reference and 200 test analyses, have been acquired under various, non-standard, physical and electrical conditions. The reference X-Ray data have been used to assign the spectral distribution of elements to the specified mineral groups. Consequently, the test data have been analyzed using

  3. SU-E-I-77: A Noise Reduction Technique for Energy-Resolved Photon-Counting Detectors

    SciTech Connect

    Lam Ng, A; Ding, H; Cho, H; Molloi, S

    2014-06-01

    Purpose: Finding the optimal energy threshold setting for an energy-resolved photon-counting detector has an important impact on the maximization of contrast-to-noise-ratio (CNR). We introduce a noise reduction method to enhance CNR by reducing the noise in each energy bin without altering the average gray levels in the projection and image domains. Methods: We simulated a four bin energy-resolved photon-counting detector based on Si with a 10 mm depth of interaction. TASMIP algorithm was used to simulate a spectrum of 65 kVp with 2.7 mm Al filter. A 13 mm PMMA phantom with hydroxyapatite and iodine at different concentrations (100, 200 and 300 mg/ml for HA, and 2, 4, and 8 mg/ml for Iodine) was used. Projection-based and Image-based energy weighting methods were used to generate weighted images. A reference low noise image was used for noise reduction purposes. A Gaussian-like weighting function which computes the similarity between pixels of interest was calculated from the reference image and implemented on a pixel by pixel basis for the noisy images. Results: CNR improvement compared to different methods (Charge-Integrated, Photon-Counting and Energy-Weighting) and after noise reduction was highly task-dependent. The CNR improvement with respect to the Charge-Integrated CNR for hydroxyapatite and iodine were 1.8 and 1.5, respectively. In each of the energy bins, the noise was reduced by approximately factor of two without altering their respective average gray levels. Conclusion: The proposed noise reduction technique for energy-resolved photon-counting detectors can significantly reduce image noise. This technique can be used as a compliment to the current energy-weighting methods in CNR optimization.

  4. Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models

    NASA Astrophysics Data System (ADS)

    Sundararaman, Ravishankar; Gunceler, Deniz; Arias, T. A.

    2014-10-01

    Continuum solvation models enable efficient first principles calculations of chemical reactions in solution, but require extensive parametrization and fitting for each solvent and class of solute systems. Here, we examine the assumptions of continuum solvation models in detail and replace empirical terms with physical models in order to construct a minimally-empirical solvation model. Specifically, we derive solvent radii from the nonlocal dielectric response of the solvent from ab initio calculations, construct a closed-form and parameter-free weighted-density approximation for the free energy of the cavity formation, and employ a pair-potential approximation for the dispersion energy. We show that the resulting model with a single solvent-independent parameter: the electron density threshold (nc), and a single solvent-dependent parameter: the dispersion scale factor (s6), reproduces solvation energies of organic molecules in water, chloroform, and carbon tetrachloride with RMS errors of 1.1, 0.6 and 0.5 kcal/mol, respectively. We additionally show that fitting the solvent-dependent s6 parameter to the solvation energy of a single non-polar molecule does not substantially increase these errors. Parametrization of this model for other solvents, therefore, requires minimal effort and is possible without extensive databases of experimental solvation free energies.

  5. Weighted-density functionals for cavity formation and dispersion energies in continuum solvation models

    SciTech Connect

    Sundararaman, Ravishankar; Gunceler, Deniz; Arias, T. A.

    2014-10-07

    Continuum solvation models enable efficient first principles calculations of chemical reactions in solution, but require extensive parametrization and fitting for each solvent and class of solute systems. Here, we examine the assumptions of continuum solvation models in detail and replace empirical terms with physical models in order to construct a minimally-empirical solvation model. Specifically, we derive solvent radii from the nonlocal dielectric response of the solvent from ab initio calculations, construct a closed-form and parameter-free weighted-density approximation for the free energy of the cavity formation, and employ a pair-potential approximation for the dispersion energy. We show that the resulting model with a single solvent-independent parameter: the electron density threshold (n{sub c}), and a single solvent-dependent parameter: the dispersion scale factor (s{sub 6}), reproduces solvation energies of organic molecules in water, chloroform, and carbon tetrachloride with RMS errors of 1.1, 0.6 and 0.5 kcal/mol, respectively. We additionally show that fitting the solvent-dependent s{sub 6} parameter to the solvation energy of a single non-polar molecule does not substantially increase these errors. Parametrization of this model for other solvents, therefore, requires minimal effort and is possible without extensive databases of experimental solvation free energies.

  6. Quantification of raindrop kinetic energy for improved prediction of splash-dispersed pathogens.

    PubMed

    Lovell, D J; Parker, S R; Van Peteghem, P; Webb, D A; Welham, S J

    2002-05-01

    ABSTRACT An electronic sensor, based on a piezoelectric transducer, was tested in the laboratory using simulated raindrops, and in natural rainfall. Data were also collected for splash dispersal using tracer dyes in laboratory experiments and the Long Ashton splashmeter in field experiments. Droplets impacting on sensor produce sound waves that are detected by an omnidirectional microphone sealed within an acoustic chamber. An electrical charge, proportional to the sound wave, is produced by the microphone and is converted to a categorical scale and then stored to provide an accumulation of impacts over a specified period of time. Calibration of the sensor was done using single-droplet impacts of known mass and impacting velocity. A linear relationship was shown between the categorical scale and the kinetic energy of impacting droplets (adjusted r(2) = 0.99). The best relationship fitted between splash dispersal from dye cup, and kinetic energy was a second-order polynomial (adjusted r(2) > 0.99). Splash height, recorded by the Long Ashton splashmeter during 41 natural rainfall events, was correlated closely with sensor output (adjusted r(2) = 0.87). Our studies indicate that the sensor provides quantitative data which could be incorporated into disease management systems to provide estimates of inoculum dispersal gradients within crop canopies.

  7. The elastic modulus correction term in creep activation energies Applied to oxide dispersion strengthened superalloy

    NASA Technical Reports Server (NTRS)

    Malu, M.; Tien, J. K.

    1975-01-01

    The effect of elastic modulus and the temperature dependence of elastic modulus on creep activation energies for an oxide dispersion strengthened nickel-base superalloy are investigated. This superalloy is commercially known as Inconel Alloy MA 753, strengthened both by gamma-prime precipitates and by yttria particles. It is shown that at intermediate temperatures, say below 1500 F, where elastic modulus is weakly dependent on temperature, the modulus correction term to creep activation energy is small. Accordingly, modulus corrections are insignificant for the superalloy considered, which shows high apparent creep activation energies at this temperature. On the contrary, at very high temperatures, the elastic modulus correction term can be significant, thus reducing the creep activation energy to that of vacancy self-diffusion. In order to obtain high-temperature creep resistance, a high-value elastic modulus with a weak dependence on temperature is required.

  8. Method to compensate the dispersion of kinetic energy resolution in a velocity map imaging spectrometer

    NASA Astrophysics Data System (ADS)

    Zhang, Peng; Lan, Pengfei; Feng, Zhengpeng; Zhang, Qingbin; Lu, Peixiang

    2014-10-01

    Here we present a novel method to improve the kinetic energy resolution of a velocity map imaging(VMI) spectrometer. The main modifications, compared to the original design of Eppink and Parker (1997 Rev. Sci. Instrum. 68 3477), are two additional grid electrodes. One of the electrodes is a grounded grid and the other is an arc-shaped grid with negative voltages (or positive voltages for an ions spectrometer). The arc-shaped electrode is axially symmetrical around the spectrometer axis. The field constructed by the two electrodes is to compensate the dispersion of the ‘v’-shaped energy resolution. Simulations by SIMION and reconstructions by the basis set expansion Abel transform method show that the kinetic energy resolution can be improved drastically by our new method. Furthermore, the accuracy in the determination of the kinetic energy of ion/electrons remains unchanged with respect to the original design.

  9. Energy Efficienct Processes for Making Tackifier Dispersions used to make Pressure Sensitive Adhesives

    SciTech Connect

    Rakesh Gupta

    2006-07-26

    The primary objective of this project was to develop an energy efficient, environmentally friendly and low cost process (compared to the current process) for making tackifier dispersions that are used to make pressure-sensitive adhesives. These adhesives are employed in applications such as self-adhesive postage stamps and disposable diapers and are made by combining the tackifier dispersion with a natural or synthetic rubber latex. The current process for tackifier dispersion manufacture begins by melting a (plastic) resin and adding water to it in order to form a water-in-oil emulsion. This is then converted to an oil-in-water emulsion by phase inversion in the presence of continuous stirring. The resulting emulsion is the tackifier dispersion, but it is not concentrated and the remaining excess water has to be transported and removed. The main barrier that has to be overcome in the development of commercial quality tackifier dispersions is the inability to directly emulsify resin in water due to the very low viscosity of water as compared to the viscosity of the molten resin. In the present research, a number of solutions were proposed to overcome this barrier, and these included use of different mixer types to directly form the emulsion from the molten resin but without going through a phase inversion, the idea of forming a solid resin-in-water suspension having the correct size and size distribution but without melting of the resin, and the development of techniques of making a colloidal powder of the resin that could be dispersed in water just prior to use. Progress was made on each of these approaches, and each was found to be feasible. The most appealing solution, though, is the last one, since it does not require melting of the resin. Also, the powder can be shipped in dry form and then mixed with water in any proportion depending on the needs of the process. This research was conducted at Argonne National Laboratory, and it was determined the new process

  10. Characterization of high energy Xe ion irradiation effects in single crystal molybdenum with depth-resolved synchrotron microbeam diffraction

    NASA Astrophysics Data System (ADS)

    Yun, Di; Miao, Yinbin; Xu, Ruqing; Mei, Zhigang; Mo, Kun; Mohamed, Walid; Ye, Bei; Pellin, Michael J.; Yacout, Abdellatif M.

    2016-04-01

    Microbeam X-ray diffraction experiments were conducted at beam line 34-ID of the Advanced Photon Source (APS) on fission fragment energy Xe heavy ion irradiated single crystal Molybdenum (Mo). Lattice strain measurements were obtained with a depth resolution of 0.7 μm, which is critical in resolving the peculiar heterogeneity of irradiation damage associated with heavy ion irradiation. Q-space diffraction peak shift measurements were correlated with lattice strain induced by the ion irradiations. Transmission electron microscopy (TEM) characterizations were performed on the as-irradiated materials as well. Nanometer sized Xe bubble microstructures were observed via TEM. Molecular Dynamics (MD) simulations were performed to help interpret the lattice strain measurement results from the experiment. This study showed that the irradiation effects by fission fragment energy Xe ion irradiations can be collaboratively understood with the depth resolved X-ray diffraction and TEM measurements under the assistance of MD simulations.

  11. Low energy X-ray spectra measured with a mercuric iodide energy dispersive spectrometer in a scanning electron microscope

    NASA Technical Reports Server (NTRS)

    Iwanczyk, J. S.; Dabrowski, A. J.; Huth, G. C.; Bradley, J. G.; Conley, J. M.

    1986-01-01

    A mercuric iodide energy dispersive X-ray spectrometer, with Peltier cooling provided for the detector and input field effect transistor, has been developed and tested in a scanning electron microscope. X-ray spectra were obtained with the 15 keV electron beam. An energy resolution of 225 eV (FWHM) for Mn-K(alpha) at 5.9 keV and 195 eV (FWHM) for the Mg-K line at 1.25 keV has been measured. Overall system noise level was 175 eV (FWHM). The detector system characterization with a carbon target demonstrated good energy sensitivity at low energies and lack of significant spectral artifacts at higher energies.

  12. Determination of selenium in biological samples with an energy-dispersive X-ray fluorescence spectrometer.

    PubMed

    Li, Xiaoli; Yu, Zhaoshui

    2016-05-01

    Selenium is both a nutrient and a toxin. Selenium-especially organic selenium-is a core component of human nutrition. Thus, it is very important to measure selenium in biological samples. The limited sensitivity of conventional XRF hampers its widespread use in biological samples. Here, we describe the use of high-energy (100kV, 600W) linearly polarized beam energy-dispersive X-Ray fluorescence spectroscopy (EDXRF) in tandem with a three-dimensional optics design to determine 0.1-5.1μgg(-1) levels of selenium in biological samples. The effects of various experimental parameters such as applied voltage, acquisition time, secondary target and various filters were thoroughly investigated. The detection limit of selenium in biological samples via high-energy (100kV, 600W) linearly polarized beam energy-dispersive X-ray fluorescence spectroscopy was decreased by one order of magnitude versus conventional XRF (Paltridge et al., 2012) and found to be 0.1μg/g. To the best of our knowledge, this is the first report to describe EDXRF measurements of Se in biological samples with important implications for the nutrition and analytical chemistry communities. PMID:26922394

  13. [Application of the racial algorithm in energy dispersive X-ray fluorescence overlapped spectrum analysis].

    PubMed

    Zeng, Guo-Qiang; Luo, Yao-Yao; Ge, Liang-Quan; Zhang, Qing-Xian; Gu, Yi; Cheng, Feng

    2014-02-01

    In the energy dispersive X-ray fluorescence spectrum analysis, scintillation detector such as NaI (Tl) detector usually has a low energy resolution at around 8%. The low energy resolution causes problems in spectral data analysis especially in the high background and low counts condition, it is very limited to strip the overlapped spectrum, and the more overlapping the peaks are, the more difficult to peel the peaks, and the qualitative and quantitative analysis can't be carried out because we can't recognize the peak address and peak area. Based on genetic algorithm and immune algorithm, we build a new racial algorithm which uses the Euclidean distance as the judgment of evolution, the maximum relative error as the iterative criterion to be put into overlapped spectrum analysis, then we use the Gaussian function to simulate different overlapping degrees of the spectrum, and the racial algorithm is used in overlapped peak separation and full spectrum simulation, the peak address deviation is in +/- 3 channels, the peak area deviation is no more than 5%, and it is proven that this method has a good effect in energy dispersive X-ray fluorescence overlapped spectrum analysis.

  14. Decoupling the contribution of dispersive and acid-base components of surface energy on the cohesion of pharmaceutical powders.

    PubMed

    Shah, Umang V; Olusanmi, Dolapo; Narang, Ajit S; Hussain, Munir A; Tobyn, Michael J; Heng, Jerry Y Y

    2014-11-20

    This study reports an experimental approach to determine the contribution from two different components of surface energy on cohesion. A method to tailor the surface chemistry of mefenamic acid via silanization is established and the role of surface energy on cohesion is investigated. Silanization was used as a method to functionalize mefenamic acid surfaces with four different functional end groups resulting in an ascending order of the dispersive component of surface energy. Furthermore, four haloalkane functional end groups were grafted on to the surface of mefenamic acid, resulting in varying levels of acid-base component of surface energy, while maintaining constant dispersive component of surface energy. A proportional increase in cohesion was observed with increases in both dispersive as well as acid-base components of surface energy. Contributions from dispersive and acid-base surface energy on cohesion were determined using an iterative approach. Due to the contribution from acid-base surface energy, cohesion was found to increase ∼11.7× compared to the contribution from dispersive surface energy. Here, we provide an approach to deconvolute the contribution from two different components of surface energy on cohesion, which has the potential of predicting powder flow behavior and ultimately controlling powder cohesion.

  15. The velocity dispersion profile of NGC 6388 from resolved-star spectroscopy: No evidence of a central cusp and new constraints on the black hole mass

    SciTech Connect

    Lanzoni, B.; Mucciarelli, A.; Ferraro, F. R.; Miocchi, P.; Dalessandro, E.; Pallanca, C.; Massari, D.; Valenti, E.

    2013-06-01

    By combining high spatial resolution and wide-field spectroscopy performed, respectively, with SINFONI and FLAMES at the ESO/VLT we measured the radial velocities of more than 600 stars in the direction of NGC 6388, a Galactic globular cluster which is suspected to host an intermediate-mass black hole. Approximately 55% of the observed targets turned out to be cluster members. The cluster velocity dispersion has been derived from the radial velocity of individual stars: 52 measurements in the innermost 2'', and 276 stars located between 18'' and 600''. The velocity dispersion profile shows a central value of ∼13 km s{sup –1}, a flat behavior out to ∼60'' and a decreasing trend outward. The comparison with spherical and isotropic models shows that the observed density and velocity dispersion profiles are inconsistent with the presence of a central black hole more massive than ∼2000 M {sub ☉}. These findings are at odds with recent results obtained from integrated light spectra, showing a velocity dispersion profile with a steep central cusp of 23-25 km s{sup –1} at r < 2'' and suggesting the presence of a black hole with a mass of ∼1.7 × 10{sup 4} M {sub ☉}. We also found some evidence of systemic rotation with amplitude A {sub rot} ∼ 8 km s{sup –1} in the innermost 2'' (0.13 pc), decreasing to A {sub rot} = 3.2 km s{sup –1} at 18'' < r < 160''.

  16. Thermally induced dispersion mechanisms for aluminum-based plate-type fuels under rapid transient energy deposition

    SciTech Connect

    Georgevich, V.; Taleyarkham, R.P.; Navarro-Valenti, S.; Kim, S.H.

    1995-12-31

    A thermally induced dispersion model was developed to analyze for dispersive potential and determine onset of fuel plate dispersion for Al-based research and test reactor fuels. Effect of rapid energy deposition in a fuel plate was simulated. Several data types for Al-based fuels tested in the Nuclear Safety Research Reactor in Japan and in the Transient Reactor Test in Idaho were reviewed. Analyses of experiments show that onset of fuel dispersion is linked to a sharp rise in predicted strain rate, which futher coincides with onset of Al vaporization. Analysis also shows that Al oxidation and exothermal chemical reaction between the fuel and Al can significantly affect the energy deposition characteristics, and therefore dispersion onset connected with Al vaporization, and affect onset of vaporization.

  17. Influence of gravity level and interfacial energies on dispersion-forming tendencies in hypermonotectic Cu-Pb-Al alloys

    NASA Technical Reports Server (NTRS)

    Andrews, J. B.; Curreri, P. A.; Sandlin, A. C.

    1988-01-01

    Results on the nondirectional solidification of several hypermonotectic Cu-Pb-Al alloys were obtained aboard NASA's KC-135 zero-gravity aircraft in order to determine the influence of interfacial energies and gravity levels on dispersion-forming tendencies. The Al content was systematially varied in the alloys. The dispersion-forming ability is correlated with gravity level during solidification, the interfacial energy between the immiscible phases, and the tendency for the minority immiscible phase to wet the walls of the crucible.

  18. Energy transfer in the chlorophyll f-containing cyanobacterium, Halomicronema hongdechloris, analyzed by time-resolved fluorescence spectroscopies.

    PubMed

    Akimoto, Seiji; Shinoda, Toshiyuki; Chen, Min; Allakhverdiev, Suleyman I; Tomo, Tatsuya

    2015-08-01

    We prepared thylakoid membranes from Halomicronema hongdechloris cells grown under white fluorescent light or light from far-red (740 nm) light-emitting diodes, and observed their energy-transfer processes shortly after light excitation. Excitation-relaxation processes were examined by steady-state and time-resolved fluorescence spectroscopies. Two time-resolved fluorescence techniques were used: time-correlated single photon counting and fluorescence up-conversion methods. The thylakoids from the cells grown under white light contained chlorophyll (Chl) a of different energies, but were devoid of Chl f. At room temperature, the excitation energy was equilibrated among the Chl a pools with a time constant of 6.6 ps. Conversely, the thylakoids from the cells grown under far-red light possessed both Chl a and Chl f. Two energy-transfer pathways from Chl a to Chl f were identified with time constants of 1.3 and 5.0 ps, and the excitation energy was equilibrated between the Chl a and Chl f pools at room temperature. We also examined the energy-transfer pathways from phycobilisome to the two photosystems under white-light cultivation.

  19. Energy Dispersive X-Ray and Electrochemical Impedance Spectroscopies for Performance and Corrosion Analysis of PEMWEs

    NASA Astrophysics Data System (ADS)

    Steen, S. M., Iii; Zhang, F.-Y.

    2014-11-01

    Proton exchange membrane water electrolyzers (PEMWEs) are a promising energy storage technology due to their high efficiency, compact design, and ability to be used in a renewable energy system. Before they are able to make a large commercial impact, there are several hurdles facing the technology today. Two powerful techniques for both in-situ and ex- situ characterizations to improve upon their performance and better understand their corrosion are electrochemical impedance spectroscopy and energy dispersive x-ray spectroscopy, respectively. In this paper, the authors use both methods in order to characterize the anode gas diffusion layer (GDL) in a PEMWE cell and better understand the corrosion that occurs in the oxygen electrode during electrolysis.

  20. Electron inelastic mean free path theory and density functional theory resolving discrepancies for low-energy electrons in copper.

    PubMed

    Chantler, C T; Bourke, J D

    2014-02-01

    We develop the many-pole dielectric theory of UV plasmon interactions and electron energy losses, and couple our advances with recent developments of Kohn-Sham density functional theory to address observed discrepancies between high-precision measurements and tabulated data for electron inelastic mean free paths (IMFPs). Recent publications have demonstrated that a five standard error difference exists between longstanding theoretical calculations and measurements of electron IMFPs for elemental solids at energies below 120 eV, a critical region for analysis of electron energy loss spectroscopy (EELS), X-ray absorption spectroscopy (XAS), and related technologies. Our implementation of improved optical loss spectra and a physical treatment of second-order excitation lifetimes resolves this problem in copper for the first time for energies in excess of 80 eV and substantially improves agreement for lower energy electrons.

  1. Distinction between entrance and exit wounds by energy dispersive X-ray fluorescence spectrometry.

    PubMed

    Tanaka, Naoko; Kinoshita, Hiroshi; Takakura, Ayaka; Jamal, Mostofa; Ito, Asuka; Kumihashi, Mitsuru; Tsutsui, Kunihiko; Kimura, Shoji; Ameno, Kiyoshi

    2016-09-01

    We investigated gunshot wounds in two autopsy cases using energy dispersive X-ray spectrometry (EDX). Lead and copper were detected in the entrance wound of one case and lead, antimony, and copper were detected in that of the other case. In the exit wounds of both cases, lead, antimony, and copper were below detection limits. These findings indicate that the detection of metallic elements, such as lead, antimony, and copper, which are found in bullets, may be useful for differentiating entrance from exit wounds using EDX. PMID:27591531

  2. Determination of carrier yields for neutron activation analysis using energy dispersive X-ray spectrometry

    USGS Publications Warehouse

    Johnson, R.G.; Wandless, G.A.

    1984-01-01

    A new method is described for determining carrier yield in the radiochemical neutron activation analysis of rare-earth elements in silicate rocks by group separation. The method involves the determination of the rare-earth elements present in the carrier by means of energy-dispersive X-ray fluorescence analysis, eliminating the need to re-irradiate samples in a nuclear reactor after the gamma ray analysis is complete. Results from the analysis of USGS standards AGV-1 and BCR-1 compare favorably with those obtained using the conventional method. ?? 1984 Akade??miai Kiado??.

  3. Processing and quantification of x-ray energy dispersive spectra in the Analytical Electron Microscope

    SciTech Connect

    Zaluzec, N.J.

    1988-08-01

    Spectral processing in x-ray energy dispersive spectroscopy deals with the extraction of characteristic signals from experimental data. In this text, the four basic procedures for this methodology are reviewed and their limitations outlined. Quantification, on the other hand, deals with the interpretation of the information obtained from spectral processing. Here the limitations are for the most part instrumental in nature. The prospects of higher voltage operation does not, in theory, present any new problems and may in fact prove to be more desirable assuming that electron damage effects do not preclude analysis. 28 refs., 6 figs.

  4. Quantitative analysis of annealed scanning probe tips using energy dispersive x-ray spectroscopy

    SciTech Connect

    Cobley, R. J.; Brown, R. A.; Barnett, C. J.; Maffeis, T. G. G.; Penny, M. W.

    2013-01-14

    A quantitative method to measure the reduction in oxide species on the surface of electrochemically etched tungsten tips during direct current annealing is developed using energy dispersive x-ray spectroscopy. Oxide species are found to decrease with annealing current, with the trend repeatable over many tips and along the length of the tip apex. A linear resistivity approximation finds significant oxide sublimation occurs at 1714 K, but surface melting and tip broadening at 2215 K. This method can be applied to calibrate any similar annealing stage, and to identify the tradeoff regime between required morphological and chemical properties.

  5. A comparison of energy-resolved vibrational activation/dissociation characteristics of protonated and sodiated high mannose N-glycopeptides.

    PubMed

    Aboufazeli, Forouzan; Kolli, Venkata; Dodds, Eric D

    2015-04-01

    Fragmentation of glycopeptides in tandem mass spectrometry (MS/MS) plays a pivotal role in site-specific protein glycosylation profiling by allowing specific oligosaccharide compositions and connectivities to be associated with specific loci on the corresponding protein. Although MS/MS analysis of glycopeptides has been successfully performed using a number of distinct ion dissociation methods, relatively little is known regarding the fragmentation characteristics of glycopeptide ions with various charge carriers. In this study, energy-resolved vibrational activation/dissociation was examined via collision-induced dissociation for a group of related high mannose tryptic glycopeptides as their doubly protonated, doubly sodiated, and hybrid protonated sodium adduct ions. The doubly protonated glycopeptide ions with various compositions were found to undergo fragmentation over a relatively low but wide range of collision energies compared with the doubly sodiated and hybrid charged ions, and were found to yield both glycan and peptide fragmentation depending on the applied collision energy. By contrast, the various doubly sodiated glycopeptides were found to dissociate over a significantly higher but narrow range of collision energies, and exhibited only glycan cleavages. Interestingly, the hybrid protonated sodium adduct ions were consistently the most stable of the precursor ions studied, and provided fragmentation information spanning both the glycan and the peptide moieties. Taken together, these findings illustrate the influence of charge carrier over the energy-resolved vibrational activation/dissociation characteristics of glycopeptides, and serve to suggest potential strategies that exploit the analytically useful features uniquely afforded by specific charge carriers or combinations thereof.

  6. Gamma-to-electron magnetic spectrometer (GEMS): An energy-resolved γ-ray diagnostic for the National Ignition Facilitya)

    NASA Astrophysics Data System (ADS)

    Kim, Y.; Herrmann, H. W.; Hilsabeck, T. J.; Moy, K.; Stoeffl, W.; Mack, J. M.; Young, C. S.; Wu, W.; Barlow, D. B.; Schillig, J. B.; Sims, J. R.; Lopez, F. E.; Mares, D.; Oertel, J. A.; Hayes-Sterbenz, A. C.

    2012-10-01

    The gamma-to-electron magnetic spectrometer, having better than 5% energy resolution, is proposed to resolve γ-rays in the range of Eo ± 20% in single shot, where Eo is the central energy and is tunable from 2 to 25 MeV. Gamma-rays from inertial confinement fusion implosions interact with a thin Compton converter (e.g., beryllium) located at approximately 300 cm from the target chamber center (TCC). Scattered electrons out of the Compton converter enter an electromagnet placed outside the NIF chamber (approximately 600 cm from TCC) where energy selection takes place. The electromagnet provides tunable Eo over a broad range in a compact manner. Energy resolved electrons are measured by an array of quartz Cherenkov converters coupled to photomultipliers. Given 100 detectable electrons in the energy bins of interest, 3 × 1014 minimum deuterium/tritium (DT) neutrons will be required to measure the 4.44 MeV 12C γ-rays assuming 200 mg/cm2 plastic ablator areal density and 3 × 1015 minimum DT neutrons to measure the 16.75 MeV DT γ-ray line.

  7. Gamma-to-electron magnetic spectrometer (GEMS): An energy-resolved {gamma}-ray diagnostic for the National Ignition Facility

    SciTech Connect

    Kim, Y.; Herrmann, H. W.; Mack, J. M.; Young, C. S.; Barlow, D. B.; Schillig, J. B.; Sims, J. R. Jr.; Lopez, F. E.; Mares, D.; Oertel, J. A.; Hayes-Sterbenz, A. C.; Hilsabeck, T. J.; Wu, W.; Moy, K.; Stoeffl, W.

    2012-10-15

    The gamma-to-electron magnetic spectrometer, having better than 5% energy resolution, is proposed to resolve {gamma}-rays in the range of E{sub o}{+-} 20% in single shot, where E{sub o} is the central energy and is tunable from 2 to 25 MeV. Gamma-rays from inertial confinement fusion implosions interact with a thin Compton converter (e.g., beryllium) located at approximately 300 cm from the target chamber center (TCC). Scattered electrons out of the Compton converter enter an electromagnet placed outside the NIF chamber (approximately 600 cm from TCC) where energy selection takes place. The electromagnet provides tunable E{sub o} over a broad range in a compact manner. Energy resolved electrons are measured by an array of quartz Cherenkov converters coupled to photomultipliers. Given 100 detectable electrons in the energy bins of interest, 3 Multiplication-Sign 10{sup 14} minimum deuterium/tritium (DT) neutrons will be required to measure the 4.44 MeV {sup 12}C {gamma}-rays assuming 200 mg/cm{sup 2} plastic ablator areal density and 3 Multiplication-Sign 10{sup 15} minimum DT neutrons to measure the 16.75 MeV DT {gamma}-ray line.

  8. ChromAIX: a high-rate energy-resolving photon-counting ASIC for spectal computed tomography

    NASA Astrophysics Data System (ADS)

    Steadman, Roger; Herrmann, Christoph; Mülhens, Oliver; Maeding, Dale G.; Colley, James; Firlit, Ted; Luhta, Randy; Chappo, Marc; Harwood, Brian; Kosty, Doug

    2010-04-01

    In Computed Tomography applications a major opportunity has been identified in the exploitation of the spectral information inherently available due to the polychromatic emission of the X-ray tube. Current CT technology based on indirect-conversion and integrating-mode detection can be used to some extent to distinguish the two predominant physical causes of energy-dependent attenuation (photo-electric effect and Compton effect) by using dual-energy techniques, e.g. kVp switching, dual-source or detector stacking. Further improvements can be achieved by transitioning to direct-conversion technologies and counting-mode detection, which inherently exhibits a better signal-to-noise ratio. Further including energy discrimination, enables new applications, which are not feasible with dual-energy techniques, e.g. the possibility to discriminate K-edge features (contrast agents, e.g. Gadolinium) from the other contributions to the x-ray attenuation of a human body. The capability of providing energy-resolved information with more than two different measurements is referred to as Spectral CT. To study the feasibility of Spectral CT, an energy-resolving proprietary photon counting ASIC (ChromAIX) has been designed to provide high count-rate capabilities while offering energy discrimination. The ChromAIX ASIC consists of an arrangement of 4 by 16 pixels with an isotropic pitch of 300 μm. Each pixel contains a number of independent energy discriminators with their corresponding 12-bit counters with continuous read-out capability. Observed Poissonian count-rates exceeding 10 Mcps (corresponding to approximately 27 Mcps incident mean Poisson rate) have been experimentally validated through electrical characterization. The measured noise of 2.6 mVRMS (4 keV FWHM) adheres to specifications. The ChromAIX ASIC has been specifically designed to support direct-converting materials CdZnTe and CdTe.

  9. Quantitative energy-dispersive x-ray diffraction for identification of counterfeit medicines: a preliminary study

    NASA Astrophysics Data System (ADS)

    Crews, Chiaki C. E.; O'Flynn, Daniel; Sidebottom, Aiden; Speller, Robert D.

    2015-06-01

    The prevalence of counterfeit and substandard medicines has been growing rapidly over the past decade, and fast, nondestructive techniques for their detection are urgently needed to counter this trend. In this study, energy-dispersive X-ray diffraction (EDXRD) combined with chemometrics was assessed for its effectiveness in quantitative analysis of compressed powder mixtures. Although EDXRD produces lower-resolution diffraction patterns than angular-dispersive X-ray diffraction (ADXRD), it is of interest for this application as it carries the advantage of allowing the analysis of tablets within their packaging, due to the higher energy X-rays used. A series of caffeine, paracetamol and microcrystalline cellulose mixtures were prepared with compositions between 0 - 100 weight% in 20 weight% steps (22 samples in total, including a centroid mixture), and were pressed into tablets. EDXRD spectra were collected in triplicate, and a principal component analysis (PCA) separated these into their correct positions in the ternary mixture design. A partial least-squares (PLS) regression model calibrated using this training set was validated using both segmented cross-validation, and with a test set of six samples (mixtures in 8:1:1 and 5⅓:2⅓:2⅓ ratios) - the latter giving a root-mean square error of prediction (RMSEP) of 1.30, 2.25 and 2.03 weight% for caffeine, paracetamol and cellulose respectively. These initial results are promising, with RMSEP values on a par with those reported in the ADXRD literature.

  10. Practical applications of energy dispersive X-ray microanalysis in diagnostic oral pathology

    SciTech Connect

    Daley, T.D.; Gibson, D. )

    1990-03-01

    Energy dispersive X-ray microanalysis is a powerful tool that can reveal the presence and relative quantities of elements in minute particles in biologic materials. Although this technique has been used in some aspects of dental research, it has rarely been applied to diagnostic oral pathology. The purpose of this paper is to inform practicing dentists and oral specialists about the diagnostic potential of this procedure by presenting three case reports. The first case involved the identification of flakes of a metallic material claimed by a 14-year-old girl to appear periodically between her mandibular molars. In the second case, a periodontist was spared a lawsuit when a freely mobile mass in the antrum of his patient was found to be a calcium-phosphorus compound not related to the periodontal packing that had been used. The third case involved the differential diagnosis of amalgam tattoo and graphite tattoo in a pigmented lesion of the hard palate mucosa. The results of the analyses were significant and indicate a role for this technique in the assessment of selected cases. Potential for wider use of energy dispersive X-ray microanalysis in diagnostic oral pathology exists as research progresses.

  11. Alternating magnetic field energy absorption in the dispersion of iron oxide nanoparticles in a viscous medium

    NASA Astrophysics Data System (ADS)

    Smolkova, Ilona S.; Kazantseva, Natalia E.; Babayan, Vladimir; Smolka, Petr; Parmar, Harshida; Vilcakova, Jarmila; Schneeweiss, Oldrich; Pizurova, Nadezda

    2015-01-01

    Magnetic iron oxide nanoparticles were obtained by a coprecipitation method in a controlled growth process leading to the formation of uniform highly crystalline nanoparticles with average size of 13 nm, which corresponds to the superparamagnetic state. Nanoparticles obtained are a mixture of single-phase nanoparticles of magnetite and maghemite as well as nanoparticles of non-stoichiometric magnetite. The subsequent annealing of nanoparticles at 300 °C in air during 6 h leads to the full transformation to maghemite. It results in reduced value of the saturation magnetization (from 56 emu g-1 to 48 emu g-1) but does not affect the heating ability of nanoparticles. A 2-7 wt% dispersion of as-prepared and annealed nanoparticles in glycerol provides high heating rate in alternating magnetic fields allowed for application in magnetic hyperthermia; however the value of specific loss power does not exceed 30 W g-1. This feature of heat output is explained by the combined effect of magnetic interparticle interactions and the properties of the carrier medium. Nanoparticles coalesce during the synthesis and form aggregates showing ferromagnetic-like behavior with magnetization hysteresis, distinct sextets on Mössbauer spectrum, blocking temperature well about room temperature, which accounts for the higher energy barrier for magnetization reversal. At the same time, low specific heat capacity of glycerol intensifies heat transfer in the magnetic dispersion. However, high viscosity of glycerol limits the specific loss power value, since predominantly the Neel relaxation accounts for the absorption of AC magnetic field energy.

  12. The H + OCS hot atom reaction - CO state distributions and translational energy from time-resolved infrared absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Nickolaisen, Scott L.; Cartland, Harry E.

    1993-01-01

    Time-resolved infrared diode laser spectroscopy has been used to probe CO internal and translational excitation from the reaction of hot H atoms with OCS. Product distributions should be strongly biased toward the maximum 1.4 eV collision energy obtained from 278 nm pulsed photolysis of HI. Rotations and vibrations are both colder than predicted by statistical density of states theory, as evidenced by large positive surprisal parameters. The bias against rotation is stronger than that against vibration, with measurable population as high as v = 4. The average CO internal excitation is 1920/cm, accounting for only 13 percent of the available energy. Of the energy balance, time-resolved sub-Doppler line shape measurements show that more than 38 percent appears as relative translation of the separating CO and SH fragments. Studies of the relaxation kinetics indicate that some rotational energy transfer occurs on the time scale of our measurements, but the distributions do not relax sufficiently to alter our conclusions. Vibrational distributions are nascent, though vibrational relaxation of excited CO is unusually fast in the OCS bath, with rates approaching 3 percent of gas kinetic for v = 1.

  13. Fragmentation energetics for angiotensin II and its analogs from time- and energy-resolved surface-induced dissociation studies

    NASA Astrophysics Data System (ADS)

    Laskin, Julia; Bailey, Thomas H.; Futrell, Jean H.

    2004-05-01

    Surface-induced dissociation (SID) of four model peptides: DRVYIHPF, RVYIHPF, RVYIHAF, and RVYIHDF was studied using a novel Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for SID experiments. The energetics and dynamics of peptide fragmentation were deduced by modeling the time- and energy-resolved survival curves for each precursor ion using an RRKM based approach developed in our laboratory. Accurate dissociation parameters can be obtained from these experiments because collision-energy-resolved SID data are very sensitive to both the energetics and dynamics of dissociation. We found that transition from selective to non-selective fragmentation as ion kinetic energy is increased is associated with a substantial (ca. 0.5 eV) increase in the dissociation energy and a 3-4 orders of magnitude increase in the pre-exponential factor. Dissociation thresholds for angiotensin analogs derived from the experimental data are as follows: 1.62 eV for RVYIHAF and RVYIHPF, 1.14 eV for RVYIHDF and 1.13 eV for DRVYIHPF. Pre-exponential factors of 8.2×1011, 7.2×1012, 3.1×108, and 5.0×107 s-1 were obtained for RVYIHPF, RVYIHAF, RVYIHDF, and DRVYIHPF, respectively. Contribution from shattering to the total decomposition of the precursor ion increases for kinetically hindered fragmentation. The largest contribution is observed for a peptide ion that has the largest negative reaction entropy--DRVYIHPF.

  14. Coulomb Interaction Effect in Weyl Fermions with Tilted Energy Dispersion in Two Dimensions.

    PubMed

    Isobe, Hiroki; Nagaosa, Naoto

    2016-03-18

    Weyl fermions with tilted linear dispersions characterized by several different velocities appear in some systems including the quasi-two-dimensional organic semiconductor α-(BEDT-TTF)_{2}I_{3} and three-dimensional WTe_{2}. The Coulomb interaction between electrons modifies the velocities in an essential way in the low-energy limit, where the logarithmic corrections dominate. Taking into account the coupling to both the transverse and longitudinal electromagnetic fields, we derive the renormalization group equations for the velocities of the tilted Weyl fermions in two dimensions, and found that they increase as the energy decreases and eventually hit the speed of light c to result in the Cherenkov radiation. Especially, the system restores the isotropic Weyl cone even when the bare Weyl cone is strongly tilted and the velocity of electrons becomes negative in certain directions. PMID:27035318

  15. Superconducting Detector System for High-Resolution Energy-Dispersive Soft X-Ray Spectroscopy

    SciTech Connect

    Friedrich, S; Niedermayr, T; Drury, O; Funk, T; Frank, M; Labov, S E; Cramer, S

    2001-02-21

    Synchrotron-based soft x-ray spectroscopy is often limited by detector performance. Grating spectrometers have the resolution, but lack the efficiency for the analysis of dilute samples. Semiconducting Si(Li) or Ge detectors are efficient, but often lack the resolution to separate weak signals from strong nearby lines in multi-element samples. Superconducting tunnel junctions (STJs) operated at temperatures below 1 K can be used as high-resolution high-efficiency x-ray detectors. They combine high energy resolution around 10 eV FWHM with the broad band efficiency of energy-dispersive detectors. We have designed a two-stage adiabatic demagnetization refrigerator (ADR) to operate STJ detectors in x-ray fluorescence measurements at beam line 4 of the ALS. We demonstrate the capabilities of such a detector system for fluorescence analysis of dilute metal sites in proteins and inorganic model compounds.

  16. Better Resolved Low Frequency Dispersions by the Apt Use of Kramers-Kronig Relations, Differential Operators, and All-In-1 Modeling.

    PubMed

    van Turnhout, J

    2016-01-01

    The dielectric spectra of colloidal systems often contain a typical low frequency dispersion, which usually remains unnoticed, because of the presence of strong conduction losses. The KK relations offer a means for converting ε' into ε″ data. This allows us to calculate conduction free ε″ spectra in which the l.f. dispersion will show up undisturbed. This interconversion can be done on line with a moving frame of logarithmically spaced ε' data. The coefficients of the conversion frames were obtained by kernel matching and by using symbolic differential operators. Logarithmic derivatives and differences of ε' and ε″ provide another option for conduction free data analysis. These difference-based functions actually derived from approximations to the distribution function, have the additional advantage of improving the resolution power of dielectric studies. A high resolution is important because of the rich relaxation structure of colloidal suspensions. The development of all-in-1 modeling facilitates the conduction free and high resolution data analysis. This mathematical tool allows the apart-together fitting of multiple data and multiple model functions. It proved also useful to go around the KK conversion altogether. This was achieved by the combined approximating ε' and ε″ data with a complex rational fractional power function. The all-in-1 minimization turned out to be also highly useful for the dielectric modeling of a suspension with the complex dipolar coefficient. It guarantees a secure correction for the electrode polarization, so that the modeling with the help of the differences ε' and ε″ can zoom in on the genuine colloidal relaxations.

  17. Better resolved low frequency dispersions by the apt use of Kramers-Kronig relations, differential operators and all-in-1 modelling

    NASA Astrophysics Data System (ADS)

    Turnhout, Jan

    2016-05-01

    The dielectric spectra of colloidal systems often contain a typical low frequency dispersion, which usually remains unnoticed, because of the presence of strong conduction losses. The KK relations offer a means for converting ɛ' into ɛ'' data. This allows us to calculate conduction free ɛ'' spectra in which the l.f. dispersion will show up undisturbed. This interconversion can be done on line with a moving frame of logarithmically spaced ɛ' data. The coefficients of the conversion frames were obtained by kernel matching and by using symbolic differential operators. Logarithmic derivatives and differences of ɛ' and ɛ'' provide another option for conduction free data analysis. These difference-based functions actually derived from approximations to the distribution function, have the additional advantage of improving the resolution power of dielectric studies. A high resolution is important because of the rich relaxation structure of colloidal suspensions. The development of all-in-1 modelling facilitates the conduction free and high resolution data analysis. This mathematical tool allows the apart-together fitting of multiple data and multiple model functions. It proved also useful to go around the KK conversion altogether. This was achieved by the combined approximating ɛ' and ɛ'' data with a complex rational fractional power function. The all-in-1 minimization turned out to be also highly useful for the dielectric modelling of a suspension with the complex dipolar coefficient. It guarantees a secure correction for the electrode polarization, so that the modelling with the help of the differences ɛ' and ɛ'' can zoom in on the genuine colloidal relaxations.

  18. Determination of time- and height-resolved volcanic ash emissions and their use for quantitative ash dispersion modeling: the 2010 Eyjafjallajökull eruption

    NASA Astrophysics Data System (ADS)

    Stohl, A.; Prata, A. J.; Eckhardt, S.; Clarisse, L.; Durant, A.; Henne, S.; Kristiansen, N. I.; Minikin, A.; Schumann, U.; Seibert, P.; Stebel, K.; Thomas, H. E.; Thorsteinsson, T.; Tørseth, K.; Weinzierl, B.

    2011-05-01

    The April-May, 2010 volcanic eruptions of Eyjafjallajökull, Iceland caused significant economic and social disruption in Europe whilst state of the art measurements and ash dispersion forecasts were heavily criticized by the aviation industry. Here we demonstrate for the first time that large improvements can be made in quantitative predictions of the fate of volcanic ash emissions, by using an inversion scheme that couples a priori source information and the output of a Lagrangian dispersion model with satellite data to estimate the volcanic ash source strength as a function of altitude and time. From the inversion, we obtain a total fine ash emission of the eruption of 8.3 ± 4.2 Tg for particles in the size range of 2.8-28 μm diameter. We evaluate the results of our model results with a posteriori ash emissions using independent ground-based, airborne and space-borne measurements both in case studies and statistically. Subsequently, we estimate the area over Europe affected by volcanic ash above certain concentration thresholds relevant for the aviation industry. We find that during three episodes in April and May, volcanic ash concentrations at some altitude in the atmosphere exceeded the limits for the "Normal" flying zone in up to 14 % (6-16 %), 2 % (1-3 %) and 7 % (4-11 %), respectively, of the European area. For a limit of 2 mg m-3 only two episodes with fractions of 1.5 % (0.2-2.8 %) and 0.9 % (0.1-1.6 %) occurred, while the current "No-Fly" zone criterion of 4 mg m-3 was rarely exceeded. Our results have important ramifications for determining air space closures and for real-time quantitative estimations of ash concentrations. Furthermore, the general nature of our method yields better constraints on the distribution and fate of volcanic ash in the Earth system.

  19. Better Resolved Low Frequency Dispersions by the Apt Use of Kramers-Kronig Relations, Differential Operators, and All-In-1 Modeling

    PubMed Central

    van Turnhout, J.

    2016-01-01

    The dielectric spectra of colloidal systems often contain a typical low frequency dispersion, which usually remains unnoticed, because of the presence of strong conduction losses. The KK relations offer a means for converting ε′ into ε″ data. This allows us to calculate conduction free ε″ spectra in which the l.f. dispersion will show up undisturbed. This interconversion can be done on line with a moving frame of logarithmically spaced ε′ data. The coefficients of the conversion frames were obtained by kernel matching and by using symbolic differential operators. Logarithmic derivatives and differences of ε′ and ε″ provide another option for conduction free data analysis. These difference-based functions actually derived from approximations to the distribution function, have the additional advantage of improving the resolution power of dielectric studies. A high resolution is important because of the rich relaxation structure of colloidal suspensions. The development of all-in-1 modeling facilitates the conduction free and high resolution data analysis. This mathematical tool allows the apart-together fitting of multiple data and multiple model functions. It proved also useful to go around the KK conversion altogether. This was achieved by the combined approximating ε′ and ε″ data with a complex rational fractional power function. The all-in-1 minimization turned out to be also highly useful for the dielectric modeling of a suspension with the complex dipolar coefficient. It guarantees a secure correction for the electrode polarization, so that the modeling with the help of the differences ε′ and ε″ can zoom in on the genuine colloidal relaxations. PMID:27242997

  20. Microsecond protein folding events revealed by time-resolved fluorescence resonance energy transfer in a microfluidic mixer.

    PubMed

    Jiang, Liguo; Zeng, Yan; Sun, Qiqi; Sun, Yueru; Guo, Zhihong; Qu, Jianan Y; Yao, Shuhuai

    2015-06-01

    We demonstrate the combination of the time-resolved fluorescence resonance energy transfer (tr-FRET) measurement and the ultrarapid hydrodynamic focusing microfluidic mixer. The combined technique is capable of probing the intermolecular distance change with temporal resolution at microsecond level and structural resolution at Angstrom level, and the use of two-photon excitation enables a broader exploration of FRET with spectrum from near-ultraviolet to visible wavelength. As a proof of principle, we used the coupled microfluidic laminar flow and time-resolved two-photon excitation microscopy to investigate the early folding states of Cytochrome c (cyt c) by monitoring the distance between the tryptophan (Trp-59)-heme donor-acceptor (D-A) pair. The transformation of folding states of cyt c in the early 500 μs of refolding was revealed on the microsecond time scale. For the first time, we clearly resolved the early transient state of cyt c, which is populated within the dead time of the mixer (<10 μs) and has a characteristic Trp-59-heme distance of ∼31 Å. We believe this tool can find more applications in studying the early stages of biological processes with FRET as the probe.

  1. Mechanisms of peptide fragmentation from time- and energy-resolved surface-induced dissociation studies: Dissociation of angiotensin analogs

    NASA Astrophysics Data System (ADS)

    Laskin, Julia; Bailey, Thomas H.; Futrell, Jean H.

    2006-03-01

    Energetics and mechanism of dissociation of singly protonated angiotensin III (RVYIHPF) and its analogs RVYIFPF, RVYIYPF, RVYIHAF and RVYIHDF was studied using surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially configured for studying ion activation by collisions with surfaces. The energetics and dynamics of peptide fragmentation were deduced by modeling the time- and energy-resolved survival curves for each precursor ion using an RRKM-based approach developed in our laboratory. Fragmentation mechanisms were inferred from comparison of time- and energy-resolved fragmentation efficiency curves (TFECs) of different fragment ions followed by RRKM modeling of dissociation of angiotensin III into six major families of fragment ions. Detailed modeling demonstrated that dissociation of these peptides is dominated by loss of ammonia from the precursor ion and characterized by a high-energy barrier of 1.6 eV. Loss of NH3 and subsequent rearrangement of the MH+-NH3 ion results in proton mobilization and release of ca. 30 kcal/mol into internal excitation of the MH+-NH3 ion. The resulting highly excited ion accesses a variety of non-specific dissociation pathways with very high rate constants. Fast fragmentation of excited MH+-NH3 ion forms a variety of abundant bn-NH3 and an-NH3 fragment ions. Abundant XH and HX internal fragments are also formed, reflecting the stability of histidine-containing diketopiperazine structures.

  2. Laser-induced electron emission from a tungsten nanotip: identifying above threshold photoemission using energy-resolved laser power dependencies

    NASA Astrophysics Data System (ADS)

    Bionta, M. R.; Chalopin, B.; Champeaux, J. P.; Faure, S.; Masseboeuf, A.; Moretto-Capelle, P.; Chatel, B.

    2014-06-01

    We present an experiment studying the interaction of a strongly focused 25 fs laser pulse with a tungsten nanotip, investigating the different regimes of laser-induced electron emission. We study the dependence of the electron yield with respect to the static electric field applied to the tip. Photoelectron spectra are recorded using a retarding field spectrometer and peaks separated by the photon energy are observed with a 45% contrast. They are a clear signature of above threshold photoemission (ATP), and are confirmed by extensive spectrally resolved studies of the laser power dependence. Understanding these mechanisms opens the route to control experiment in the strong-field regime on nanoscale objects.

  3. Characterization of spatially resolved high resolution x-ray spectrometers for high energy density physics and light source experiments

    SciTech Connect

    Hill, K. W. Bitter, M.; Delgado-Aparacio, L.; Efthimion, P.; Pablant, N. A.; Lu, J.; Beiersdorfer, P.; Chen, H.; Magee, E.

    2014-11-15

    A high resolution 1D imaging x-ray spectrometer concept comprising a spherically bent crystal and a 2D pixelated detector is being optimized for diagnostics of small sources such as high energy density physics (HEDP) and synchrotron radiation or x-ray free electron laser experiments. This instrument is used on tokamak experiments for Doppler measurements of ion temperature and plasma flow velocity profiles. Laboratory measurements demonstrate a resolving power, E/ΔE of order 10 000 and spatial resolution better than 10 μm. Initial tests of the high resolution instrument on HEDP plasmas are being performed.

  4. The Role of Energy Dispersion in the Genesis and Life Cycle of African Easterly Waves

    NASA Astrophysics Data System (ADS)

    Diaz, Michael

    This dissertation uses energy dispersion and wave packet concepts to provide a better conceptual model of the genesis and life cycle of African Easterly Waves and to better understand the instability of the African Easterly Jet (AEJ). The existence of an upstream (eastward) group velocity for AEWs is shown based on single-point lag regressions using gridded reanalysis data from 1990 to 2010. The eastward energy dispersion is consistent with the direction of ageostrophic geopotential flux vectors. A local eddy kinetic energy (EKE) budget reveals that, early in the life cycle of AEWs, growth rate due to geopotential flux convergence exceeds baroclinic and barotropic growth rates. Later in the life cycle, EKE decay due to geopotential flux divergence cancels or exceeds baroclinic and barotropic growth. A potential vorticity (PV) budget is used to diagnose tendencies related to group propagation. Although both upstream and downstream group speeds are possible because of the reversal in the mean meridional PV gradient, upstream propagation associated with the positive poleward PV gradient dominates wave packet evolution. Analogous to the concept of downstream development of midlatitude baroclinic waves, new AEWs develop preferentially upstream of the older ones, thus providing a mechanism for seeding new waves. The usefulness of upstream development as a genesis mechanism for AEWs is demonstrated by performing a case study of the AEW which ultimately produced hurricane Alberto (2000). The case study uses the ERA-interim reanalysis combined with surface observations and TRMM data. Using a local EKE budget, we attribute its genesis to energy dispersion from a preceding AEW. After genesis, baroclinic and barotropic conversion dominated the energetics of this AEW. Some strengths and weaknesses of upstream development as a paradigm for AEW genesis are discussed with respect to other potential mechanisms. The stability of the AEJ is examined applying the concept of absolute

  5. Determination of time- and height-resolved volcanic ash emissions for quantitative ash dispersion modeling: the 2010 Eyjafjallajökull eruption

    NASA Astrophysics Data System (ADS)

    Stohl, A.; Prata, A. J.; Eckhardt, S.; Clarisse, L.; Durant, A.; Henne, S.; Kristiansen, N. I.; Minikin, A.; Schumann, U.; Seibert, P.; Stebel, K.; Thomas, H. E.; Thorsteinsson, T.; Tørseth, K.; Weinzierl, B.

    2011-02-01

    The April-May 2010 volcanic eruptions of Eyjafjallajökull, Iceland caused significant economic and social disruption in Europe whilst state of the art measurements and ash dispersion forecasts were heavily criticized by the aviation industry. Here we demonstrate for the first time that dramatic improvements can be made in quantitative predictions of the fate of volcanic ash emissions, by using an inversion scheme that couples a priori source information and the output of a Lagrangian dispersion model with satellite data to estimate the volcanic ash source strength as a function of altitude and time. From the inversion, we obtain a total fine ash emission of the eruption of 8.3 ± 4.2 Tg for particles in the size range of 2.8-28 μm diameter and extrapolate this to a total ash emission of 11.9 ± 5.9 Tg for the size range of 0.25-250 μm. We evaluate the results of our a posteriori model using independent ground-based, airborne and space-borne measurements both in case studies and statistically. Subsequently, we estimate the area over Europe affected by volcanic ash above certain concentration thresholds relevant for the aviation industry. We find that during three episodes in April and May, volcanic ash concentrations at some altitude in the atmosphere exceeded the limits for the "normal" flying zone in up to 14% (6-16%), 2% (1-3%) and 7% (4-11%), respectively, of the European area. For a limit of 2 mg m-3 only two episodes with fractions of 1.5% (0.2-2.8%) and 0.9% (0.1-1.6%) occurred, while the current "no-fly" zone criterion of 4 mg m-3 was rarely exceeded. Our results have important ramifications for determining air space closures and for real-time quantitative estimations of ash concentrations. Furthermore, the general nature of our method yields better constraints on the distribution and fate of volcanic ash in the Earth system.

  6. Surface energy changes and their relationship with the dispersibility of salmeterol xinafoate powders for inhalation after storage at high RH.

    PubMed

    Das, Shyamal; Larson, Ian; Young, Paul; Stewart, Peter

    2009-11-01

    This study investigated the relationship between surface energy of micronized lactose, coarse lactose and salmeterol xinafoate and dispersibility from a mixture after storage at 75% RH. Surface energies, dispersibility, morphology, and the presence of amorphous domains were determined by inverse gas chromatography, twin stage impinger, scanning electron microscope and dynamic vapour sorption, respectively. The fine particle fraction of mixture decreased significantly in 4 weeks (P<0.05), reaching a static level in 3 months. Amorphous content was not detected in the micronized lactose, coarse lactose and salmeterol xinafoate. After conditioning stored samples at 75% RH for 2h, dispersive surface energy of both micronized and coarse lactose significantly decreased (P<0.05), while the polar surface energy of all significantly increased (P<0.05) resulting in significant increase in total surface energy after storage. After conditioning stored samples at 0% RH for 2h, no significant difference was observed in any surface energy parameter. This study concluded that the total surface energy increased during storage at high RH due to the adhered surface moisture. The mechanism of decreased dispersibility was related to increased capillary/solid bridging interactions and to possible increased interaction of contiguous particles due to increased polar surface energy. PMID:19732829

  7. Time-resolved photoemission apparatus achieving sub-20-meV energy resolution and high stability

    SciTech Connect

    Ishida, Y.; Togashi, T.; Yamamoto, K.; Tanaka, M.; Kiss, T.; Otsu, T.; Kobayashi, Y.; Shin, S.

    2014-12-15

    The paper describes a time- and angle-resolved photoemission apparatus consisting of a hemispherical analyzer and a pulsed laser source. We demonstrate 1.48-eV pump and 5.92-eV probe measurements at the ⩾10.5-meV and ⩾240-fs resolutions by use of fairly monochromatic 170-fs pulses delivered from a regeneratively amplified Ti:sapphire laser system operating typically at 250 kHz. The apparatus is capable to resolve the optically filled superconducting peak in the unoccupied states of a cuprate superconductor, Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+δ}. A dataset recorded on Bi(111) surface is also presented. Technical descriptions include the followings: A simple procedure to fine-tune the spatio-temporal overlap of the pump-and-probe beams and their diameters; achieving a long-term stability of the system that enables a normalization-free dataset acquisition; changing the repetition rate by utilizing acoustic optical modulator and frequency-division circuit.

  8. Energy-momentum tensor of the electromagnetic field in dispersive media

    NASA Astrophysics Data System (ADS)

    Toptygin, I. N.; Levina, K.

    2016-02-01

    We study the relation between the energy-momentum tensor of the electromagnetic field and the group velocity of quasi-monochromatic waves in a nonabsorptive, isotropic, spatially and temporally dispersive dielectric. It is shown that the Abraham force acting on a dielectric is not needed for the momentum conservation law to hold if the dielectric is free of external charges and currents and if the Abraham momentum density is used. The energy-momentum tensor turns out to be symmetric, and the Maxwell stress tensor is expressed either in terms of the momentum density vector and the group velocity or in terms of the energy density and the group velocity. The stress tensor and the energy density are essentially dependent on the frequency and wave vector derivatives of the functions that describe the electromagnetic properties of the medium (i.e., the dielectric permittivity and the magnetic permeability). The obtained results are applicable to both ordinary and left-handed media. The results are compared with those of other authors. The pressure a wave exerts on the interface between two media is calculated. For both ordinary and left-handed media, either 'radiation pressure' or 'radiation attraction' can occur at the interface, depending on the material parameters of the two media. For liquid dielectrics, the striction effect is considered.

  9. Food stress prompts dispersal behavior in apterous pea aphids: do activated aphids incur energy loss?

    PubMed

    Tabadkani, Seyed Mohammad; Ahsaei, Seyed Mohammad; Hosseininaveh, Vahid; Nozari, Jamasb

    2013-02-17

    The pea aphid, Acyrthosiphon pisum (Hem: Aphididae), has been repeatedly used as a model species in a wide range of biological studies including genetics, ecology, physiology, and behavior. When red pea aphids feed on low quality plants in crowded conditions, some individuals lose their color shade and become pale yellowish, while other individuals on the same host plants remain changeless. The pale aphids have been shown to walk significantly faster and migrate more frequently to neighboring plants compared to the original red ones. We hypothesized that the color change and higher activity of pale aphids are directly associated with their suboptimal nutritional status. We showed that the pale aphids have significantly lower wet and dry weights than red ones. Analyses of energy reserves in individual aphids revealed that the pale aphids suffer a significant loss in their lipid and soluble carbohydrate contents. Our results provide a strong link between host quality, body color, dispersal rate, and energy reserves of pea aphids. Apparently, utilization of energy reserves resulted from an imbalance in food sources received by the aphids stimulates them to walk more actively to find new hosts and restore their lost energy. This reversible shift enables aphids to quickly respond to deprived host plants much earlier than the appearance of winged morph and restore their original status when they find appropriate host.

  10. An Overview of High-Resolution, Non-Dispersive, Imaging Spectrometers for High-Energy Photons

    NASA Technical Reports Server (NTRS)

    Kilbourne, Caroline

    2010-01-01

    High-resolution x-ray spectroscopy has become a powerful tool for studying the evolving universe. The grating spectrometers on the XMM and Chandra satellites initiated a new era in x-ray astronomy. Despite their successes, there is still need for instrumentation that can provide higher spectral resolution with high throughput in the Fe-K band and for extended sources. What is needed is a non-dispersive imaging spectrometer - essentially a 14-bit x-ray color camera. And a requirement for a nondispersive spectrometer designed to provide eV-scale spectral resolution is a temperature below 0.1 K. The required spectral resolution and the constraints of thermodynamics and engineering dictate the temperature regime nearly independently of the details of the sensor or the read-out technology. Low-temperature spectrometers can be divided into two classes - - equilibrium and non-equilibrium. In the equilibrium devices, or calorimeters, the energy is deposited in an isolated thermal mass and the resulting increase in temperature is measured. In the non-equilibrium devices, the absorbed energy produces quantized excitations that are counted to determine the energy. The two approaches have different strong points, and within each class a variety of optimizations have been pursued. I will present the basic fundamentals of operation and the details of the most successful device designs to date. I will also discuss how the measurement priorities (resolution, energy band, count rate) influence the optimal choice of detector technology.

  11. Energy dispersive-EXAFS of Pd nucleation at a liquid/liquid interface

    NASA Astrophysics Data System (ADS)

    Chang, S.-Y.; Booth, S. G.; Uehara, A.; Mosselmans, J. F. W.; Cibin, G.; Pham, V.-T.; Nataf, L.; Dryfe, R. A. W.; Schroeder, S. L. M.

    2016-05-01

    Energy dispersive extended X-ray absorption fine structure (EDE) has been applied to Pd nanoparticle nucleation at a liquid/liquid interface under control over the interfacial potential and thereby the driving force for nucleation. Preliminary analysis focusing on Pd K edge-step height determination shows that under supersaturated conditions the concentration of Pd near the interface fluctuate over a period of several hours, likely due to the continuous formation and dissolution of sub-critical nuclei. Open circuit potential measurements conducted ex-situ in a liquid/liquid electrochemical cell support this view, showing that the fluctuations in Pd concentration are also visible as variations in potential across the liquid/liquid interface. By decreasing the interfacial potential through inclusion of a common ion (tetraethylammonium, TEA+) the Pd nanoparticle growth rate could be slowed down, resulting in a smooth nucleation process. Eventually, when the TEA+ ions reached an equilibrium potential, Pd nucleation and particle growth were inhibited.

  12. Soil characterization by energy dispersive X-ray fluorescence: sampling strategy for in situ analysis.

    PubMed

    Custo, Graciela; Boeykens, Susana; Dawidowski, L; Fox, L; Gómez, D; Luna, F; Vázquez, Cristina

    2005-07-01

    This work describes a sampling strategy that will allow the use of portable EDXRF (energy dispersive X-ray fluorescence) instruments for "in situ" soil analysis. The methodology covers a general approach to planning field investigations for any type of environmental studies and it was applied for a soil characterization study in the zone of Campana, Argentina, by evaluating data coming from an EDXRF spectrometer with a radioisotope excitation source. Simulating non-treated sampled as "in situ" samples and a soil characterization for Campana area was intended. "In situ" EDXRF methodology is a powerful analytical modality with the advantage of providing data immediately, allowing a fast general screening of the soil composition. PMID:16038489

  13. Compositional analysis of Ceramic Glaze by Laser Induced Breakdown Spectroscopy and Energy Dispersive X-Ray

    NASA Astrophysics Data System (ADS)

    Khedr, A.; Abdel-kareem, O.; Elnabi, S. H.; Harith, M. A.

    2011-09-01

    Laser induced breakdown spectroscopy (LIBS) has been applied for the analysis of Egyptian Islamic glaze ceramic sample. The sample dating back to Fatimid period (969-1169AD), and collected from Al-Fustat excavation store in Cairo. The analysis of contaminated pottery sample has been performed to draw mapping for the elemental compositions by LIBS technique. LIBS measurements have been done by the fundamental wavelength (1064 nm) of Nd: YAG laser for the elemental analysis and performing the cleaning processes of the pottery sample. In addition, complementary analyses were carried out by scanning electron microscopy linked with energy dispersive X-ray microanalysis (SEM/EDX) to obtain verification of chemical results. The morphological surfaces before and after cleaning has been done by Optical Microscopy (OM).

  14. Microscopic mechanism of 1/f noise in graphene: role of energy band dispersion.

    PubMed

    Pal, Atindra Nath; Ghatak, Subhamoy; Kochat, Vidya; Sneha, E S; Sampathkumar, Arjun; Raghavan, Srinivasan; Ghosh, Arindam

    2011-03-22

    A distinctive feature of single-layer graphene is the linearly dispersive energy bands, which in the case of multilayer graphene become parabolic. A simple electrical transport-based probe to differentiate between these two band structures will be immensely valuable, particularly when quantum Hall measurements are difficult, such as in chemically synthesized graphene nanoribbons. Here we show that the flicker noise, or the 1/f noise, in electrical resistance is a sensitive and robust probe to the band structure of graphene. At low temperatures, the dependence of noise magnitude on the carrier density was found to be opposite for the linear and parabolic bands. We explain our data with a comprehensive theoretical model that clarifies several puzzling issues concerning the microscopic origin of flicker noise in graphene field-effect transistors (GraFET). PMID:21332148

  15. Evaluation on determination of iodine in coal by energy dispersive X-ray fluorescence

    USGS Publications Warehouse

    Wang, B.; Jackson, J.C.; Palmer, C.; Zheng, B.; Finkelman, R.B.

    2005-01-01

    A quick and inexpensive method of relative high iodine determination from coal samples was evaluated. Energy dispersive X-ray fluorescence (EDXRF) provided a detection limit of about 14 ppm (3 times of standard deviations of the blank sample), without any complex sample preparation. An analytical relative standard deviation of 16% was readily attainable for coal samples. Under optimum conditions, coal samples with iodine concentrations higher than 5 ppm can be determined using this EDXRF method. For the time being, due to the general iodine concentrations of coal samples lower than 5 ppm, except for some high iodine content coal, this method can not effectively been used for iodine determination. More work needed to meet the requirement of determination of iodine from coal samples for this method. Copyright ?? 2005 by The Geochemical Society of Japan.

  16. Precise calculations in simulations of the interaction of low energy neutrons with nano-dispersed media

    NASA Astrophysics Data System (ADS)

    Artem'ev, V. A.; Nezvanov, A. Yu.; Nesvizhevsky, V. V.

    2016-01-01

    We discuss properties of the interaction of slow neutrons with nano-dispersed media and their application for neutron reflectors. In order to increase the accuracy of model simulation of the interaction of neutrons with nanopowders, we perform precise quantum mechanical calculation of potential scattering of neutrons on single nanoparticles using the method of phase functions. We compare results of precise calculations with those performed within first Born approximation for nanodiamonds with the radius of 2-5 nm and for neutron energies 3 × 10-7-10-3 eV. Born approximation overestimates the probability of scattering to large angles, while the accuracy of evaluation of integral characteristics (cross sections, albedo) is acceptable. Using Monte-Carlo method, we calculate albedo of neutrons from different layers of piled up diamond nanopowder.

  17. Sodium Chloride Diffusion during Muscle Salting Evidenced by Energy-Dispersive X-ray Spectroscopy Imaging.

    PubMed

    Filgueras, Rénata; Peyrin, Frédéric; Vénien, Annie; Hénot, Jean Marc; Astruc, Thierry

    2016-01-27

    To better understand the relationship between the muscle structure and NaCl transfers in meat, we used energy-dispersive X-ray spectroscopy (EDS) coupled with scanning electron microscopy (SEM) to analyze brined and dry-salted rat muscles. The muscles were freeze-dried to avoid the delocalization of soluble ions that happens in regular dehydration through a graded series of ethanol. Na and Cl maps were superimposed on SEM images to combine the muscle structure and NaCl diffusion. Brining causes rapid diffusion of NaCl through the tissue. Most brine diffuses in a linear front from the muscle surface, but a small proportion enters through the perimysium network. The muscle area penetrated by brine shows heterogeneous patterns of NaCl retention, with some connective tissue islets containing more NaCl than other parts of perimysium. NaCl penetration is considerably slower after dry salting than after brining.

  18. High-energy x-ray anomalous dispersion correction for silicon

    NASA Astrophysics Data System (ADS)

    Deutsch, Moshe; Hart, Michael

    1988-02-01

    Energy-dependent structure factors measured by Saka and Kato [Acta Crystallogr., Sect. A 43, 252 (1987); 43, 255 (1987)] for silicon are analyzed, and values of the real part of the anomalous dispersion correction term f'(ω) extracted for 12 wavelengths in the range 0.3-0.8 Å with an estimated accuracy of a few millielectrons. This is the first experimental set of such data for wavelengths less than 0.56 Å. The agreement with previous high-accuracy data for 0.56 and 0.71 Å is very good. Comparison with nonrelativistic and relativistic theoretical calculations shows excellent agreement down to 0.4 Å with very recent relativistic calculations including multipole and retardation terms. For shorter wavelengths a small deviation between theory and experiment is observed. Possible causes for this are discussed.

  19. Communication: A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of ⁴He nanodroplets on surfaces: ⁴He/graphene.

    PubMed

    de Lara-Castells, María Pilar; Stoll, Hermann; Civalleri, Bartolomeo; Causà, Mauro; Voloshina, Elena; Mitrushchenkov, Alexander O; Pi, Martí

    2014-10-21

    In this work we propose a general strategy to calculate accurate He-surface interaction potentials. It extends the dispersionless density functional approach recently developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] to adsorbate-surface interactions by including periodic boundary conditions. We also introduce a scheme to parametrize the dispersion interaction by calculating two- and three-body dispersion terms at coupled cluster singles and doubles and perturbative triples (CCSD(T)) level via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. The performance of the composite approach is tested on (4)He/graphene by determining the energies of the low-lying selective adsorption states, finding an excellent agreement with the best available theoretical data. Second, the capability of the approach to describe dispersionless correlation effects realistically is used to extract dispersion effects in time-dependent density functional simulations on the collision of (4)He droplets with a single graphene sheet. It is found that dispersion effects play a key role in the fast spreading of the (4)He nanodroplet, the evaporation-like process of helium atoms, and the formation of solid-like helium structures. These characteristics are expected to be quite general and highly relevant to explain experimental measurements with the newly developed helium droplet mediated deposition technique.

  20. Communication: A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of {sup 4}He nanodroplets on surfaces: {sup 4}He/graphene

    SciTech Connect

    Lara-Castells, María Pilar de; Stoll, Hermann; Civalleri, Bartolomeo; Causà, Mauro; Voloshina, Elena; Mitrushchenkov, Alexander O.; Pi, Martí

    2014-10-21

    In this work we propose a general strategy to calculate accurate He–surface interaction potentials. It extends the dispersionless density functional approach recently developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] to adsorbate-surface interactions by including periodic boundary conditions. We also introduce a scheme to parametrize the dispersion interaction by calculating two- and three-body dispersion terms at coupled cluster singles and doubles and perturbative triples (CCSD(T)) level via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. The performance of the composite approach is tested on {sup 4}He/graphene by determining the energies of the low-lying selective adsorption states, finding an excellent agreement with the best available theoretical data. Second, the capability of the approach to describe dispersionless correlation effects realistically is used to extract dispersion effects in time-dependent density functional simulations on the collision of {sup 4}He droplets with a single graphene sheet. It is found that dispersion effects play a key role in the fast spreading of the {sup 4}He nanodroplet, the evaporation-like process of helium atoms, and the formation of solid-like helium structures. These characteristics are expected to be quite general and highly relevant to explain experimental measurements with the newly developed helium droplet mediated deposition technique.

  1. Identifying and Resolving Issues in EnergyPlus and DOE-2 Window Heat Transfer Calculations

    SciTech Connect

    Booten, C.; Kruis, N.; Christensen, C.

    2012-08-01

    Issues in building energy software accuracy are often identified by comparative, analytical, and empirical testing as delineated in the BESTEST methodology. As described in this report, window-related discrepancies in heating energy predictions were identified through comparative testing of EnergyPlus and DOE-2. Multiple causes for discrepancies were identified, and software fixes are recommended to better align the models with the intended algorithms and underlying test data.

  2. UV-curable low surface energy fluorinated polycarbonate-based polyurethane dispersion.

    PubMed

    Hwang, Hyeon-Deuk; Kim, Hyun-Joong

    2011-10-15

    UV-curable low surface energy fluorinated polycarbonate-based polyurethane dispersions were synthesized by incorporating a hydroxy-terminated perfluoropolyether (PFPE) into the soft segment of polyurethane. The effects of the PFPE content on the UV-curing behavior, physical, surface, thermal properties and refractive index were investigated. The UV-curing behavior was analyzed by photo-differential scanning calorimetry. The surface free energy of the UV-cured film, which is related to the water or oil repellency, was calculated from contact angle measurements using the Lewis acid-base three liquids method. The surface free energy decreased significantly with increasing fluorine concentration because PFPE in the soft segment was tailored to the surface and produced a UV-cured film with a hydrophobic fluorine enriched surface, as confirmed by X-ray photoelectron spectroscopy. With increasing the fluorine content, the refractive indices of UV-cured films decreased. However, the UV-curing rate and final conversion was decreased with increasing contents of PFPE, which resulted in the decrease of the glass transition temperature (T(g)), crosslink density, tensile strength and surface hardness. PMID:21788027

  3. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    DOE PAGES

    Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

    2015-06-17

    We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of themore » FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.« less

  4. UV-curable low surface energy fluorinated polycarbonate-based polyurethane dispersion.

    PubMed

    Hwang, Hyeon-Deuk; Kim, Hyun-Joong

    2011-10-15

    UV-curable low surface energy fluorinated polycarbonate-based polyurethane dispersions were synthesized by incorporating a hydroxy-terminated perfluoropolyether (PFPE) into the soft segment of polyurethane. The effects of the PFPE content on the UV-curing behavior, physical, surface, thermal properties and refractive index were investigated. The UV-curing behavior was analyzed by photo-differential scanning calorimetry. The surface free energy of the UV-cured film, which is related to the water or oil repellency, was calculated from contact angle measurements using the Lewis acid-base three liquids method. The surface free energy decreased significantly with increasing fluorine concentration because PFPE in the soft segment was tailored to the surface and produced a UV-cured film with a hydrophobic fluorine enriched surface, as confirmed by X-ray photoelectron spectroscopy. With increasing the fluorine content, the refractive indices of UV-cured films decreased. However, the UV-curing rate and final conversion was decreased with increasing contents of PFPE, which resulted in the decrease of the glass transition temperature (T(g)), crosslink density, tensile strength and surface hardness.

  5. Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

    SciTech Connect

    Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

    2015-06-17

    We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.

  6. Energy allocation during the maturation of adults in a long-lived insect: implications for dispersal and reproduction.

    PubMed

    David, G; Giffard, B; van Halder, I; Piou, D; Jactel, H

    2015-10-01

    Energy allocation strategies have been widely documented in insects and were formalized in the context of the reproduction process by the terms 'capital breeder' and 'income breeder'. We propose here the extension of this framework to dispersal ability, with the concepts of 'capital disperser' and 'income disperser', and explore the trade-off in resource allocation between dispersal and reproduction. We hypothesized that flight capacity was sex-dependent, due to a trade-off in energy allocation between dispersal and egg production in females. We used Monochamus galloprovincialis as model organism, a long-lived beetle which is the European vector of the pine wood nematode. We estimated the flight capacity with a flight mill and used the number of mature eggs as a proxy for the investment in reproduction. We used the ratio between dry weights of the thorax and the abdomen to investigate the trade-off. The probability of flying increased with the adult weight at emergence, but was not dependent on insect age or sex. Flight distance increased with age in individuals but did not differ between sexes. It was also positively associated with energy allocation to thorax reserves, which increased with age. In females, the abdomen weight and the number of eggs also increase with age with no negative effect on flight capacity, indicating a lack of trade-off. This long-lived beetle has a complex strategy of energy allocation, being a 'capital disperser' in terms of flight ability, an 'income disperser' in terms of flight performance and an 'income breeder' in terms of egg production.

  7. Digital performance improvements of a CdTe pixel detector for high flux energy-resolved X-ray imaging

    NASA Astrophysics Data System (ADS)

    Abbene, L.; Gerardi, G.; Principato, F.

    2015-03-01

    Photon counting detectors with energy resolving capabilities are desired for high flux X-ray imaging. In this work, we present the performance of a pixelated Schottky Al/p-CdTe/Pt detector (4×4) coupled to a custom-designed digital readout electronics for high flux measurements. The detector (4×4×2 mm3) has an anode layout based on an array of 16 pixels with a geometric pitch of 1 mm (pixel size of 0.6 mm). The 4-channel readout electronics is able to continuously digitize and process the signals from each pixel, performing multi-parameter analysis (event arrival time, pulse shape, pulse height, pulse time width, etc.) even at high fluxes and at different throughput and energy resolution conditions. The spectroscopic response of the system to monochromatic X-ray sources, at both low and high rates, is presented with particular attention to the mitigation of some typical spectral distortions (pile-up, baseline shifts and charge sharing). At a photon counting rate of 520 kcps/pixel, the system exhibits an energy resolution (FWHM at 59.5 keV) of 4.6%, 7.1% and 9% at throughputs of 0.9%, 16% and 82%, respectively. Measurements of Ag-target X-ray spectra also show the ability of the system to perform accurate estimation of the input counting rate up to 1.1 Mcps/pixel. The aim of this work is to point out, beside the appealing properties of CdTe detectors, the benefits of the digital approach in the development of high-performance energy resolved photon counting (ERPC) systems for high flux X-ray imaging.

  8. Towards hybrid pixel detectors for energy-dispersive or soft X-ray photon science.

    PubMed

    Jungmann-Smith, J H; Bergamaschi, A; Brückner, M; Cartier, S; Dinapoli, R; Greiffenberg, D; Huthwelker, T; Maliakal, D; Mayilyan, D; Medjoubi, K; Mezza, D; Mozzanica, A; Ramilli, M; Ruder, Ch; Schädler, L; Schmitt, B; Shi, X; Tinti, G

    2016-03-01

    JUNGFRAU (adJUstiNg Gain detector FoR the Aramis User station) is a two-dimensional hybrid pixel detector for photon science applications at free-electron lasers and synchrotron light sources. The JUNGFRAU 0.4 prototype presented here is specifically geared towards low-noise performance and hence soft X-ray detection. The design, geometry and readout architecture of JUNGFRAU 0.4 correspond to those of other JUNGFRAU pixel detectors, which are charge-integrating detectors with 75 µm × 75 µm pixels. Main characteristics of JUNGFRAU 0.4 are its fixed gain and r.m.s. noise of as low as 27 e(-) electronic noise charge (<100 eV) with no active cooling. The 48 × 48 pixels JUNGFRAU 0.4 prototype can be combined with a charge-sharing suppression mask directly placed on the sensor, which keeps photons from hitting the charge-sharing regions of the pixels. The mask consists of a 150 µm tungsten sheet, in which 28 µm-diameter holes are laser-drilled. The mask is aligned with the pixels. The noise and gain characterization, and single-photon detection as low as 1.2 keV are shown. The performance of JUNGFRAU 0.4 without the mask and also in the charge-sharing suppression configuration (with the mask, with a `software mask' or a `cluster finding' algorithm) is tested, compared and evaluated, in particular with respect to the removal of the charge-sharing contribution in the spectra, the detection efficiency and the photon rate capability. Energy-dispersive and imaging experiments with fluorescence X-ray irradiation from an X-ray tube and a synchrotron light source are successfully demonstrated with an r.m.s. energy resolution of 20% (no mask) and 14% (with the mask) at 1.2 keV and of 5% at 13.3 keV. The performance evaluation of the JUNGFRAU 0.4 prototype suggests that this detection system could be the starting point for a future detector development effort for either applications in the soft X-ray energy regime or for an energy-dispersive

  9. Towards hybrid pixel detectors for energy-dispersive or soft X-ray photon science.

    PubMed

    Jungmann-Smith, J H; Bergamaschi, A; Brückner, M; Cartier, S; Dinapoli, R; Greiffenberg, D; Huthwelker, T; Maliakal, D; Mayilyan, D; Medjoubi, K; Mezza, D; Mozzanica, A; Ramilli, M; Ruder, Ch; Schädler, L; Schmitt, B; Shi, X; Tinti, G

    2016-03-01

    JUNGFRAU (adJUstiNg Gain detector FoR the Aramis User station) is a two-dimensional hybrid pixel detector for photon science applications at free-electron lasers and synchrotron light sources. The JUNGFRAU 0.4 prototype presented here is specifically geared towards low-noise performance and hence soft X-ray detection. The design, geometry and readout architecture of JUNGFRAU 0.4 correspond to those of other JUNGFRAU pixel detectors, which are charge-integrating detectors with 75 µm × 75 µm pixels. Main characteristics of JUNGFRAU 0.4 are its fixed gain and r.m.s. noise of as low as 27 e(-) electronic noise charge (<100 eV) with no active cooling. The 48 × 48 pixels JUNGFRAU 0.4 prototype can be combined with a charge-sharing suppression mask directly placed on the sensor, which keeps photons from hitting the charge-sharing regions of the pixels. The mask consists of a 150 µm tungsten sheet, in which 28 µm-diameter holes are laser-drilled. The mask is aligned with the pixels. The noise and gain characterization, and single-photon detection as low as 1.2 keV are shown. The performance of JUNGFRAU 0.4 without the mask and also in the charge-sharing suppression configuration (with the mask, with a `software mask' or a `cluster finding' algorithm) is tested, compared and evaluated, in particular with respect to the removal of the charge-sharing contribution in the spectra, the detection efficiency and the photon rate capability. Energy-dispersive and imaging experiments with fluorescence X-ray irradiation from an X-ray tube and a synchrotron light source are successfully demonstrated with an r.m.s. energy resolution of 20% (no mask) and 14% (with the mask) at 1.2 keV and of 5% at 13.3 keV. The performance evaluation of the JUNGFRAU 0.4 prototype suggests that this detection system could be the starting point for a future detector development effort for either applications in the soft X-ray energy regime or for an energy-dispersive

  10. TOF Electron Energy Analyzer for Spin and Angular Resolved Photoemission Spectroscopy

    SciTech Connect

    Lebedev, Gennadi; Jozwiak, Chris; Andresen, Nord; Lanzara, Alessandra; Hussain, Zahid

    2008-07-09

    Current pulsed laser and synchrotron x-ray sources provide new opportunities for Time-Of- Flight (TOF) based photoemission spectroscopy to increase photoelectron energy resolution and efficiency compared to current standard techniques. The principals of photoelectron timing front formation, temporal aberration minimization, and optimization of electron beam transmission are presented. We have developed these concepts into a high resolution Electron Optical Scheme (EOS) of a TOF Electron Energy Analyzer (TOF-EEA) for photoemission spectroscopy. The EOS of the analyzer includes an electrostatic objective lens, three columns of transport lenses and a 90 degree energy band pass filter (BPF). The analyzer has two modes of operation: Spectrometer Mode (SM) with straight passage of electrons through the EOS undeflected by the BPF, allowing the entire spectrum to be measured, and Monochromator Mode (MM) in which the BPF defines a certain energy window inside the scope of the electron energy spectrum.

  11. TOF Electron Energy Analyzer for Spin and Angular Resolved Photoemission Spectroscopy

    NASA Astrophysics Data System (ADS)

    Lebedev, Gennadi; Jozwiak, Chris; Andresen, Nord; Hussain, Zahid; Lanzara, Alessandra

    2007-03-01

    Current pulsed laser and synchrotron x-ray sources provide new opportunities for Time-Of- Flight (TOF) based photoemission spectroscopy to increase photoelectron energy resolution and efficiency compared to current standard techniques. The principals of photoelectron timing front formation, temporal aberration minimization, and optimization of electron beam transmission are presented. We have developed these concepts into a high resolution a TOF Electron Energy Analyzer for photoemission spectroscopy. The electron optical scheme of the analyzer includes an electrostatic objective lens, three columns of transport lenses and a 90 degree energy band pass filter (BPF). High efficiency exchange scattering based spin polarimeter [1] is used for electron spin detection. The analyzer support two modes of operation: Spectrometer Mode allowing the entire spectrum to be measured, and Monochromator Mode in which the BPF passes a specified energy window inside the scope of the electron energy spectrum. [1] J. Graf, C. Jozwiak, A. K. Schmid, Z. Hussain, and A. Lanzara, Physical. Rev. B 71, 144429 (2005)

  12. Time-resolved soft-x-ray studies of energy transport in layered and planar laser-driven targets

    SciTech Connect

    Stradling, G.L.

    1982-04-19

    New low-energy x-ray diagnostic techniques are used to explore energy-transport processes in laser heated plasmas. Streak cameras are used to provide 15-psec time-resolution measurements of subkeV x-ray emission. A very thin (50 ..mu..g/cm/sup 2/) carbon substrate provides a low-energy x-ray transparent window to the transmission photocathode of this soft x-ray streak camera. Active differential vacuum pumping of the instrument is required. The use of high-sensitivity, low secondary-electron energy-spread CsI photocathodes in x-ray streak cameras is also described. Significant increases in sensitivity with only a small and intermittant decrease in dynamic range were observed. These coherent, complementary advances in subkeV, time-resolved x-ray diagnostic capability are applied to energy-transport investigations of 1.06-..mu..m laser plasmas. Both solid disk targets of a variety of Z's as well as Be-on-Al layered-disk targets were irradiated with 700-psec laser pulses of selected intensity between 3 x 10/sup 14/ W/cm/sup 2/ and 1 x 10/sup 15/ W/cm/sup 2/.

  13. High harmonic generation based time resolved ARPES at 30 eV with 50 meV energy resolution

    NASA Astrophysics Data System (ADS)

    Rohwer, Timm; Sie, Edbert J.; Mahmood, Fahad; Gedik, Nuh

    Angle-resolved photoelectron spectroscopy (ARPES) has emerged as a leading technique in identifying equilibrium properties of complex electronic systems as well as their correlated dynamics. By using femtosecond high harmonic generation (HHG) pulses, this technique can be extended to monitor ultrafast changes in the electronic structure in response to an optical excitation. However, the broad bandwidth of the HHG pulses has been a major experimental limitation. In this contribution, we combine the HHG source with an off-axis Czerny-Turner XUV monochromator and a three-dimensional ``ARTOF'' photoelectron detector to achieve an unrivaled overall energy resolution of 50 meV in multiple harmonic energies. Moreover, the use of a stack of different gratings enables us to fine control both the photon energy and time vs. energy resolution to its particular needs. The performance of our setup is demonstrated by studies on the transition metal dichalcogenide IrTe2 which undergoes a first-order structural transition and accompanied reconstruction of the band structure upon cooling without the characteristic opening of an energy gap.

  14. Rainbows in energy- and angle-resolved ion scattering from surfaces

    SciTech Connect

    Tenner, A.D.; Gillen, K.T.; Horn, T.C.M.; Los, J.; Kleyn, A.W.

    1984-06-11

    The angular and energy distributions of K/sup +/ ions scattered at normal incidence with an initial energy of 35 eV on a W(110) surface were measured for various crystal orientations. The complex distributions show rainbows, which are due to both to extrema in the deflection functions for the two scattering angles as well as to an extremum in the final energy as a function of the impact parameter. With use of computer simulations with a nonadditive model potential all observed structures can be explained.

  15. Binding of Transcription Factors Adapts to Resolve Information-Energy Tradeoff

    NASA Astrophysics Data System (ADS)

    Savir, Yonatan; Kagan, Jacob; Tlusty, Tsvi

    2016-03-01

    We examine the binding of transcription factors to DNA in terms of an information transfer problem. The input of the noisy channel is the biophysical signal of a factor bound to a DNA site, and the output is a distribution of probable DNA sequences at this site. This task involves an inherent tradeoff between the information gain and the energetics of the binding interaction—high binding energies provide higher information gain but hinder the dynamics of the system as factors are bound too tightly. We show that adaptation of the binding interaction towards increasing information transfer under a general energy constraint implies that the information gain per specific binding energy at each base-pair is maximized. We analyze hundreds of prokaryote and eukaryote transcription factors from various organisms to evaluate the discrimination energies. We find that, in accordance with our theoretical argument, binding energies nearly maximize the information gain per energy. This work suggests the adaptation of information gain as a generic design principle of molecular recognition systems.

  16. Phase evolution in carbide dispersion strengthened nanostructured copper composite by high energy ball milling

    NASA Astrophysics Data System (ADS)

    Hussain, Zuhailawati; Nur Hawadah, M. S.

    2012-09-01

    In this study, high-energy ball milling was applied to synthesis in situ nanostructured copper based composite reinforced with metal carbides. Cu, M (M=W or Ti) and graphite powder mixture were mechanically alloyed for various milling time in a planetary ball mill with composition of Cu-20vol%WC and Cu-20vol%TiC. Then the as-milled powder were compacted at 200 to 400 MPa and sintered in a vacuum furnace at 900°C. The results of X-ray diffraction, scanning electron microscopy and energy dispersive spectroscopy analysis showed that formation of tungsten carbides (W2C and WC phases) was observed after sintering of Cu-W-C mixture while TiC precipitated in as-milled powder of Cu-Ti-C composite after 5 h and become amorphous with longer milling. Mechanism of MA explained the cold welding and fracturing event during milling. Cu-W-C system shows fracturing event is more dominant at early stage of milling and W particle still existed after milling up to 60 h. While in Cu-Ti-C system, cold welding is more dominant and all Ti particles dissolved into Cu matrix.

  17. Resolving Anomalies in Predicting Electrokinetic Energy Conversion Efficiencies of Nanofluidic Devices

    NASA Astrophysics Data System (ADS)

    Majumder, Sagardip; Dhar, Jayabrata; Chakraborty, Suman

    2015-10-01

    We devise a new approach for capturing complex interfacial interactions over reduced length scales, towards predicting electrokinetic energy conversion efficiencies of nanofluidic devices. By embedding several aspects of intermolecular interactions in continuum based formalism, we show that our simple theory becomes capable of representing complex interconnections between electro-mechanics and hydrodynamics over reduced length scales. The predictions from our model are supported by reported experimental data, and are in excellent quantitative agreement with molecular dynamics simulations. The present model, thus, may be employed to rationalize the discrepancies between low energy conversion efficiencies of nanofluidic channels that have been realized from experiments, and the impractically high energy conversion efficiencies that have been routinely predicted by the existing theories.

  18. Resolving Anomalies in Predicting Electrokinetic Energy Conversion Efficiencies of Nanofluidic Devices

    PubMed Central

    Majumder, Sagardip; Dhar, Jayabrata; Chakraborty, Suman

    2015-01-01

    We devise a new approach for capturing complex interfacial interactions over reduced length scales, towards predicting electrokinetic energy conversion efficiencies of nanofluidic devices. By embedding several aspects of intermolecular interactions in continuum based formalism, we show that our simple theory becomes capable of representing complex interconnections between electro-mechanics and hydrodynamics over reduced length scales. The predictions from our model are supported by reported experimental data, and are in excellent quantitative agreement with molecular dynamics simulations. The present model, thus, may be employed to rationalize the discrepancies between low energy conversion efficiencies of nanofluidic channels that have been realized from experiments, and the impractically high energy conversion efficiencies that have been routinely predicted by the existing theories. PMID:26437925

  19. Misidentification of Major Constituents by Automatic Qualitative Energy Dispersive X-ray Microanalysis: A Problem that Threatens the Credibility of the Analytical Community

    NASA Astrophysics Data System (ADS)

    Newbury*, Dale E.

    2005-12-01

    Automatic qualitative analysis for peak identification is a standard feature of virtually all modern computer-aided analysis software for energy dispersive X-ray spectrometry with electron excitation. Testing of recently installed systems from four different manufacturers has revealed the occasional occurrence of misidentification of peaks of major constituents whose concentrations exceeded 0.1 mass fraction (10 wt%). Test materials where peak identification failures were observed included ZnS, KBr, FeS2, tantalum-niobium alloy, NIST Standard Reference Material 482 (copper gold alloy), Bi2Te3, uranium rhodium alloys, platinum chromium alloy, GaAs, and GaP. These misidentifications of major constituents were exacerbated when the incident beam energy was 10 keV or lower, which restricted or excluded the excitation of the high photon energy K- and L-shell X-rays where multiple peaks, for example, K[alpha] (K-L2,3) K[beta] (K-M2,3); L[alpha] (L3-M4,5) L[beta] (L2-M4) L[gamma] (L2-N4), are well resolved and amenable to identification with high confidence. These misidentifications are so severe as to properly qualify as blunders that present a serious challenge to the credibility of this critical analytical technique. Systematic testing of a peak identification system with a suite of diverse materials can reveal the specific elements and X-ray peaks where failures are likely to occur.

  20. Energy Resolved High Resolution Dynamic E-Cell Materials Research. Final Report

    SciTech Connect

    Carpenter, Ray; Sharma, Renu; Mayer, James

    2000-05-16

    The purpose of this project was to develop in situ materials reaction observation capability in an intermediate voltage high resolution transmission electron microscope. To accomplish this we purchased a GATAN imaging energy filter system, a hot stage, and designed and constructed an environmental cell and real time television image recording system, and installed this equipment on our EM 430 intermediate voltage electron microscope.

  1. Angle-resolved photoelectron spectroscopy of HCl from a photon energy of 16 to 80 eV

    SciTech Connect

    Carlson, T.A.; Krause, M.O.; Fahlman, A.; Keller, P.R.; Taylor, J.W.; Whitley, T.; Grimm, F.A.

    1983-09-01

    Angle-resolved photoelectron spectroscopy was performed on HCl using synchrotron radiation over a photon energy from 16 to 80 eV. The partial cross sections and angular distribution parameters ..beta.. were obtained for photoionization of both the 2..pi.. and 5sigma orbitals. Multiple scattering X..cap alpha.. calculations were also carried out for the cross sections and ..beta.. values. The calculations, together with previously published results on the cross section using a Hartree--Fock model, were compared with experiment and gave reasonable qualitative agreement. Both experimental and theoretical results were examined with particular regard to the nature of the Cooper minimum, and the differences between the behavior of the minima for the two orbitals are discussed in detail.

  2. Comparison of calculated and experimentally resolved rate constants for excitation energy transfer in C-phycocyanin. 2. Trimers

    SciTech Connect

    Debreczeny, M.F.; Sauer, K.; Zhou, J.; Bryant, D.A.

    1995-05-18

    Resolution of the absorption spectrum of the {beta}{sub 155} chromophore in C-phycocyanin (PC) trimers is achieved by comparison of the steady state absorption spectra of ({alpha}{sup PC}{beta}{sup PC}){sub 3} and ({alpha}{sup PC}{beta}{sup *}){sub 3}. Comparison of the anisotropy decays of ({alpha}{sup PC}{beta}{sup PC}){sub 3} and ({alpha}{sup PC}{beta}{sup *}){sub 3} also greatly aids in the assignment of the dominant kinetic processes in PC trimers. A comparison is made of calculated Foerster rate constants for energy transfer with those rate constants resolved experimentally in the PC trimers. 35 refs.., 10 figs., 2 tabs.

  3. Time-resolved fluorescence resonance energy transfer as a versatile tool in the development of homogeneous cellular kinase assays.

    PubMed

    Saville, Lisa; Spais, Chrysanthe; Mason, Jennifer L; Albom, Mark S; Murthy, Seetha; Meyer, Sheryl L; Ator, Mark A; Angeles, Thelma S; Husten, Jean

    2012-12-01

    Homogeneous cellular assays can streamline product detection in the drug discovery process. One commercially available assay employing time-resolved fluorescence resonance energy transfer (TR-FRET) that detects phosphorylated products was used to evaluate inhibitors of the receptor tyrosine kinase AXL in a cell line expressing an AXL-green fluorescent protein fusion protein. This TR-FRET assay was modified to evaluate the phosphorylation state of the AXL family member MER in a cell line expressing MER with a V5 tag by adding a fluorescein-labeled anti-V5 antibody. This homogeneous cellular assay was further modified to evaluate the nonreceptor tyrosine kinase focal adhesion kinase (FAK) in cell lines that expressed an untagged kinase by the inclusion of a commercially available anti-FAK antibody conjugated with an acceptor dye. The methods described here can be further adapted for TR-FRET detection of other cellular kinase activities.

  4. Photosystem II does not possess a simple excitation energy funnel: time-resolved fluorescence spectroscopy meets theory.

    PubMed

    Shibata, Yutaka; Nishi, Shunsuke; Kawakami, Keisuke; Shen, Jian-Ren; Renger, Thomas

    2013-05-01

    The experimentally obtained time-resolved fluorescence spectra of photosystem II (PS II) core complexes, purified from a thermophilic cyanobacterium Thermosynechococcus vulcanus, at 5-180 K are compared with simulations. Dynamic localization effects of excitons are treated implicitly by introducing exciton domains of strongly coupled pigments. Exciton relaxations within a domain and exciton transfers between domains are treated on the basis of Redfield theory and generalized Förster theory, respectively. The excitonic couplings between the pigments are calculated by a quantum chemical/electrostatic method (Poisson-TrEsp). Starting with previously published values, a refined set of site energies of the pigments is obtained through optimization cycles of the fits of stationary optical spectra of PS II. Satisfactorily agreement between the experimental and simulated spectra is obtained for the absorption spectrum including its temperature dependence and the linear dichroism spectrum of PS II core complexes (PS II-CC). Furthermore, the refined site energies well reproduce the temperature dependence of the time-resolved fluorescence spectrum of PS II-CC, which is characterized by the emergence of a 695 nm fluorescence peak upon cooling down to 77 K and the decrease of its relative intensity upon further cooling below 77 K. The blue shift of the fluorescence band upon cooling below 77 K is explained by the existence of two red-shifted chlorophyll pools emitting at around 685 and 695 nm. The former pool is assigned to Chl45 or Chl43 in CP43 (Chl numbering according to the nomenclature of Loll et al. Nature2005, 438, 1040) while the latter is assigned to Chl29 in CP47. The 695 nm emitting chlorophyll is suggested to attract excitations from the peripheral light-harvesting complexes and might also be involved in photoprotection.

  5. FEA efficiency standards and energy usage: resolving Khazzoom versus Besen and Johnson

    SciTech Connect

    Einhorn, M.

    1984-01-01

    The author compares the model used by Khazzoom with that of Besen and Johnson to show that their conclusions differ because they organized the problem differently rather than whether or not more efficient appliances are more expensive. Khazzoon separates the capital cost of the appliance from the marginal cost of operation, while Bensen and Johnson combine energy costs and capital costs to find the cost of work. 4 references.

  6. A time-resolved study of rotational energy transfer into A and E symmetry species of 13CH3F

    NASA Astrophysics Data System (ADS)

    Everitt, Henry O.; De Lucia, Frank C.

    1989-04-01

    Rotational energy transfer processes into the A and E symmetry species of the symmetric top molecule 13CH3F have been studied. In this time-resolved double resonance experiment a tunable millimeter/submillimeter wave spectrometer was used to monitor the change in strength of rotational transitions in the ν3 vibrational state after a Q-switched CO2 laser pumped the K=3, J=5 level in ν3. A simple numerical simulation of rotational energy transfer allowed the 13CH3F system to be modeled and collisional energy transfer rates to be obtained from the data. Two important processes were studied. The first, a process that obeys the spin statistic selection rule ΔK=3n has a rate of 29±6 ms-1 mTorr-1. The second, a vibrational quantum number swapping collision that effectively transfers population between the A and E symmetry species and thereby transcends the spin statistic selection rule, has a rate of 6.6±0.7 ms-1 mTorr-1, about 1.4 gas kinetic collisions. The numerical simulations and these rates, along with previous measurements of the ΔJ=±1 rate and vibrational decay rates, provide an accurate characterization for a large body of varied experimental data.

  7. Dispersed, decentralized and renewable energy sources: alternatives to national vulnerability and war. Final report, July 1979-December 1980

    SciTech Connect

    McCasker, J.; Clark, W.

    1980-12-01

    Section 1 and 2 of this report contain background information on centralized energy systems and the relationship between vulnerability of these systems, energy planning, and existing civil defense programs. Section 3 and 4 contain an extensive investigation, review and categorization of alternative approaches to centralized, vulnerable energy systems; a review of dispersed and renewable technologies which can be appropriately implemented at the local level; and matrices for evaluation of these technologies for emergency and crisis planning. Specific recommendations to FEMA are included on the use of localized energy approaches for emergency response and recovery situations.

  8. Analysis of nuclear materials by energy dispersive x-ray fluorescence and spectral effects of alpha decay

    SciTech Connect

    Worley, Christopher G

    2009-01-01

    Energy dispersive X-ray fluorescence (EDXRF) spectra collected from alpha emitters are complicated by artifacts inherent to the alpha decay process, particularly when using portable instruments. For example, {sup 239}Pu EDXRF spectra exhibit a prominent uranium L X-ray emission peak series due to sample alpha decay rather than source-induced X-ray fluorescence. A portable EDXRF instrument was used to collect spectra from plutonium, americium, and a Pu-contaminated steel sample. The plutonium sample was also analyzed by wavelength dispersive XRF to demonstrate spectral differences observed when using these very different instruments.

  9. An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate

    NASA Astrophysics Data System (ADS)

    Gontrani, Lorenzo; Russina, Olga; Marincola, Flaminia Cesare; Caminiti, Ruggero

    2009-12-01

    In this work, we report on the first x-ray diffraction study on liquid dimethyl carbonate. Diffraction spectra were collected with an energy-dispersive instrument, whose wide Q-range allows the structure determination of weakly ordered systems (such as liquids). The structural correlation in this liquid ranges up to about 20 Å. The observed patterns are interpreted with a structural model derived from classical molecular dynamics simulations. The simulations were run using OPLS force field, only slightly modified to restrain bond distances to the experimental values. The model structure function and radial distribution functions, averaged among the productive trajectory frames, are in very good agreement with the corresponding experimental ones. Molecular dynamics results show that the deviations from C2v cis-cis structure, predicted by ab initio calculations and observed by electron diffraction in the gas phase, are small. By analyzing the intra- and intermolecular pair distribution functions, it was possible to assign the peaks of the experimental radial distribution function to specific structural correlations, and to compute the different average intermolecular coordination numbers. The intermolecular methyl-carbonyl oxygen distance is thoroughly discussed to assess the presence of weak C-H⋯ṡO hydrogen bonds.

  10. High temperature monitoring of silicon carbide ceramics by confocal energy dispersive X-ray fluorescence spectrometry

    NASA Astrophysics Data System (ADS)

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi

    2016-04-01

    In the present work, we presented an alternative method for monitoring of the oxidation situation of silicon carbide (SiC) ceramics at various high temperatures in air by measuring the Compton-to-Rayleigh intensity ratios (ICo/IRa) and effective atomic numbers (Zeff) of SiC ceramics with the confocal energy dispersive X-ray fluorescence (EDXRF) spectrometer. A calibration curve of the relationship between ICo/IRa and Zeff was established by using a set of 8 SiC calibration samples. The sensitivity of this approach is so high that it can be easily distinguished samples of Zeff differing from each other by only 0.01. The linear relationship between the variation of Zeff and the variations of contents of C, Si and O of SiC ceramics were found, and the corresponding calculation model of the relationship between the ΔZ and the ΔCC, ΔCSi, and ΔCO were established. The variation of contents of components of the tested SiC ceramics after oxidation at high temperature was quantitatively calculated based on the model. It was shown that the results of contents of carbon, silicon and oxygen obtained by this method were in good agreement with the results obtained by XPS, giving values of relative deviation less than 1%. It was concluded that the practicality of this proposed method for monitoring of the oxidation situation of SiC ceramics at high temperatures was acceptable.

  11. Energy Dispersive XAFS: Characterization of Electronically Excited States of Copper(I) Complexes

    PubMed Central

    2013-01-01

    Energy dispersive X-ray absorption spectroscopy (ED-XAS), in which the whole XAS spectrum is acquired simultaneously, has been applied to reduce the real-time for acquisition of spectra of photoinduced excited states by using a germanium microstrip detector gated around one X-ray bunch of the ESRF (100 ps). Cu K-edge XAS was used to investigate the MLCT states of [Cu(dmp)2]+ (dmp =2,9-dimethyl-1,10-phenanthroline) and [Cu(dbtmp)2]+ (dbtmp =2,9-di-n-butyl-3,4,7,8-tetramethyl-1,10-phenanthroline) with the excited states created by excitation at 450 nm (10 Hz). The decay of the longer lived complex with bulky ligands, was monitored for up to 100 ns. DFT calculations of the longer lived MLCT excited state of [Cu(dbp)2]+ (dbp =2,9-di-n-butyl-1,10-phenanthroline) with the bulkier diimine ligands, indicated that the excited state behaves as a Jahn–Teller distorted Cu(II) site, with the interligand dihedral angle changing from 83 to 60° as the tetrahedral coordination geometry flattens and a reduction in the Cu–N distance of 0.03 Å. PMID:23718738

  12. Micro energy-dispersive x-ray fluorescence spectrometry study of dentin coating with nanobiomaterials

    NASA Astrophysics Data System (ADS)

    Soares, Luís. Eduardo Silva; Nahorny, Sídnei; Marciano, Fernanda Roberta; Zanin, Hudson; Lobo, Anderson de Oliveira

    2015-06-01

    New biomaterials such as multi-walled carbon nanotubes oxide/graphene oxide (MWCNTO/GO), nanohydroxyapatite (nHAp) and combination of them together or not to acidulated phosphate fluoride gel (F) have been tested as protective coating before root dentin erosion. Fourteen bovine teeth were cleaned, polished, divided into two parts (n=28) and assigned to seven groups: (Control) - without previous surface treatment; F treatment; nHAp; MWCNTO/GO; F+nHAp; F+MWCNTO/GO and F+MWCNTO/GO/nHAp composites. Each sample had two sites of pre-treatments: acid etched area and an area without treatment. After the biomaterials application, the samples were submitted to six cycles (demineralization: orange juice, 10 min; remineralization: artificial saliva, 1 h). Micro energy-dispersive X-ray fluorescence spectrometry (μ-EDXRF) mapping area analyses were performed after erosive cycling on both sites (n=84). μ-EDXRF mappings showed that artificial saliva and MWCNTO/GO/nHAp/F composite treatments produced lower dentin demineralization than in the other groups. Exposed dentin tubules allowed better interaction of nanobiomaterials than in smear layer covered dentin. Association of fluoride with other biomaterials had a positive influence on acid etched dentin. MWCNTO/GO/nHAp/F composite treatment resulted in levels of demineralization similar to the control group.

  13. Biomedical and agricultural applications of energy dispersive X-ray spectroscopy in electron microscopy.

    PubMed

    Wyroba, Elżbieta; Suski, Szymon; Miller, Karolina; Bartosiewicz, Rafał

    2015-09-01

    Energy dispersive X-ray spectroscopy (EDS) in electron microscopy has been widely used in many research areas since it provides precise information on the chemical composition of subcellular structures that may be correlated with their high resolution images. In EDS the characteristic X-rays typical of each element are analyzed and the new detectors - an example of which we describe - allow for setting precisely the area of measurements and acquiring signals as a point analysis, as a linescan or in the image format of the desired area. Mapping of the elements requires stringent methods of sample preparation to prevent redistribution/loss of the elements as well as elimination of the risk of overlapping spectra. Both qualitative and quantitative analyses may be performed at a low probe current suitable for thin biological samples. Descriptions of preparation techniques, drawbacks and precautions necessary to obtain reliable results are provided, including data on standards, effects of specimen roughness and quantification. Data on EPMA application in different fields of biomedical and agricultural studies are reviewed. In this review we refer to recent EDS/EPMA applications in medical diagnostics, studies on air pollution and agrochemicals as well as on plant models used to monitor the environment.

  14. Elemental analysis of mining wastes by energy dispersive X-ray fluorescence (EDXRF)

    NASA Astrophysics Data System (ADS)

    Gonzalez-Fernandez, O.; Queralt, I.; Carvalho, M. L.; Garcia, G.

    2007-08-01

    An energy dispersive X-ray fluorescence (EDXRF) tri-axial geometry experimental spectrometer has been employed to determine the concentrations of 13 different elements (K, Ca, Ti, Cr, Mn, Fe, Co, Ni, Cu, Zn, Rb, Sr and Pb) in mine wastes from different depths of two mine tailings from the Cartagena-La Union (Spain) mining district. The elements were determined and quantified using the fundamental parameters method. The concentrations of Cr, Ni, Cu, Zn and Pb were compared to the values from the European and Spanish legislation to evaluate the environmental risk and to classify the wastes as inert wastes or as wastes that have to be control land-filled. The results obtained demonstrate that these wastes can be considered as inert for the considered elements, apart from the concentration levels of Zn and Pb. Whilst Zn slightly overpasses the regulatory levels, Pb mean value exceeds three to six times the value to be considered as Class I potential land-filling material.

  15. Energy dispersive X-ray analyses of organelles of NaCI-treated maize root cells

    NASA Astrophysics Data System (ADS)

    Stelzer, Ralf

    1984-04-01

    NaCl sensitive plants of Zea mays cv. ADOUR were grown in nutrient solutions with or without NaCl. Frozen, hydrated root-tip tissues were investigated by means of an ETEC scanning electron microscope fitted with a KEVEX energy dispersive X-ray analyser. Morphological details of the gently etched but non-coated surface of the cross fractured specimen were easy to identify and to analyse using an electron beam with a low intensity at 10 kV. X-ray data obtained from cell compartments and organelles as nuclei, nucleoli and mitochondria within individual cells establish typical X-ray spectra. Comparisons of these spectra support the hypothesis that Na + ions are predominantly localized in vacuoles and also to a lesser extent in the cytoplasm, e.g. in small vesicles, but not in other cell organelles. Furthermore the analysed cell compartments show differences in the distribution of Mg, P, S, Cl, K and Ca effected by the addition of NaCl to the growth medium. The X-ray data are discussed in relation to the physiological meaning of a NaCl induced redistribution of elements within individual maize root cells.

  16. Two time-dependent, focus-dependent experiments using the energy-dispersive spectrometer at LURE

    SciTech Connect

    Fontaine, A.; Baudelet, F.; Dartyge, E.; Guay, D. , Bat. 209d, F91405 Orsay Cedex ); Itie, J.P. , Bat. 209d, F91405 Orsay Cedex Laboratoire des Milieux Condenses Tour 14 Universite Paris VI-CNRS, F-75232 Paris ); Polian, A. ); Tolentino, H. , Bat. 209d, F91405 Orsay Cedex ); Tourillon, G. , Bat. 209d, F91405 Orsay Cedex )

    1992-01-01

    Rather than a brief review of what has been achieved at LURE (A. Fontaine, E. Dartyge, J. P. Itie, A. Polian, H. Tolentino, and G. Tourillon, {ital Topics} {ital in} {ital Current} {ital Chemistry} {bold 151}, (Springer, Berlin, 1989), Vol. 151) since 1985 with the fully dedicated, energy dispersive x-ray absorption fine structure beam line, we will present two classes of experiments plus a discussion on the present ultimate source of noise of our mechanical movement-free spectrometer. Moreover, the readers interested in this field, can find two other studies with the new born ports at Hamburg (M. Hagelstein, S. Cunis, R. Frahm, W. Niemann, and P. Rabe, Phys. B {bold 158}, 324 (1989)) and Daresbury (G. Baker, C. Richard, A. Catlow, J. Couves, A. J. Dent, G. Derbyshire, G. N. Greaves, and J. M. Thomas, XAFS VI York 1990). Related to this field are the quick extended x-ray absorption fine structure spectrometers developed initially at Hamburg under R. Frahm (R. Frahm, Nucl. Instrum. Methods A {bold 270}, 578 (1988)) and at LURE under P. Lagarde and C. Prietto (P. Lagarde, M. Lemonnier, and H. Dexpert, Physica B {bold 158}, 337 (1989)), which have been able in these two years to open new routes in a wide variety of science.

  17. Current-Temperature Scaling for a Schottky Interface with Nonparabolic Energy Dispersion

    NASA Astrophysics Data System (ADS)

    Ang, Y. S.; Ang, L. K.

    2016-09-01

    In this paper, we study the Schottky transport in a narrow-gap semiconductor and few-layer graphene in which the energy dispersions are highly nonparabolic. We propose that the contrasting current-temperature scaling relation of J ∝T2 in the conventional Schottky interface and J ∝T3 in graphene-based Schottky interface can be reconciled under Kane's k .p nonparabolic band model for narrow-gap semiconductors. Our model suggests a more general form of J ∝(T2+γ kBT3) , where the nonparabolicty parameter γ provides a smooth transition from T2 to T3 scaling. For few-layer graphene, we find that N -layer graphene with A B C stacking follows J ∝T2 /N +1 , while A B A stacking follows a universal form of J ∝T3 regardless of the number of layers. Intriguingly, the Richardson constant extracted from the Arrhenius plot using an incorrect scaling relation disagrees with the actual value by 2 orders of magnitude, suggesting that correct models must be used in order to extract important properties for many Schottky devices.

  18. Comparison of species-resolved energy spectra from ACE EPAM and Van Allen Probes RBSPICE

    NASA Astrophysics Data System (ADS)

    Patterson, J.; Manweiler, J. W.; Armstrong, T. P.; Lanzerotti, L. J.; Gerrard, A. J.; Gkioulidou, M.

    2013-12-01

    We present a comparison between energy spectra measured by the Advanced Composition Explorer (ACE) Electron Proton Alpha Monitor (EPAM) instrument and the Van Allen Probe Ion Composition Experiment (RBSPICE) for two significant and distinct events in early 2013. The first is an impulsive solar particle event on March 17th. While intense, this event presented no significant surprises in terms of its composition or anisotropy characteristics, thus providing a good baseline for response of the trapped radiation belts as observed by the Van Allen Probes. The second solar event occurred late May 22nd and early May 23rd. This event has a much greater concentration of medium and heavy ions than the St. Patrick's Day event, as well as having very peculiar energy spectra with evidence of two distinct populations. During the St. Patrick's Day Event, the energy spectra for helium, carbon, oxygen, neon, silicon, and iron all show the same spectral power law slope -3.1. The event shows strong anisotropy with intensities differing by a factor of four for both protons and Z>1 ions. The late May event also has strong anisotropy, and in the same directions as the St. Patrick's Day Event, but with very different composition and energy spectra. The spectra are much harder with power law spectral slopes of -0.5. Additionally, there is a significant spectral bump at 3 MeV/nuc for helium that is not present in the spectra of the heavier ions. The intensities of the heavier ions, however, show an increase that is an order of magnitude greater than the increase seen for helium. The March 17 RBSPICE observations show multiple injection events lasting for less than an hour each during the Van Allen Probes B apogees. These injections are seen in protons as well as Helium and only somewhat observed in Oxygen. Spectral slopes for the observations range from approximately -5 during quiet times to double peaked events with a spectral slope of approximately -2 at the beginning of the injection

  19. EVALUATION OF MIXING ENERGY IN FLASKS USED FOR DISPERSANT EFFECTIVENESS TESTING

    EPA Science Inventory

    A U.S. Environmental Protection Agency (EPA) laboratory screening protocol for dispersant effectiveness consists of placing water, oil, and a dispersant in a flask and mixing the contents on an orbital shaker. Two flasks are being investigated, a simple Erlenmeyer (used in EPA's...

  20. Förster resonance energy transfer rate in any dielectric nanophotonic medium with weak dispersion

    NASA Astrophysics Data System (ADS)

    Wubs, Martijn; Vos, Willem L.

    2016-05-01

    Motivated by the ongoing debate about nanophotonic control of Förster resonance energy transfer (FRET), notably by the local density of optical states (LDOS), we study FRET and spontaneous emission in arbitrary nanophotonic media with weak dispersion and weak absorption in the frequency overlap range of donor and acceptor. This system allows us to obtain the following two new insights. Firstly, we derive that the FRET rate only depends on the static part of the Green function. Hence, the FRET rate is independent of frequency, in contrast to spontaneous-emission rates and LDOS that are strongly frequency dependent in nanophotonic media. Therefore, the position-dependent FRET rate and the LDOS at the donor transition frequency are completely uncorrelated for any nondispersive medium. Secondly, we derive an exact expression for the FRET rate as a frequency integral of the imaginary part of the Green function. This leads to very accurate approximation for the FRET rate that features the LDOS that is integrated over a huge bandwidth ranging from zero frequency to far into the UV. We illustrate these general results for the analytic model system of a pair of ideal dipole emitters—donor and acceptor—in the vicinity of an ideal mirror. We find that the FRET rate is independent of the LDOS at the donor emission frequency. Moreover, we observe that the FRET rate hardly depends on the frequency-integrated LDOS. Nevertheless, the FRET is controlled between inhibition and 4×enhancement at distances close to the mirror, typically a few nm. Finally, we discuss the consequences of our results to applications of Förster resonance energy transfer, for instance in quantum information processing.

  1. Sequence-resolved free energy profiles of stress-bearing vimentin intermediate filaments.

    PubMed

    Ramm, Beatrice; Stigler, Johannes; Hinczewski, Michael; Thirumalai, D; Herrmann, Harald; Woehlke, Günther; Rief, Matthias

    2014-08-01

    Intermediate filaments (IFs) are key to the mechanical strength of metazoan cells. Their basic building blocks are dimeric coiled coils mediating hierarchical assembly of the full-length filaments. Here we use single-molecule force spectroscopy by optical tweezers to assess the folding and stability of coil 2B of the model IF protein vimentin. The coiled coil was unzipped from its N and C termini. When pulling from the C terminus, we observed that the coiled coil was resistant to force owing to the high stability of the C-terminal region. Pulling from the N terminus revealed that the N-terminal half is considerably less stable. The mechanical pulling assay is a unique tool to study and control seed formation and structure propagation of the coiled coil. We then used rigorous theory-based deconvolution for a model-free extraction of the energy landscape and local stability profiles. The data obtained from the two distinct pulling directions complement each other and reveal a tripartite stability of the coiled coil: a labile N-terminal half, followed by a medium stability section and a highly stable region at the far C-terminal end. The different stability regions provide important insight into the mechanics of IF assembly. PMID:25049381

  2. Sequence-resolved free energy profiles of stress-bearing vimentin intermediate filaments.

    PubMed

    Ramm, Beatrice; Stigler, Johannes; Hinczewski, Michael; Thirumalai, D; Herrmann, Harald; Woehlke, Günther; Rief, Matthias

    2014-08-01

    Intermediate filaments (IFs) are key to the mechanical strength of metazoan cells. Their basic building blocks are dimeric coiled coils mediating hierarchical assembly of the full-length filaments. Here we use single-molecule force spectroscopy by optical tweezers to assess the folding and stability of coil 2B of the model IF protein vimentin. The coiled coil was unzipped from its N and C termini. When pulling from the C terminus, we observed that the coiled coil was resistant to force owing to the high stability of the C-terminal region. Pulling from the N terminus revealed that the N-terminal half is considerably less stable. The mechanical pulling assay is a unique tool to study and control seed formation and structure propagation of the coiled coil. We then used rigorous theory-based deconvolution for a model-free extraction of the energy landscape and local stability profiles. The data obtained from the two distinct pulling directions complement each other and reveal a tripartite stability of the coiled coil: a labile N-terminal half, followed by a medium stability section and a highly stable region at the far C-terminal end. The different stability regions provide important insight into the mechanics of IF assembly.

  3. Level sequence and splitting identification of closely spaced energy levels by angle-resolved analysis of fluorescence light

    NASA Astrophysics Data System (ADS)

    Wu, Z. W.; Volotka, A. V.; Surzhykov, A.; Dong, C. Z.; Fritzsche, S.

    2016-06-01

    The angular distribution and linear polarization of the fluorescence light following the resonant photoexcitation is investigated within the framework of density matrix and second-order perturbation theory. Emphasis has been placed on "signatures" for determining the level sequence and splitting of intermediate (partially) overlapping resonances, if analyzed as a function of photon energy of incident light. Detailed computations within the multiconfiguration Dirac-Fock method have been performed, especially for the 1 s22 s22 p63 s ,Ji=1 /2 +γ1→(1s22 s 2 p63 s ) 13 p3 /2,J =1 /2 ,3 /2 →1 s22 s22 p63 s ,Jf=1 /2 +γ2 photoexcitation and subsequent fluorescence emission of atomic sodium. A remarkably strong dependence of the angular distribution and linear polarization of the γ2 fluorescence emission is found upon the level sequence and splitting of the intermediate (1s22 s 2 p63 s ) 13 p3 /2,J =1 /2 ,3 /2 overlapping resonances owing to their finite lifetime (linewidth). We therefore suggest that accurate measurements of the angular distribution and linear polarization might help identify the sequence and small splittings of closely spaced energy levels, even if they cannot be spectroscopically resolved.

  4. Laboratory implementation of edge illumination X-ray phase-contrast imaging with energy-resolved detectors

    NASA Astrophysics Data System (ADS)

    Diemoz, P. C.; Endrizzi, M.; Vittoria, F. A.; Hagen, C. K.; Kallon, G.; Basta, D.; Marenzana, M.; Delogu, P.; Vincenzi, A.; De Ruvo, L.; Spandre, G.; Brez, A.; Bellazzini, R.; Olivo, A.

    2015-03-01

    Edge illumination (EI) X-ray phase-contrast imaging (XPCI) has potential for applications in different fields of research, including materials science, non-destructive industrial testing, small-animal imaging, and medical imaging. One of its main advantages is the compatibility with laboratory equipment, in particular with conventional non-microfocal sources, which makes its exploitation in normal research laboratories possible. In this work, we demonstrate that the signal in laboratory implementations of EI can be correctly described with the use of the simplified geometrical optics. Besides enabling the derivation of simple expressions for the sensitivity and spatial resolution of a given EI setup, this model also highlights the EI's achromaticity. With the aim of improving image quality, as well as to take advantage of the fact that all energies in the spectrum contribute to the image contrast, we carried out EI acquisitions using a photon-counting energy-resolved detector. The obtained results demonstrate that this approach has great potential for future laboratory implementations of EI.

  5. On the possibility of ephedrine detection: time-resolved fluorescence resonance energy transfer (FRET)-based approach.

    PubMed

    Varriale, Antonio; Marzullo, Vincenzo Manuel; Di Giovanni, Stefano; Scala, Andrea; Capo, Alessandro; Majoli, Adelia; Pennacchio, Angela; Staiano, Maria; D'Auria, Sabato

    2016-09-01

    Ephedrine is one of the main precursor compounds used in the illegal production of amphetamines and related drugs. Actually, conventional analytical methods such as high-performance liquid chromatography (HPLC), capillary electrophoresis (CE), and gas chromatography-mass spectrometry (GC-MS) are used for the detection of ephedrine; sadly, these methods require qualified personnel and are time-consuming and expensive. In order to overcome these problems, in recent years, different methods have been developed based on the surface plasmon resonance (SPR) and electrochemical method. In this work, we present a simple, rapid, and effective method to detect the presence of ephedrine in solution, based on competitive fluorescence resonance energy transfer (FRET) assay. The antibody anti-ephedrine and ephedrine derivative were produced and labeled respectively, with two different fluorescent probes (donor and acceptor). The change in FRET signal intensity between donor and acceptor ephedrine compounds gives the possibility of detecting ephedrine traces of at least 0.81 ± 0.04 ppm (LOD). Graphical abstract A new Time-resolved Fluorescence Resonance Energy Transfer (FRET) assay for ephedrine detection. PMID:27395357

  6. How Consistent are Recent Variations in the Tropical Energy and Water Cycle Resolved by Satellite Measurements?

    NASA Technical Reports Server (NTRS)

    Robertson, F. R.; Lu, H.-I.

    2004-01-01

    One notable aspect of Earth's climate is that although the planet appears to be very close to radiative balance at top-of-atmosphere (TOA), the atmosphere itself and underlying surface are not. Profound exchanges of energy between the atmosphere and oceans, land and cryosphere occur over a range of time scales. Recent evidence from broadband satellite measurements suggests that even these TOA fluxes contain some detectable variations. Our ability to measure and reconstruct radiative fluxes at the surface and at the top of atmosphere is improving rapidly. One question is 'How consistent, physically, are these diverse remotely-sensed data sets'? The answer is of crucial importance to understanding climate processes, improving physical models, and improving remote sensing algorithms. In this work we will evaluate two recently released estimates of radiative fluxes, focusing primarily on surface estimates. The International Satellite Cloud Climatology Project 'FD' radiative flux profiles are available from mid-1983 to near present and have been constructed by driving the radiative transfer physics from the Goddard Institute for Space Studies (GISS) global model with ISCCP clouds and TOVS (TIROS Operational Vertical Sounder)thermodynamic profiles. Full and clear sky SW and LW fluxes are produced. A similar product from the NASA/GEWEX Surface Radiation Budget Project using different radiative flux codes and thermodynamics from the NASA/Goddard Earth Observing System (GEOS-1) assimilation model makes a similar calculation of surface fluxes. However this data set currently extends only through 1995. We also employ precipitation measurements from the Global Precipitation Climatology Project (GPCP) and the Tropical Rainfall Measuring Mission (TRMM). Finally, ocean evaporation estimates from the Special Sensor Microwave Imager (SSM/I) are considered as well as derived evaporation from the NCAR/NCEP Reanalysis. Additional information is included in the original extended

  7. Energy resolved actinometry for simultaneous measurement of atomic oxygen densities and local mean electron energies in radio-frequency driven plasmas

    SciTech Connect

    Greb, Arthur Niemi, Kari; O'Connell, Deborah; Gans, Timo

    2014-12-08

    A diagnostic method for the simultaneous determination of atomic oxygen densities and mean electron energies is demonstrated for an atmospheric pressure radio-frequency plasma jet. The proposed method is based on phase resolved optical emission measurements of the direct and dissociative electron-impact excitation dynamics of three distinct emission lines, namely, Ar 750.4 nm, O 777.4 nm, and O 844.6 nm. The energy dependence of these lines serves as basis for analysis by taking into account two line ratios. In this frame, the method is highly adaptable with regard to pressure and gas composition. Results are benchmarked against independent numerical simulations and two-photon absorption laser-induced fluorescence experiments.

  8. THE SAP3 COMPUTER PROGRAM FOR QUANTITATIVE MULTIELEMENT ANALYSIS BY ENERGY DISPERSIVE X-RAY FLUORESCENCE

    SciTech Connect

    Nielson, K. K.; Sanders, R. W.

    1982-04-01

    SAP3 is a dual-function FORTRAN computer program which performs peak analysis of energy-dispersive x-ray fluorescence spectra and then quantitatively interprets the results of the multielement analysis. It was written for mono- or bi-chromatic excitation as from an isotopic or secondary excitation source, and uses the separate incoherent and coherent backscatter intensities to define the bulk sample matrix composition. This composition is used in performing fundamental-parameter matrix corrections for self-absorption, enhancement, and particle-size effects, obviating the need for specific calibrations for a given sample matrix. The generalized calibration is based on a set of thin-film sensitivities, which are stored in a library disk file and used for all sample matrices and thicknesses. Peak overlap factors are also determined from the thin-film standards, and are stored in the library for calculating peak overlap corrections. A detailed description is given of the algorithms and program logic, and the program listing and flow charts are also provided. An auxiliary program, SPCAL, is also given for use in calibrating the backscatter intensities. SAP3 provides numerous analysis options via seventeen control switches which give flexibility in performing the calculations best suited to the sample and the user needs. User input may be limited to the name of the library, the analysis livetime, and the spectrum filename and location. Output includes all peak analysis information, matrix correction factors, and element concentrations, uncertainties and detection limits. Twenty-four elements are typically determined from a 1024-channel spectrum in one-to-two minutes using a PDP-11/34 computer operating under RSX-11M.

  9. Analysis of energy dispersive x-ray diffraction profiles for material identification, imaging and system control

    NASA Astrophysics Data System (ADS)

    Cook, Emily Jane

    2008-12-01

    This thesis presents the analysis of low angle X-ray scatter measurements taken with an energy dispersive system for substance identification, imaging and system control. Diffraction measurements were made on illicit drugs, which have pseudo- crystalline structures and thus produce diffraction patterns comprising a se ries of sharp peaks. Though the diffraction profiles of each drug are visually characteristic, automated detection systems require a substance identification algorithm, and multivariate analysis was selected as suitable. The software was trained with measured diffraction data from 60 samples covering 7 illicit drugs and 5 common cutting agents, collected with a range of statistical qual ities and used to predict the content of 7 unknown samples. In all cases the constituents were identified correctly and the contents predicted to within 15%. Soft tissues exhibit broad peaks in their diffraction patterns. Diffraction data were collected from formalin fixed breast tissue samples and used to gen erate images. Maximum contrast between healthy and suspicious regions was achieved using momentum transfer windows 1.04-1.10 and 1.84-1.90 nm_1. The resulting images had an average contrast of 24.6% and 38.9% compared to the corresponding transmission X-ray images (18.3%). The data was used to simulate the feedback for an adaptive imaging system and the ratio of the aforementioned momentum transfer regions found to be an excellent pa rameter. Investigation into the effects of formalin fixation on human breast tissue and animal tissue equivalents indicated that fixation in standard 10% buffered formalin does not alter the diffraction profiles of tissue in the mo mentum transfer regions examined, though 100% unbuffered formalin affects the profile of porcine muscle tissue (a substitute for glandular and tumourous tissue), though fat is unaffected.

  10. Micro energy dispersive X-ray fluorescence analysis of polychrome lead-glazed Portuguese faiences

    NASA Astrophysics Data System (ADS)

    Guilherme, A.; Pessanha, S.; Carvalho, M. L.; dos Santos, J. M. F.; Coroado, J.

    2010-04-01

    Several glazed ceramic pieces, originally produced in Coimbra (Portugal), were submitted to elemental analysis, having as premise the pigment manufacture production recognition. Although having been produced in Coimbra, their location changed as time passed due to historical reasons. A recent exhibition in Coimbra brought together a great number of these pieces and in situ micro Energy Dispersive X-ray Fluorescence (µ-EDXRF) analyses were performed in order to achieve some chemical and physical data on the manufacture of faiences in Coimbra. A non-commercial µ-EDXRF equipment for in situ analysis was employed in this work, carrying some important improvements when compared to the conventional ones, namely, analyzing spot sizes of about 100 µm diameter. The combination of a capillary X-ray lens with a new generation of low power microfocus X-ray tube and a drift chamber detector enabled a portable unit for micro-XRF with a few tens of µm lateral resolution. The advantages in using a portable system emphasized with polycapillary optics enabled to distinguish proximal different pigmented areas, as well as the glaze itself. These first scientific results on the pigment analysis of the collection of faiences seem to point to a unique production center with own techniques and raw materials. This conclusion arose with identification of the blue pigments having in its constitution Mn, Fe Co and As and the yellows as a result of the combination between Pb and Sb. A statistical treatment was used to reveal groups of similarities on the pigments elemental profile.

  11. DETERMINING NEUTRON STAR MASSES AND RADII USING ENERGY-RESOLVED WAVEFORMS OF X-RAY BURST OSCILLATIONS

    SciTech Connect

    Lo, Ka Ho; Lamb, Frederick K.; Miller, M. Coleman; Bhattacharyya, Sudip

    2013-10-10

    Simultaneous, precise measurements of the mass M and radius R of neutron stars can yield uniquely valuable information about the still uncertain properties of cold matter at several times the density of nuclear matter. One method that could be used to measure M and R is to analyze the energy-dependent waveforms of the X-ray flux oscillations seen during some thermonuclear bursts from some neutron stars. These oscillations are thought to be produced by X-ray emission from hotter regions on the surface of the star that are rotating at or near the spin frequency of the star. Here we explore how well M and R could be determined by generating and analyzing, using Bayesian techniques, synthetic energy-resolved X-ray data that we produce assuming a future space mission having 2-30 keV energy coverage and an effective area of 10 m{sup 2}, such as the proposed Large Observatory for X-Ray Timing or Advanced X-Ray Timing Array missions. We find that waveforms from hot spots within 10° of the rotation equator usually constrain both M and R with an uncertainty of about 10%, if there are 10{sup 6} total counts from the spot, whereas waveforms from spots within 20° of the rotation pole provide no useful constraints. The constraints we report can usually be achieved even if the burst oscillations vary with time and data from multiple bursts must be used to obtain 10{sup 6} counts from the hot spot. This is therefore a promising method to constrain M and R tightly enough to discriminate strongly between competing models of cold, high-density matter.

  12. Backscattered electron imaging and windowless energy dispersive x-ray microanalysis: a new technique for gallstone analysis

    SciTech Connect

    Kaufman, H.S.; Lillemoe, K.D.; Magnuson, T.H.; Frasca, P.; Pitt, H.A. )

    1990-12-01

    Scanning electron microscopy with or without conventional energy dispersive x-ray microanalysis is currently used to identify gallstone microstructure and inorganic composition. Organic calcium salts are among many biliary constituents thought to have a role in gallstone nidation and growth. However, current analytical techniques which identify these salts are destructive and compromise gallstone microstructural data. We have developed a new technique for gallstone analysis which provides simultaneous structural and compositional identification of calcium salts within gallstones. Backscattered electron imaging is used to localize calcium within cholesterol at minimum concentrations of 0.01%. Windowless energy dispersive x-ray microanalysis produces elemental spectra of gallstone calcium salts which are qualitatively and quantitatively different. These combined techniques provide simultaneous structural and compositional information obtained from intact gallstone cross-sections and have been used to identify calcium salts in gallstones obtained at cholecystectomy from 106 patients.

  13. Determination of calcium and iodine in gall bladder stone using energy dispersive X-ray fluorescence spectrometry

    NASA Astrophysics Data System (ADS)

    Ekinci, Neslihan; Şahin, Yusuf

    2002-01-01

    Energy dispersive X-ray fluorescence techniques were used to analyze gall bladder stones. Enrichment of Ca and I was observed in the gall bladder stone taken from a patient. The concentration of Ca has been determined with an annular 55Fe radioactive source and the concentration of I with an annular 241Am radioactive source using the standard addition method in 2π geometry. A Si(Li)-detector was used to measure Ca and I concentrations in the gall bladder stones.

  14. G protein-coupled receptor signaling analysis using homogenous time-resolved Förster resonance energy transfer (HTRF®) technology.

    PubMed

    Nørskov-Lauritsen, Lenea; Thomsen, Alex Rojas Bie; Bräuner-Osborne, Hans

    2014-01-01

    Studying multidimensional signaling of G protein-coupled receptors (GPCRs) in search of new and better treatments requires flexible, reliable and sensitive assays in high throughput screening (HTS) formats. Today, more than half of the detection techniques used in HTS are based on fluorescence, because of the high sensitivity and rich signal, but quenching, optical interferences and light scattering are serious drawbacks. In the 1990s the HTRF® (Cisbio Bioassays, Codolet, France) technology based on Förster resonance energy transfer (FRET) in a time-resolved homogeneous format was developed. This improved technology diminished the traditional drawbacks. The optimized protocol described here based on HTRF® technology was used to study the activation and signaling pathways of the calcium-sensing receptor, CaSR, a GPCR responsible for maintaining calcium homeostasis. Stimulation of the CaSR by agonists activated several pathways, which were detected by measuring accumulation of the second messengers D-myo-inositol 1-phosphate (IP1) and cyclic adenosine 3',5'-monophosphate (cAMP), and by measuring the phosphorylation of extracellular signal-regulated kinase 1 and 2 (ERK1/2). Here we show how an optimized HTRF® platform with numerous advantages compared to previous assays provides a substantial and robust mode of investigating GPCR signaling. It is furthermore discussed how these assays can be optimized and miniaturized to meet HTS requirements and for screening compound libraries.

  15. Computer simulation of the distribution of hexane in a lipid bilayer: spatially resolved free energy, entropy, and enthalpy profiles.

    PubMed

    MacCallum, Justin L; Tieleman, D Peter

    2006-01-11

    The partitioning behavior of small molecules in lipid bilayers is important in a variety of areas including membrane protein folding and pharmacology. However, the inhomogeneous nature of lipid bilayers on a nanometer length scale complicates experimental studies of membrane partitioning. To gain more insight in the partitioning of a small molecule into the lipid bilayer, we have carried out atomistic computer simulations of hexane in a dioleoyl phosphatidylcholine model membrane. We have been able to obtain spatially resolved free energy, entropy, enthalpy, and heat capacity profiles based on umbrella sampling calculations at three different temperatures. In agreement with experiment, hexane partitions preferentially to the center of the bilayer. This process is driven almost entirely by a favorable entropy change, consistent with the hydrophobic effect. In contrast, partitioning to the densest region of the acyl chains is dominated by a favorable enthalpy change with a small entropy change, which is consistent with the "nonclassical" hydrophobic effect or "bilayer" effect. We explain the features of the entropy and enthalpy profiles in terms of density and free volume in the system. PMID:16390139

  16. Interannual modulation of eddy kinetic energy in the northeastern South China Sea as revealed by an eddy-resolving OGCM

    NASA Astrophysics Data System (ADS)

    Sun, Zhongbin; Zhang, Zhiwei; Zhao, Wei; Tian, Jiwei

    2016-05-01

    Interannual modulation of eddy kinetic energy (EKE) in the northeastern South China Sea (NE-SCS) is investigated based on outputs of an eddy-resolving oceanic general circulation model between 1980 and 2014. The EKE displays distinct interannual modulations with periods between 1.5 and 7 years. The maximum peak-to-trough amplitude of the interannual modulation occurred during period 2004-2005, which was about 1.5-fold the time-mean EKE level. Further analysis suggested that interannual variability of EKE in the NE-SCS is primarily modulated by the Luzon Strait transport (LST). During high-EKE years, the LST increases corresponding to a strengthened Kuroshio intrusion. The strengthened Kuroshio intrusion enhances the baroclinic instability of current in the NE-SCS and thus leads to a strong EKE. The reverse is true during low-EKE years when LST is smaller. Influences of ENSO and Pacific mesoscale eddies on the interannual modulation of LST are also discussed in this study.

  17. Resolving the High-energy Universe with Strong Gravitational Lensing: The Case of PKS 1830–211

    NASA Astrophysics Data System (ADS)

    Barnacka, Anna; Geller, Margaret J.; Dell’Antonio, Ian P.; Benbow, Wystan

    2015-08-01

    Gravitational lensing is a potentially powerful tool for elucidating the origin of gamma-ray emission from distant sources. Cosmic lenses magnify the emission from distant sources and produce time delays between mirage images. Gravitationally induced time delays depend on the position of the emitting regions in the source plane. The Fermi/LAT telescope continuously monitors the entire sky and detects gamma-ray flares, including those from gravitationally lensed blazars. Therefore, temporal resolution at gamma-ray energies can be used to measure these time delays, which, in turn, can be used to resolve the origin of the gamma-ray flares spatially. We provide a guide to the application and Monte Carlo simulation of three techniques for analyzing these unresolved light curves: the autocorrelation function, the double power spectrum, and the maximum peak method. We apply these methods to derive time delays from the gamma-ray light curve of the gravitationally lensed blazar PKS 1830–211. The result of temporal analysis combined with the properties of the lens from radio observations yield an improvement in spatial resolution at gamma-ray energies by a factor of 10,000. We analyze four active periods. For two of these periods the emission is consistent with origination from the core, and for the other two the data suggest that the emission region is displaced from the core by more than ∼1.5 kpc. For the core emission, the gamma-ray time delays, 23+/- 0.5 {days} and 19.7+/- 1.2 days, are consistent with the radio time delay of {26}-5+4 days.

  18. Time-resolved characterization and energy balance analysis of implosion core in shock-ignition experiments at OMEGA

    SciTech Connect

    Florido, R. Mancini, R. C.; Nagayama, T.; Tommasini, R.; Delettrez, J. A.; Regan, S. P.

    2014-10-15

    Time-resolved temperature and density conditions in the core of shock-ignition implosions have been determined for the first time. The diagnostic method relies on the observation, with a streaked crystal spectrometer, of the signature of an Ar tracer added to the deuterium gas fill. The data analysis confirms the importance of the shell attenuation effect previously noted on time-integrated spectroscopic measurements of thick-wall targets [R. Florido et al., Phys. Rev. E 83, 066408 (2011)]. This effect must be taken into account in order to obtain reliable results. The extracted temperature and density time-histories are representative of the state of the core during the implosion deceleration and burning phases. As a consequence of the ignitor shock launched by the sharp intensity spike at the end of the laser pulse, observed average core electron temperature and mass density reach T ∼ 1100 eV and ρ ∼ 2 g/cm{sup 3}; then temperature drops to T ∼ 920 eV while density rises to ρ ∼ 3.4 g/cm{sup 3} about the time of peak compression. Compared to 1D hydrodynamic simulations, the experiment shows similar maximum temperatures and smaller densities. Simulations do not reproduce all observations. Differences are noted in the heating dynamics driven by the ignitor shock and the optical depth time-history of the compressed shell. Time-histories of core conditions extracted from spectroscopy show that the implosion can be interpreted as a two-stage polytropic process. Furthermore, an energy balance analysis of implosion core suggests an increase in total energy greater than what 1D hydrodynamic simulations predict. This new methodology can be implemented in other ICF experiments to look into implosion dynamics and help to understand the underlying physics.

  19. Time-resolved characterization and energy balance analysis of implosion core in shock-ignition experiments at OMEGA

    NASA Astrophysics Data System (ADS)

    Florido, R.; Mancini, R. C.; Nagayama, T.; Tommasini, R.; Delettrez, J. A.; Regan, S. P.

    2014-10-01

    Time-resolved temperature and density conditions in the core of shock-ignition implosions have been determined for the first time. The diagnostic method relies on the observation, with a streaked crystal spectrometer, of the signature of an Ar tracer added to the deuterium gas fill. The data analysis confirms the importance of the shell attenuation effect previously noted on time-integrated spectroscopic measurements of thick-wall targets [R. Florido et al., Phys. Rev. E 83, 066408 (2011)]. This effect must be taken into account in order to obtain reliable results. The extracted temperature and density time-histories are representative of the state of the core during the implosion deceleration and burning phases. As a consequence of the ignitor shock launched by the sharp intensity spike at the end of the laser pulse, observed average core electron temperature and mass density reach T ˜ 1100 eV and ρ ˜ 2 g/cm3; then temperature drops to T ˜ 920 eV while density rises to ρ ˜ 3.4 g/cm3 about the time of peak compression. Compared to 1D hydrodynamic simulations, the experiment shows similar maximum temperatures and smaller densities. Simulations do not reproduce all observations. Differences are noted in the heating dynamics driven by the ignitor shock and the optical depth time-history of the compressed shell. Time-histories of core conditions extracted from spectroscopy show that the implosion can be interpreted as a two-stage polytropic process. Furthermore, an energy balance analysis of implosion core suggests an increase in total energy greater than what 1D hydrodynamic simulations predict. This new methodology can be implemented in other ICF experiments to look into implosion dynamics and help to understand the underlying physics.

  20. In situ energy-dispersive X-ray diffraction for the synthesis optimization and scale-up of the porous zirconium terephthalate UiO-66.

    PubMed

    Ragon, Florence; Horcajada, Patricia; Chevreau, Hubert; Hwang, Young Kyu; Lee, U-Hwang; Miller, Stuart R; Devic, Thomas; Chang, Jong-San; Serre, Christian

    2014-03-01

    The synthesis optimization and scale-up of the benchmarked microporous zirconium terephthalate UiO-66(Zr) were investigated by evaluating the impact of several parameters (zirconium precursors, acidic conditions, addition of water, and temperature) over the kinetics of crystallization by time-resolved in situ energy-dispersive X-ray diffraction. Both the addition of hydrochloric acid and water were found to speed up the reaction. The use of the less acidic ZrOCl2·8H2O as the precursor seemed to be a suitable alternative to ZrCl4·xH2O, avoiding possible reproducibility issues as a consequence of the high hygroscopic character of ZrCl4. ZrOCl2·8H2O allowed the formation of smaller good quality UiO-66(Zr) submicronic particles, paving the way for their use within the nanotechnology domain, in addition to higher reaction yields, which makes this synthesis route suitable for the preparation of UiO-66(Zr) at a larger scale. In a final step, UiO-66(Zr) was prepared using conventional reflux conditions at the 0.5 kg scale, leading to a rather high space-time yield of 490 kg m(-3) day(-1), while keeping physicochemical properties similar to those obtained from smaller scale solvothermally prepared batches.

  1. Interface energy effect on the dispersion relation of nano-sized cylindrical piezoelectric/piezomagnetic composites.

    PubMed

    Fang, Xue-Qian; Liu, Yue; Liu, Xiang-Lin; Liu, Jin-Xi

    2015-02-01

    Interface between the constituents plays an important role in the non-destructive detection of smart piezoelectric/piezomagnetic devices. The propagation of SH waves in nano-sized cylindrically multiferroic composites consisting of a piezoelectric layer and a piezomagnetic central cylinder is investigated, and the size-dependent dispersion relation with interface effect is derived. The general solutions of decoupled governing equation in different regions are expressed by using Bessel functions, and the unknown coefficients are determined by satisfying the boundary conditions at the inner interface with negligible thickness and the outer surface of the structure. Through the numerical examples of dispersion relation, it is found that the interface around the nano-cylinder may remarkably reduce the phase velocity, depending on the combination of the value of thickness ratio and the surface condition. The interface shows different effect on the first and second modes of dispersion relation.

  2. EVALUATION OF MIXING ENERGY IN LABORATORY FLASKS USED FOR DISPERSANT EFFECTIVENESS TESTING

    EPA Science Inventory

    The evaluation of dispersant effectiveness used for oil spills is commonly done using tests conducted in laboratory flasks. The success of a test relies on replication of the conditions at sea. We used a hot wire anemometer to characterize the turbulence characteristics in the s...

  3. Spectrally resolved fluorescence lifetime imaging microscopy: Förster resonant energy transfer global analysis with a one- and two-exponential donor model

    NASA Astrophysics Data System (ADS)

    Strat, Daniela; Dolp, Frank; von Einem, Bjorn; Steinmetz, Cornelia; von Arnim, Christine A. F.; Rueck, Angelika

    2011-02-01

    In many fields of life science, visualization of spatial proximity, as an indicator of protein interactions in living cells, is of outstanding interest. A method to accomplish this is the measurement of Förster resonant energy transfer (FRET) by means of spectrally resolved fluorescence lifetime imaging microscopy. The fluorescence lifetime is calculated using a multiple-wavelength fitting routine. The donor profile is assumed first to have a monoexponential time-dependent behavior, and the acceptor decay profile is solved analytically. Later, the donor profile is assumed to have a two-exponential time-dependent behavior and the acceptor decay profile is derived analytically. We develop and apply a multispectral fluorescence lifetime imaging microscopy analysis system for FRET global analysis with time-resolved and spectrally resolved techniques, including information from donor and acceptor channels in contrast to using just a limited spectral data set from one detector only and a model accounting only for the donor signal. This analysis is used to demonstrate close vicinity of β-secretase (BACE) and GGA1, two proteins involved in Alzheimer's disease pathology. We attempt to verify if an improvement in calculating the donor lifetimes could be achieved when time-resolved and spectrally resolved techniques are simultaneously incorporated.

  4. Spin-resolved electron spectroscopies of epitaxial magnetite (001) (abstract)

    NASA Astrophysics Data System (ADS)

    Shaw, Kimberly A.; Lochner, Eric; Lind, David M.; DiBari, Rebecca C.; Stoyanov, Plamen; Singer, Brian

    1996-04-01

    We will present the first spin-resolving electron spectroscopic studies of a magnetite (Fe3O4)(001) surface. Magnetite is a semimetal with a high density of states in the minority band, but a large band gap in the majority states at the Fermi energy. The polarization of the secondary emission cascade is measured using spin-resolved secondary electron emission spectroscopy (SRSEES), and reflects the semimetallic spin structure of Fe3O4. The polarization plateau of spin-resolved secondary emission (29.8%) matches the average 3D band polarization of stoichiometric Fe3O4 as determined from spin-resolved band structure calculations (34.2%). An enhancement of the polarization of the secondary electrons at lowest energies will also be discussed. Spin-resolved Auger emission spectroscopy (SRAES) of the Fe3O4 films have been measured and show correlation effects in the valence-valence Auger transitions. Suppressed intensity and polarization of M23M45M45 Auger emission relative to M1M45M45 Auger emission is observed, as well as strong resonant emission with shake-up. Conversely, no spin polarization is detected in the spin-resolved oxygen LMM Auger features, although oxygen Auger emission (in which we can distinguish between adsorbed and bonded oxygen) is used to verify surface cleanliness of the samples. The synthesis of Fe3O4 films grown on magnesium oxide (001) substrates using oxygen plasma-assisted molecular beam epitaxy will be discussed, as will thin-film characterization using SQUID magnetometry and x-ray and electron diffraction. A unique angle-, energy-, and spin-resolved electron spectrometer has been designed and built for the study of magnetic surfaces, and these studies represent its' first use. That spectrometer is based on a tandem configuration of an energy-dispersive energy analyzer and Mott spin polarimeter.

  5. Activation energy distributions predicted by dispersive kinetic models for nucleation and denucleation: anomalous diffusion resulting from quantization.

    PubMed

    Skrdla, Peter J

    2011-06-23

    The activation energy distributions underpinning the two complementary dispersive kinetic models described by the author in a recent work (Skrdla, P. J. J. Phys. Chem. A 2009, 113, 9329) are derived and investigated. In the case of nucleation rate-limited conversions, which exhibit "acceleratory" sigmoidal transients (a kind of S-shaped stretched exponential conversion profile), an activation energy distribution visually similar to the Maxwell-Boltzmann (M-B) distribution is recovered, consistent with the original derivation of that model. In the case of predominantly "deceleratory" conversions, the activation energy distribution is skewed from normal in the opposite direction. While the "M-B-like" activation energy distribution supports the empirical observation of a rate enhancement as a function of the conversion time in nucleation rate-limited processes, the complementary distribution, with its pronounced low-energy tail, reflects a slow-down in the specific rate as the conversion progresses, consistent with experimentally observed denucleation rate-limited conversions. Activation energy distributions were also plotted for real-world data (Qu, H.; Louhi-Kultanen, M.; Kallas, J. Cryst. Growth Des. 2007, 7, 724), depicting the impact of various additives on the nucleation rate-limited kinetics of the solvent-mediated phase transformation of the crystalline drug carbamazepine. Last, by coupling the author's dispersive kinetic description of the time-dependent activation energy for nucleation to the classical description of the critical nucleus energy provided by the Kelvin equation, an accelerated hopping mechanism for the diffusion of monomers to the growing embryo surface was observed. That hopping mechanism was rationalized by modifying the Einstein-Smoluchowski (E-S) equation to allow it to describe the "supra-brownian" molecular motion thought to lie at the heart of nucleation kinetics.

  6. A Vinblastine Fluorescent Probe for Pregnane X Receptor in a Time-Resolved Fluorescence Resonance Energy Transfer Assay

    PubMed Central

    Lin, Wenwei; Chen, Taosheng

    2013-01-01

    The pregnane X receptor (PXR) regulates the metabolism and excretion of xenobiotics and endobiotics by regulating the expression of drug-metabolizing enzymes and transporters. The unique structure of PXR allows the binding of many drugs and drug leads to it, possibly causing undesired drug-drug interactions. Therefore, it is crucial to evaluate whether lead compounds bind to PXR. Fluorescence-based assays are preferred because of their sensitivity and non-radioactive nature. One fluorescent PXR probe is currently commercially available; however, because its chemical structure is not publicly disclosed, it is not optimal for studying ligand-PXR interactions. Here we report the characterization of BODIPY FL Vinblastine, generated by labeling vinblastine with the fluorophore 4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene (BODIPY FL), as a high-affinity ligand for human PXR with a Kd value of 673 nM. We provide evidence that BODIPY FL Vinblastine is a unique chemical entity different from either vinblastine or the fluorophore 4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene in its function as a high-affinity human PXR ligand. We describe a BODIPY FL Vinblastine-based human PXR Time-Resolved Fluorescence Resonance Energy Transfer assay, which was used to successfully test a panel of human PXR ligands. The BODIPY FL Vinblastine–based biochemical assay is suitable for high-throughput screening to evaluate whether lead compounds bind to PXR. PMID:24044991

  7. Rayleigh-wave dispersive energy imaging and mode separating by high-resolution linear Radon transform

    USGS Publications Warehouse

    Luo, Y.; Xu, Y.; Liu, Q.; Xia, J.

    2008-01-01

    In recent years, multichannel analysis of surface waves (MASW) has been increasingly used for obtaining vertical shear-wave velocity profiles within near-surface materials. MASW uses a multichannel recording approach to capture the time-variant, full-seismic wavefield where dispersive surface waves can be used to estimate near-surface S-wave velocity. The technique consists of (1) acquisition of broadband, high-frequency ground roll using a multichannel recording system; (2) efficient and accurate algorithms that allow the extraction and analysis of 1D Rayleigh-wave dispersion curves; (3) stable and efficient inversion algorithms for estimating S-wave velocity profiles; and (4) construction of the 2D S-wave velocity field map.

  8. New reference and test materials for the characterization of energy dispersive X-ray spectrometers at scanning electron microscopes.

    PubMed

    Rackwitz, Vanessa; Krumrey, Michael; Laubis, Christian; Scholze, Frank; Hodoroaba, Vasile-Dan

    2015-04-01

    Checking the performance of energy dispersive X-ray spectrometers as well as validation of the results obtained with energy dispersive X-ray spectrometry (EDX) at a scanning electron microscope (SEM) involve the use of (certified) reference and dedicated test materials. This paper gives an overview on the test materials mostly employed by SEM/EDX users and accredited laboratories as well as on those recommended in international standards. The new BAM reference material EDS-CRM, which is currently in the process of certification, is specifically designed for the characterization of EDS systems at a SEM through calibration of the spectrometer efficiency in analytical laboratories in a simple manner. The certification of the spectra by means of a reference EDS is described. The focus is on the traceability of EDS efficiency which is ensured by measurements of the absolute detection efficiency of silicon drift detectors (SDD) and Si(Li) detectors at the laboratory of the PTB using the electron storage ring BESSY II as a primary X-ray source standard. A new test material in development at BAM for testing the performance of an EDS in the energy range below 1 keV is also briefly presented.

  9. Cryogenic detectors based on superconducting transition-edge sensors for time-energy-resolved single-photon counters and for dark matter searches

    NASA Astrophysics Data System (ADS)

    Cabrera, B.; Clarke, R.; Miller, A.; Nam, S. W.; Romani, R.; Saab, T.; Young, B.

    2000-05-01

    We present the recent progress using transition-edge sensors (TES) for cryogenic particle detectors. First, by directly absorbing photons in tungsten TES devices, an instrument has been made which time stamps (0.1μs) and energy resolves (0.15 eV FWHM) each photon at rates up to 10 kHz. Observations of the Crab pulsar are the first broad spectrum infrared through full optical and time resolved on any astronomical object. Second, in the CDMS (cryogenic dark matter search) experiment looking for WIMPs, large crystals of silicon and germanium are instrumented with QET (quasiparticle-trap-assisted electrothermal-feedback transition-edge sensors) phonon sensors which provide the recoil energy and location in /x,y and /z for each event. Together with an ionization readout, these detectors provide powerful discrimination capabilities against known backgrounds and they are now probing new regions for WIMP dark matter.

  10. Angle-resolved photoemission spectroscopy with 9-eV photon-energy pulses generated in a gas-filled hollow-core photonic crystal fiber

    SciTech Connect

    Bromberger, H. Liu, H.; Chávez-Cervantes, M.; Gierz, I.; Ermolov, A.; Belli, F.; Abdolvand, A.; Russell, P. St. J.; Travers, J. C.; Calegari, F.; Li, M. T.; Lin, C. T.; Cavalleri, A.

    2015-08-31

    A recently developed source of ultraviolet radiation, based on optical soliton propagation in a gas-filled hollow-core photonic crystal fiber, is applied here to angle-resolved photoemission spectroscopy (ARPES). Near-infrared femtosecond pulses of only few μJ energy generate vacuum ultraviolet radiation between 5.5 and 9 eV inside the gas-filled fiber. These pulses are used to measure the band structure of the topological insulator Bi{sub 2}Se{sub 3} with a signal to noise ratio comparable to that obtained with high order harmonics from a gas jet. The two-order-of-magnitude gain in efficiency promises time-resolved ARPES measurements at repetition rates of hundreds of kHz or even MHz, with photon energies that cover the first Brillouin zone of most materials.

  11. An Energy Dispersive X-ray Spectroscopy Analysis of Elemental Changes of a Persimmon Phytobezoar Dissolved in Coca-Cola.

    PubMed

    Iwamuro, Masaya; Urata, Haruo; Higashi, Reiji; Nakagawa, Masahiro; Ishikawa, Shin; Shiraha, Hidenori; Okada, Hiroyuki

    2016-01-01

    To investigate the mechanism of phytobezoar dissolution by Coca-Cola(®), persimmon phytobezoar pieces removed from a 60-year-old Japanese woman were analyzed by energy dispersive X-ray spectroscopy. The amount of calcium significantly decreased after dissolution treatment using Coca-Cola(®), suggesting a potential contribution of calcium to dissolution mechanisms. Moreover, immersion in Coca-Cola(®) for 120 hours on the exterior surface revealed that Coca-Cola(®) did not permeate persimmon phytobezoars. This is the first study to investigate the mechanisms of persimmon phytobezoar permeability and dissolution induced by Coca-Cola(®).

  12. Benzyne-functionalized graphene and graphite characterized by Raman spectroscopy and energy dispersive X-ray analysis

    PubMed Central

    Magedov, Igor V.; Frolova, Lilia V.; Ovezmyradov, Mekan; Bethke, Donald; Shaner, Eric A.; Kalugin, Nikolai G.

    2012-01-01

    The benzyne functionalization of chemical vapor deposition grown large area graphene and graphite was performed using a mixture of o-trimethylsilylphenyl triflate and cesium fluoride that react with the carbon surface. The reaction requires at least 2 days of treatment before the appearance of Raman and energy-dispersive X-ray spectral signatures that verify modification. Raman spectra of modified graphene and graphite show a rich structure of lines corresponding to C=C-C, C-H, and low frequency modes of surface-attached benzyne rings. PMID:23505324

  13. Benzyne-functionalized graphene and graphite characterized by Raman spectroscopy and energy dispersive X-ray analysis.

    PubMed

    Magedov, Igor V; Frolova, Lilia V; Ovezmyradov, Mekan; Bethke, Donald; Shaner, Eric A; Kalugin, Nikolai G

    2013-04-01

    The benzyne functionalization of chemical vapor deposition grown large area graphene and graphite was performed using a mixture of o-trimethylsilylphenyl triflate and cesium fluoride that react with the carbon surface. The reaction requires at least 2 days of treatment before the appearance of Raman and energy-dispersive X-ray spectral signatures that verify modification. Raman spectra of modified graphene and graphite show a rich structure of lines corresponding to C=C-C, C-H, and low frequency modes of surface-attached benzyne rings.

  14. Energy transfer between amphiphilic porphyrin polymer shells and upconverting nanoparticle cores in water-dispersible nano-assemblies.

    PubMed

    Wu, T; Kaur, S; Branda, N R

    2015-02-28

    The synthesis of water-dispersible nano-assemblies containing upconverting nanoparticles (UCNPs) and porphyrin molecules using a one-pot method is described. When the nano-assemblies are excited by 980 nm near-infrared light, the intensity of the 'green emission' band of the UCNP is reduced due to a combination of Föster Resonace Energy Transfer (FRET) and emission-reabsorption. This process is also responsible for the emission from the porphyrin chromophores despite the fact they do not absorb near-infrared light.

  15. Dose-rate controlled energy dispersive x-ray spectroscopic mapping of the metallic components in a biohybrid nanosystem

    NASA Astrophysics Data System (ADS)

    Zhu, Yuanyuan; Munro, Catherine J.; Olszta, Matthew J.; Edwards, Danny J.; Braunschweig, Adam B.; Knecht, Marc R.; Browning, Nigel D.

    2016-08-01

    In this work, we showcase that through precise control of the electron dose rate, state-of-the-art large solid angle energy dispersive x-ray spectroscopy mapping in aberration-corrected scanning transmission electron microscope is capable of faithful and unambiguous chemical characterization of the Pt and Pd distribution in a peptide-mediated nanosystem. This low-dose-rate recording scheme adds another dimension of flexibility to the design of elemental mapping experiments, and holds significant potential for extending its application to a wide variety of beam sensitive hybrid nanostructures.

  16. A numerical model for multiple detector energy dispersive X-ray spectroscopy in the transmission electron microscope.

    PubMed

    Xu, W; Dycus, J H; Sang, X; LeBeau, J M

    2016-05-01

    Here we report a numerical approach to model a four quadrant energy dispersive X-ray spectrometer in the transmission electron microscope. The model includes detector geometries, specimen position and absorption, shadowing by the holder, and filtering by the Be carrier. We show that this comprehensive model accurately predicts absolute counts and intensity ratios as a function of specimen tilt and position. We directly compare the model to experimental results acquired with a FEI Super-X EDS four quadrant detector. The contribution from each detector to the sum is investigated. The program and source code can be downloaded from https://github.com/subangstrom/superAngle.

  17. A new background subtraction method for energy dispersive X-ray fluorescence spectra using a cubic spline interpolation

    NASA Astrophysics Data System (ADS)

    Yi, Longtao; Liu, Zhiguo; Wang, Kai; Chen, Man; Peng, Shiqi; Zhao, Weigang; He, Jialin; Zhao, Guangcui

    2015-03-01

    A new method is presented to subtract the background from the energy dispersive X-ray fluorescence (EDXRF) spectrum using a cubic spline interpolation. To accurately obtain interpolation nodes, a smooth fitting and a set of discriminant formulations were adopted. From these interpolation nodes, the background is estimated by a calculated cubic spline function. The method has been tested on spectra measured from a coin and an oil painting using a confocal MXRF setup. In addition, the method has been tested on an existing sample spectrum. The result confirms that the method can properly subtract the background.

  18. An Energy Dispersive X-ray Spectroscopy Analysis of Elemental Changes of a Persimmon Phytobezoar Dissolved in Coca-Cola.

    PubMed

    Iwamuro, Masaya; Urata, Haruo; Higashi, Reiji; Nakagawa, Masahiro; Ishikawa, Shin; Shiraha, Hidenori; Okada, Hiroyuki

    2016-01-01

    To investigate the mechanism of phytobezoar dissolution by Coca-Cola(®), persimmon phytobezoar pieces removed from a 60-year-old Japanese woman were analyzed by energy dispersive X-ray spectroscopy. The amount of calcium significantly decreased after dissolution treatment using Coca-Cola(®), suggesting a potential contribution of calcium to dissolution mechanisms. Moreover, immersion in Coca-Cola(®) for 120 hours on the exterior surface revealed that Coca-Cola(®) did not permeate persimmon phytobezoars. This is the first study to investigate the mechanisms of persimmon phytobezoar permeability and dissolution induced by Coca-Cola(®). PMID:27629955

  19. Determination of metal components in marine sediments using energy-dispersive X-ray fluorescence (ED-XRF) spectrometry.

    PubMed

    Tung, Joanne Wai Ting

    2004-11-01

    A rapid energy-dispersive X-ray fluorescence (ED-XRF) spectrometric method for the analysis of metal components of marine sediments has been presented. Calibrations were made using synthetic matrix. The agreement of the results for sediment standard reference materials with reference values is satisfactory. Major advantages of the non-destructive ED-XRF technique over conventional chemical digestion methods include the applicability to analyzing the major oxide components, as well as to trace metals, and the avoidance of hazardous chemicals. The method has been applied to the routine analysis of Hong Kong marine sediment.

  20. In situ multi-element analyses by energy-dispersive X-ray fluorescence on varnishes of historical violins

    NASA Astrophysics Data System (ADS)

    Echard, Jean-Philippe

    2004-10-01

    Varnishes of Italian violins and other historical stringed instruments have been analyzed by energy-dispersive X-ray fluorescence (EDXRF). The instruments whose varnishes were to be analyzed were chosen from the collection kept in Musée de la Musique in Paris. Direct analyses were performed on instrument varnishes, without any sampling and non-destructively, showing inorganic elements such as lead, mercury and iron that could be related to siccatives or pigments. Analytical results and their comparison with old formulae or traditional recipes of violin varnishes, as with the few previous analytical results, will be discussed.

  1. Discrimination of land-use types in a catchment by energy dispersive X-ray fluorescence and principal component analysis.

    PubMed

    Melquiades, F L; Andreoni, L F S; Thomaz, E L

    2013-07-01

    Differences in composition and chemical elemental concentration are important information for soil samples classification. The objective of this study is to present a direct methodology, that is non-destructive and without complex sample preparation, in order to discriminate different land-use types and soil degradation, employing energy dispersive X-ray fluorescence and multivariate analysis. Sample classification results from principal component analysis, utilizing spectral data and elemental concentration values demonstrate that the methodology is efficient to discriminate different land-use types.

  2. Engineering Strategies and Methods for Avoiding Air-Quality Externalities: Dispersion Modeling, Home Energy Conservation, and Scenario Planning

    NASA Astrophysics Data System (ADS)

    Knox, Andrew James

    Energy conservation can improve air quality by reducing emissions from fuel combustion. The human health value retained through better air quality can then offset the cost of energy conservation. Through this thesis' innovative yet widely-accessible combination of air pollution dispersion modeling and atmospheric chemistry, it is estimated that the health value retained by avoiding emissions from Ontario's former coal-fired generating stations is 5.74/MWh (using an upper-bound value of 265,000 per year of life lost). This value is combined with energy modeling of homes in the first-ever assessment of the air-quality health benefits of low-energy buildings. It is shown that avoided health damages can equal 7% of additional construction costs of energy efficient buildings in Ontario. At 7%, health savings are a significant item in the cost analysis of efficient buildings. Looking to energy efficiency in the context of likely future low-resource natural gas scenarios, building efficient buildings today is shown to be more economically efficient than any building retrofit option. Considering future natural gas scarcity in the context of Ontario's Long-Term Energy Plan reveals that Ontario may be forced to return to coal-fired electricity. Projected coal use would result in externalities greater than $600 million/year; 80% more than air-quality externalities from Ontario's electricity in 1985. Radically aggressive investment in electricity conservation (75% reduction per capita by 2075) is one promising path forward that keeps air-quality externalities below 1985 levels. Non-health externalities are an additional concern, the quantification, and ultimately monetization, of which could be practical using emerging air pollution monitoring technologies. Energy, conservation, energy planning, and energy's externalities form a complex situation in which today's decisions are critical to a successful future. It is clear that reducing the demand for energy is essential and

  3. A frequency-resolved cavity model (FRCM) for treating equilibrium and non-equilibrium solvation energies. 2: Evaluation of solvent reorganization energies

    NASA Astrophysics Data System (ADS)

    Newton, M. D.; Basilevsky, M. V.; Rostov, I. V.

    1998-06-01

    The frequency-resolved cavity model (FRCM), a generalized continuum reaction field model, which allows for distinct effective solute cavities pertaining to optical (op) and inertial (in) solvent response, has been implemented and applied to the evaluation of solvent reorganization energy ( Es) for a number of intramolecular electron transfer (ET) processes in polar media. Specifically, effective radii are defined for the solute atoms: r∞= κ· rvdW (where κ is taken as a universal scale factor) and rin= r∞+ δ (where δ is specific to a particular solvent). Optimal values of κ and δ are determined through the use of solvation free energy data for small atomic and molecular ions, together with the experimental estimates of solvation reorganization energy ( Es) for intramolecular ET in the steroid-based radical ions studied by Closs, Miller and co-workers [G.L. Closs, L.T. Calcaterra, N.J. Green, K.W. Penfield, J.R. Miller, J. Phys. Chem. 90 (1986) 3673; M.D. Johnson, J.R. Miller, N.S. Green, G.L. Closs, J. Phys. Chem. 93 (1989) 1173; J.R. Miller, B.P. Paulson, R. Bal, G.L. Closs, J. Phys. Chem. 99 (1995) 6923]. With these optimal parameters, Es is then evaluated for a number of other intramolecular ET processes, yielding results which are in generally good agreement with experimentally based estimates, and which give support for some of the assumptions employed in the analysis of the experimental data. Calculations with conventional solute atom radii ( r∞= rin, with κ=1.2 and δ=0) fitted to equilibrium solvation data yield Es values exceeding the FRCM results by factors of ≥2.

  4. Design and Performance of a TES X-ray Microcalorimeter Array for Energy Dispersive Spectroscopy on Scanning Transmission Electron Microscope

    NASA Astrophysics Data System (ADS)

    Muramatsu, Haruka; Nagayoshi, K.; Hayashi, T.; Sakai, K.; Yamamoto, R.; Mitsuda, K.; Yamasaki, N. Y.; Maehata, K.; Hara, T.

    2016-07-01

    We discuss the design and performance of a transition edge sensor (TES) X-ray microcalorimeter array for scanning transmission electron microscope (STEM)-energy dispersive X-ray spectroscopy (EDS). The TES X-ray microcalorimeter has better energy resolution compared to conventional silicon drift detector and STEM-EDS utilizing a TES detector makes it possible to map the distribution of elements on a specimen in addition to analyze the composition. The requirement for a TES detector is a high counting rate (>20 kcps), wide energy band (0.5-15 keV) and good energy resolution (<10 eV) full width at half maximum. The major improvement of this development is to increase the maximum counting rate. In order to accommodate the high counting rate, we adopted an 8 × 8 format, 64-pixel array and common biasing scheme for the readout method. We did all design and fabrication of the device in house. With the device we have fabricated most recently, the pulse decay time is 40 \\upmu s which is expected to achieve 50 kcps. For a single pixel, the measured energy resolution was 7.8 eV at 5.9 keV. This device satisfies the requirements of counting rate and energy resolution, although several issues remain where the performance must be confirmed.

  5. Study of soil aggregate breakdown dynamics under low dispersive ultrasonic energies with sedimentation and X-ray attenuation**

    PubMed Central

    Schomakers, Jasmin; Zehetner, Franz; Mentler, Axel; Ottner, Franz; Mayer, Herwig

    2016-01-01

    It has been increasingly recognized that soil organic matter stabilization is strongly controlled by physical binding within soil aggregates. It is therefore essential to measure soil aggregate stability reliably over a wide range of disruptive energies and different aggregate sizes. To this end, we tested high-accuracy ultrasonic dispersion in combination with subsequent sedimentation and X-ray attenuation. Three arable topsoils (notillage) from Central Europe were subjected to ultrasound at four different specific energy levels: 0.5, 6.7, 100 and 500 J cm−3, and the resulting suspensions were analyzed for aggregate size distribution by wet sieving (2 000-63 μm) and sedimentation/X-ray attenuation (63-2 μm). The combination of wet sieving and sedimentation technique allowed for a continuous analysis, at high resolution, of soil aggregate breakdown dynamics after defined energy inputs. Our results show that aggregate size distribution strongly varied with sonication energy input and soil type. The strongest effects were observed in the range of low specific energies (< 10 J cm−3), which previous studies have largely neglected. This shows that low ultrasonic energies are required to capture the full range of aggregate stability and release of soil organic matter upon aggregate breakdown. PMID:27099408

  6. In-situ synchrotron energy-dispersive x-ray diffraction study of thin Pd foils with Pd:D and Pd:H concentrations up to 1:1

    SciTech Connect

    Knies, D. L.; Grabowski, K. S.; Dominguez, D. D.; Qadri, S. B.; Hubler, G. K.; Violante, V.; Hu, J. Z.; He, J. H.

    2012-10-15

    Time resolved, in-situ, energy dispersive x-ray diffraction was performed in an electrolysis cell during electrochemical loading of palladium foil cathodes with hydrogen and deuterium. Concentrations of H:Pd (D:Pd) up to 1:1 in 0.1 M LiOH (LiOD) in H{sub 2}O (D{sub 2}O) electrolyte were obtained, as determined by both the Pd lattice parameter and cathode resistivity. In addition, some indications on the kinetics of loading and deloading of hydrogen from the Pd surface were obtained. The alpha-beta phase transformations were clearly delineated but no new phases at high concentration were determined.

  7. Portable energy dispersive X-ray fluorescence and X-ray diffraction and radiography system for archaeometry

    NASA Astrophysics Data System (ADS)

    Mendoza Cuevas, Ariadna; Perez Gravie, Homero

    2011-03-01

    Starting on a laboratory developed portable X-ray fluorescence (PXRF) spectrometer; three different analytical results can be performed: analysis of chemical elements, analysis of major chemical crystalline phase and structural analysis, which represents a contribution to a new, low cost development of portable X-ray analyzer; since these results are respectively obtained with independent equipments for X-ray fluorescence, X-ray diffraction and radiography. Detection limits of PXRF were characterized using standard reference materials for ceramics, glass, bronze and bones, which are the main materials requiring quantitative analysis in art and archeological objects. A setup for simultaneous energy dispersive X-ray fluorescence and diffraction (ED (XRF-XRD)) in the reflection mode has been tested for in situ and non-destructive analysis according to the requirements of art objects inspection. The system uses a single low power X-ray tube and an X-ray energy dispersive detector to measure X-ray diffraction spectrum at a fixed angle. Application to the identification of jadeite-jade mineral in archeological objects by XRD is presented. A local high resolution radiography image obtained with the same low power X-ray tube allows for studies in painting and archeological bones.

  8. Methodology toward 3D micro X-ray fluorescence imaging using an energy dispersive charge-coupled device detector.

    PubMed

    Garrevoet, Jan; Vekemans, Bart; Tack, Pieter; De Samber, Björn; Schmitz, Sylvia; Brenker, Frank E; Falkenberg, Gerald; Vincze, Laszlo

    2014-12-01

    A new three-dimensional (3D) micro X-ray fluorescence (μXRF) methodology based on a novel 2D energy dispersive CCD detector has been developed and evaluated at the P06 beamline of the Petra-III storage ring (DESY) in Hamburg, Germany. This method is based on the illumination of the investigated sample cross-section by a horizontally focused beam (vertical sheet beam) while fluorescent X-rays are detected perpendicularly to the sheet beam by a 2D energy dispersive (ED) CCD detector allowing the collection of 2D cross-sectional elemental images of a certain depth within the sample, limited only by signal self-absorption effects. 3D elemental information is obtained by a linear scan of the sample in the horizontal direction across the vertically oriented sheet beam and combining the detected cross-sectional images into a 3D elemental distribution data set. Results of the 3D μXRF analysis of mineral inclusions in natural deep Earth diamonds are presented to illustrate this new methodology. PMID:25346101

  9. One-loop omega-potential of quantum fields with ellipsoid constant-energy surface dispersion law

    NASA Astrophysics Data System (ADS)

    Kazinski, P. O.; Shipulya, M. A.

    2011-10-01

    Rapidly convergent expansions of a one-loop contribution to the partition function of quantum fields with ellipsoid constant-energy surface dispersion law are derived. The omega-potential is naturally decomposed into three parts: the quasiclassical contribution, the contribution from the branch cut of the dispersion law, and the oscillating part. The low- and high-temperature expansions of the quasiclassical part are obtained. An explicit expression and a relation of the contribution from the cut with the Casimir term and vacuum energy are established. The oscillating part is represented in the form of the Chowla-Selberg expansion of the Epstein zeta function. Various resummations of this expansion are considered. The general procedure developed is then applied to two models: massless particles in a box both at zero and nonzero chemical potential, and electrons in a thin metal film. Rapidly convergent expansions of the partition function and average particle number are obtained for these models. In particular, the oscillations of the chemical potential of conduction electrons in graphene and a thin metal film due to a variation of size of the crystal are described.

  10. Excitation relaxation dynamics and energy transfer in fucoxanthin-chlorophyll a/c-protein complexes, probed by time-resolved fluorescence.

    PubMed

    Akimoto, Seiji; Teshigahara, Ayaka; Yokono, Makio; Mimuro, Mamoru; Nagao, Ryo; Tomo, Tatsuya

    2014-09-01

    In algae, light-harvesting complexes contain specific chlorophylls (Chls) and keto-carotenoids; Chl a, Chl c, and fucoxanthin (Fx) in diatoms and brown algae; Chl a, Chl c, and peridinin in photosynthetic dinoflagellates; and Chl a, Chl b, and siphonaxanthin in green algae. The Fx-Chl a/c-protein (FCP) complex from the diatom Chaetoceros gracilis contains Chl c1, Chl c2, and the keto-carotenoid, Fx, as antenna pigments, in addition to Chl a. In the present study, we investigated energy transfer in the FCP complex associated with photosystem II (FCPII) of C. gracilis. For these investigations, we analyzed time-resolved fluorescence spectra, fluorescence rise and decay curves, and time-resolved fluorescence anisotropy data. Chl a exhibited different energy forms with fluorescence peaks ranging from 677 nm to 688 nm. Fx transferred excitation energy to lower-energy Chl a with a time constant of 300fs. Chl c transferred excitation energy to Chl a with time constants of 500-600fs (intra-complex transfer), 600-700fs (intra-complex transfer), and 4-6ps (inter-complex transfer). The latter process made a greater contribution to total Chl c-to-Chl a transfer in intact cells of C. gracilis than in the isolated FCPII complexes. The lower-energy Chl a received excitation energy from Fx and transferred the energy to higher-energy Chl a. This article is part of a special issue entitled: photosynthesis research for sustainability: keys to produce clean energy.

  11. Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies.

    PubMed

    Horn, Paul R; Mao, Yuezhi; Head-Gordon, Martin

    2016-03-21

    In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms for test cases that include the neon dimer, ammonia borane, water-Na(+), water-Cl(-), and the naphthalene dimer. PMID:27004862

  12. Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies

    NASA Astrophysics Data System (ADS)

    Horn, Paul R.; Mao, Yuezhi; Head-Gordon, Martin

    2016-03-01

    In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms for test cases that include the neon dimer, ammonia borane, water-Na+, water-Cl-, and the naphthalene dimer.

  13. Staggered magnetization and low-energy magnon dispersion in the multiferroic skyrmion host Cu2OSeO3

    NASA Astrophysics Data System (ADS)

    Marcus, Guy G.; Trump, Benjamin A.; Kindervater, Jonas; Jones, Lacy L.; Stone, Matthew B.; McQueen, Tyrel M.; Broholm, Collin L.

    We present neutron diffraction and inelastic scattering of the insulating helimagnet, Cu2OSeO3 which provide evidence for staggered magnetization and elucidate the associated low-energy magnon spectrum. The modulation wavelength of approximately λ ~ 50 nm detected at antiferromagnetic Bragg points is of the same length scale as previously reported for the skyrmion lattice. This superstructure evidences the composite nature of the spin-1 tetrahedra that form the topological magnetic structure of the material. To understand the interplay of ferrimagnetism and long wavelength modulated magnetism, we have performed inelastic neutron scattering on a co-aligned sample of chemical vapor transport grown single crystals. We shall present the low-energy magnon dispersion and infer an effective spin Hamiltonian to account for the long-wavelength, low-energy magnetism of Cu2OSeO3. The work at IQM was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Material Sciences and Engineering, under Grant No. DEFG02-08ER46544. GGM also acknowledges support from the NSF-GRFP Grant No. DGE-1232825.

  14. A BOINC based, citizen-science project for pixel spectral energy distribution fitting of resolved galaxies in multi-wavelength surveys

    NASA Astrophysics Data System (ADS)

    Vinsen, Kevin; Thilker, David

    2013-11-01

    In this work we present our experience from the first year of theSkyNet Pan-STARRS1 Optical Galaxy Survey (POGS) project. This citizen-scientist driven research project uses the Berkeley Open Infrastructure for Network Computing (BOINC) middleware and thousands of Internet-connected computers to measure the resolved galactic structural properties of ˜100,000 low redshift galaxies. We are combining the spectral coverage of GALEX, Pan-STARRS1, SDSS, and WISE to generate a value-added, multi-wavelength UV-optical-NIR galaxy atlas for the nearby Universe. Specifically, we are measuring physical parameters (such as local stellar mass, star formation rate, and first-order star formation history) on a resolved pixel-by-pixel basis using spectral energy distribution (SED) fitting techniques in a distributed computing mode. Berkeley Open Infrastructure for Network Computing.

  15. Improving radiation dose efficiency of X-ray differential phase contrast imaging using an energy-resolving grating interferometer and a novel rank constraint.

    PubMed

    Ge, Yongshuai; Zhang, Ran; Li, Ke; Chen, Guang-Hong

    2016-06-13

    In this paper, a novel method was developed to improve the radiation dose efficiency, viz., contrast to noise ratio normalized by dose (CNRD), of the grating-based X-ray differential phase contrast (DPC) imaging system that is integrated with an energy-resolving photon counting detector. The method exploits the low-dimensionality of the spatial-spectral DPC image matrix acquired from different energy windows. A low rank approximation of the spatial-spectral image matrix was developed to reduce image noise while retaining the DPC signal accuracy for every energy window. Numerical simulations and experimental phantom studies have been performed to validate the proposed method by showing noise reduction and CNRD improvement for each energy window.

  16. Differences in excitation energy transfer of Arthrospira platensis cells grown in seawater medium and freshwater medium, probed by time-resolved fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Arba, Muhammad; Aikawa, Shimpei; Niki, Kenta; Yokono, Makio; Kondo, Akihiko; Akimoto, Seiji

    2013-11-01

    Excitation energy transfer of Arthrospira platensis cells grown in f/2 medium (a high salinity medium) and SOT medium (a control) was investigated by steady-state and time-resolved spectroscopies. Growth in f/2 medium induced changes in absorption and fluorescence spectra as well as in the energy transfer pathways. Excitation energy captured by phycobilisome (PBS) was transferred directly to photosystem (PS) I, instead of being first transferred to an intermediate (PBS → PSII → PSI), as observed in SOT medium. The respiration rate increased while photosynthetic rate reduced in f/2 medium. Possible causes of the differences in light-harvesting and energy-transfer processes between the two media are discussed.

  17. Energy-dispersive neutron imaging and diffraction of magnetically driven twins in a Ni2MnGa single crystal magnetic shape memory alloy

    NASA Astrophysics Data System (ADS)

    Kabra, Saurabh; Kelleher, Joe; Kockelmann, Winfried; Gutmann, Matthias; Tremsin, Anton

    2016-09-01

    Single crystals of a partially twinned magnetic shape memory alloy, Ni2MnGa, were imaged using neutron diffraction and energy-resolved imaging techniques at the ISIS spallation neutron source. Single crystal neutron diffraction showed that the crystal produces two twin variants with a specific crystallographic relationship. Transmission images were captured using a time of flight MCP/Timepix neutron counting detector. The twinned and untwinned regions were clearly distinguishable in images corresponding to narrow-energy transmission images. Further, the spatially-resolved transmission spectra were used to elucidate the orientations of the crystallites in the different volumes of the crystal.

  18. RESOLVE Project

    NASA Technical Reports Server (NTRS)

    Parker, Ray; Coan, Mary; Cryderman, Kate; Captain, Janine

    2013-01-01

    The RESOLVE project is a lunar prospecting mission whose primary goal is to characterize water and other volatiles in lunar regolith. The Lunar Advanced Volatiles Analysis (LAVA) subsystem is comprised of a fluid subsystem that transports flow to the gas chromatograph - mass spectrometer (GC-MS) instruments that characterize volatiles and the Water Droplet Demonstration (WDD) that will capture and display water condensation in the gas stream. The LAVA Engineering Test Unit (ETU) is undergoing risk reduction testing this summer and fall within a vacuum chamber to understand and characterize component and integrated system performance. Testing of line heaters, printed circuit heaters, pressure transducers, temperature sensors, regulators, and valves in atmospheric and vacuum environments was done. Test procedures were developed to guide experimental tests and test reports to analyze and draw conclusions from the data. In addition, knowledge and experience was gained with preparing a vacuum chamber with fluid and electrical connections. Further testing will include integrated testing of the fluid subsystem with the gas supply system, near-infrared spectrometer, WDD, Sample Delivery System, and GC-MS in the vacuum chamber. This testing will provide hands-on exposure to a flight forward spaceflight subsystem, the processes associated with testing equipment in a vacuum chamber, and experience working in a laboratory setting. Examples of specific analysis conducted include: pneumatic analysis to calculate the WDD's efficiency at extracting water vapor from the gas stream to form condensation; thermal analysis of the conduction and radiation along a line connecting two thermal masses; and proportional-integral-derivative (PID) heater control analysis. Since LAVA is a scientific subsystem, the near-infrared spectrometer and GC-MS instruments will be tested during the ETU testing phase.

  19. Improved dissolution and pharmacokinetic behavior of cyclosporine A using high-energy amorphous solid dispersion approach.

    PubMed

    Onoue, Satomi; Sato, Hideyuki; Ogawa, Kumiko; Kawabata, Yohei; Mizumoto, Takahiro; Yuminoki, Kayo; Hashimoto, Naofumi; Yamada, Shizuo

    2010-10-31

    The aim of the present investigation is to develop solid dispersion (SD) formulations of cyclosporine A (CsA) for improving the oral bioavailability of CsA. Amorphous SDs of CsA with eight hydrophilic polymers were prepared with wet-mill employing zirconia beads. The physicochemical properties were characterized with a focus on morphology, crystallinity, thermal behavior, dissolution, and interaction of CsA with co-existing polymer. Although CsA molecules were found to be amorphous in all wet-milled formulations, some SD formulations failed to improve the dissolution. Of all CsA formulations, SD using polymer with HPC(SSL) exhibited the largest improvement in dissolution behavior. Pharmacokinetic profiling of orally dosed CsA in rats was carried out using UPLC/ESI-MS. After the oral administration of HPC(SSL)-based SD, enhanced CsA exposure was observed with increases in C(max) and AUC of ca. 5-fold, and the variation in AUC was ca. 40% less than that of amorphous CsA. Infrared spectroscopic studies suggested an interaction between CsA and HPC(SSL), as evidenced by the conformational transition of CsA. From the improved dissolution and pharmacokinetic data, the amorphous SD approach using wet-milling technology should lead to consistent and enhanced bioavailability, leading to an improved therapeutic potential of CsA. PMID:20705124

  20. Energy-dispersive X-ray fluorescence analysis of moss and soil from abandoned mining of Pb-Zn ores.

    PubMed

    Koz, B

    2014-09-01

    This research investigates heavy metal pollution around one of the most important mining areas in Turkey, the Sebinkarahisar (Giresun) lead-zinc mining, by means of analyzing moss and soil samples collected in the neighborhood of the copper mining at different distances. Energy dispersive X-ray fluorescence spectrometry (Epsilon 5, PANalytical, Almelo, The Netherlands) is utilized in the experiments. The results have indicated that the both moss and soil samples contain aluminum, vanadium, chromium, manganese, iron, nickel, copper, zinc, arsenic, barium, cerium, tungsten, and lead. The comparison of the heavy metal concentrations with the typical measurements in the world and with the limit values for the human health has revealed the critical heavy metal pollution levels in the region. The possible consequences of these results are briefly discussed from the point of potential hazards to ecology and human health.

  1. An alternative scheme of angular-dispersion analyzers for high-resolution medium-energy inelastic X-ray scattering.

    PubMed

    Huang, Xian Rong

    2011-11-01

    The development of medium-energy inelastic X-ray scattering optics with meV and sub-meV resolution has attracted considerable efforts in recent years. Meanwhile, there are also concerns or debates about the fundamental and feasibility of the involved schemes. Here the central optical component, the back-reflection angular-dispersion monochromator or analyzer, is analyzed. The results show that the multiple-beam diffraction effect together with transmission-induced absorption can noticeably reduce the diffraction efficiency, although it may not be a fatal threat. In order to improve the efficiency, a simple four-bounce analyzer is proposed that completely avoids these two adverse effects. The new scheme is illustrated to be a feasible alternative approach for developing meV- to sub-meV-resolution inelastic X-ray scattering spectroscopy.

  2. Analysis of aqueous and organic fission-product solutions by energy-dispersive x-ray fluorescence

    SciTech Connect

    Brooksbank, R.D.; Stewart, J.H. Jr.

    1981-01-01

    Because of a revival of interest in reprocessing spent nuclear reactor fuel, ORNL is re-evaluating existing data on extractions. Organic degradation products and new organic extractant systems must also be investigated. Analysis of these solutions present several problems for the analytical chemist. Conventional wet chemical techniques usually require aqueous solutions. Organic solutions must be stripped or wet ashed to convert them to an aqueous system. Stripping is not always quantitative, and the high phosphorus content of organic extractants makes wet ashing difficult. Radiolysis degrades many organic solutions. In aqueous solutions, low acid concentrations cause Pu to polymerize and Zr and Mo to form colloids or precipitate; therefore, sample pretreatment becomes necessary. Energy dispersive x-ray fluorescence (XRF) is a multi-element technique, unaffected by chemical states, capable of analyzing both aqueous and organic solutions. Thie technique has been applied to the determination of U, Pu, Th, Mo, Zr and Re in cold flow sheet development.

  3. Trace elemental analysis of school chalk using energy dispersive X-ray florescence spectroscopy (ED-XRF)

    NASA Astrophysics Data System (ADS)

    Maruthi, Y. A.; Das, N. Lakshmana; Ramprasad, S.; Ram, S. S.; Sudarshan, M.

    2015-08-01

    The present studies focus the quantitative analysis of elements in school chalk to ensure the safety of its use. The elements like Calcium (Ca), Aluminum (Al), Iron (Fe), Silicon (Si) and Chromium (Cr) were analyzed from settled chalk dust samples collected from five classrooms (CD-1) and also from another set of unused chalk samples collected from local market (CD-2) using Energy Dispersive X-Ray florescence(ED-XRF) spectroscopy. Presence of these elements in significant concentrations in school chalk confirmed that, it is an irritant and occupational hazard. It is suggested to use protective equipments like filtered mask for mouth, nose and chalk holders. This study also suggested using the advanced mode of techniques like Digital boards, marker boards and power point presentations to mitigate the occupational hazard for classroom chalk

  4. Energy dispersive X-ray spectroscopy analysis of Si sidewall surface etched by deep-reactive ion etching

    NASA Astrophysics Data System (ADS)

    Matsutani, Akihiro; Nishioka, Kunio; Sato, Mina

    2016-06-01

    We investigated the composition of a passivation film on a sidewall etched by deep-reactive ion etching (RIE) using SF6/O2 and C4F8 plasma, by energy-dispersive X-ray (EDX) spectroscopy. It was found that the compositions of carbon and fluorine in the passivation film on the etched sidewall depend on the width and depth of the etched trench. It is important to understand both the plasma behavior and the passivation film composition to carry out fabrication by deep-RIE. We consider that these results of the EDX analysis of an etched sidewall will be useful for understanding plasma behavior in order to optimize the process conditions of deep-RIE.

  5. Energy dispersive x-ray analysis of the cornea. Application to paraffin sections of normal and diseased corneas

    SciTech Connect

    Robinson, M.R.; Streeten, B.W.

    1984-11-01

    The distribution of chemical elements in the normal human cornea was studied by energy dispersive x-ray analysis and scanning electron microscopy of routinely prepared paraffin sections. Calcium, phosphorus, and sulfur were consistently present in quantities above background and varied in concentration regionally. Analysis of fresh-frozen tissue, an approximation of the in vivo state, gave a similar elemental profile to paraffin sections, except for the loss of diffusable electrolytes in the latter. After fixation, S was the most abundant element and was highest in Descemet's membrane. Corneas with granular, lattice, macular, and Fuchs endothelial dystrophies, band keratopathy, and spheroidal degeneration were also examined. Characteristic patterns of abnormal S and Ca distribution were found in each of the dystrophies. The relative proportions of Ca, P, and S gave diagnostic profiles for distinguishing band keratopathy and spheroidal degeneration.

  6. [Line scanning analysis of white porcelain from Gong Kiln in early Tang dynasty by energy disperse X-ray fluorescence].

    PubMed

    Ling, Xue; Mao, Zhen-wei; Feng, Min; Hu, Yao-wu; Wang, Chang-sui; Liu, Hong-miao

    2005-07-01

    Gong kiln, for its long porcelain-firing history, was one of three representative white porcelain kilns in northern China. In order to improve the quality and whiteness of white porcelain, a decorating layer or cosmetic earth was laid on the body surface in Gong kiln during early Tang dynasty, which was able to blot out rough surface and weaken the influence of fuscous body upon surface color. In this paper the main chemical composition of the white porcelain's profile was analyzed by using energy disperse X-Ray fluorescence. The result showed that different materials were used as cosmetic earth during early Tang dynasty, in accordance with the phenomenon under optical microscope. In addition, the glaze belongs to calcium glaze in which plant ash was added.

  7. Trace elemental analysis of school chalk using energy dispersive X-ray florescence spectroscopy (ED-XRF)

    SciTech Connect

    Maruthi, Y. A.; Das, N. Lakshmana; Ramprasad, S.; Ram, S. S.; Sudarshan, M.

    2015-08-28

    The present studies focus the quantitative analysis of elements in school chalk to ensure the safety of its use. The elements like Calcium (Ca), Aluminum (Al), Iron (Fe), Silicon (Si) and Chromium (Cr) were analyzed from settled chalk dust samples collected from five classrooms (CD-1) and also from another set of unused chalk samples collected from local market (CD-2) using Energy Dispersive X-Ray florescence(ED-XRF) spectroscopy. Presence of these elements in significant concentrations in school chalk confirmed that, it is an irritant and occupational hazard. It is suggested to use protective equipments like filtered mask for mouth, nose and chalk holders. This study also suggested using the advanced mode of techniques like Digital boards, marker boards and power point presentations to mitigate the occupational hazard for classroom chalk.

  8. Non-destructive analysis of didymium and praseodymium molybdate crystals using energy dispersive X-ray fluorescence technique

    NASA Astrophysics Data System (ADS)

    Bhat, C. K.; Joseph, Daisy; Pandita, Sanjay; Kotru, P. N.

    2016-08-01

    Analysis of didymium (Di) and praseodymium molybdate crystals were carried out using energy dispersive X-ray fluorescence (EDXRF). The assigned empirical chemical formulae of the composites were tested and verified by the EDXRF technique by estimating experimental major elemental concentration ratios. On the Basis of these ratios, the established formulae for some of the composite materials have been verified and suggestions made for their refinement. Non-destructive technique used in this analysis enables to retain the original crystal samples and makes rapid simultaneous scan of major elements such as La, Pr, Ned and Mo as well as impurities such as Ce. Absence of samarium(Sm) in the spectrum during analysis of didymium molybdate crystals indicated an incomplete growth of mixed rare earth single crystal. These crystals (e.g.,Di) are shown to be of modified stoichiometry with Ce as trace impurity.

  9. Dendrochemical patterns of calcium, zinc, and potassium related to internal factors detected by energy dispersive X-ray fluorescence (EDXRF)

    USGS Publications Warehouse

    Smith, Kevin T.; Balouet, Jean Christophe; Shortle, Walter C.; Chalot, Michel; Beaujard, François; Grudd, Håkan; Vroblesky, Don A.; Burkem, Joel G.

    2014-01-01

    Energy dispersive X-ray fluorescence (EDXRF) provides highly sensitive and precise spatial resolution of cation content in individual annual growth rings in trees. The sensitivity and precision have prompted successful applications to forensic dendrochemistry and the timing of environmental releases of contaminants. These applications have highlighted the need to distinguish dendrochemical effects of internal processes from environmental contamination. Calcium, potassium, and zinc are three marker cations that illustrate the influence of these processes. We found changes in cation chemistry in tree rings potentially due to biomineralization, development of cracks or checks, heartwood/sapwood differentiation, intra-annual processes, and compartmentalization of infection. Distinguishing internal from external processes that affect dendrochemistry will enhance the value of EDXRF for both physiological and forensic investigations.

  10. Low-cost virtual instrumentation system of an energy-dispersive X-ray spectrometer for a scanning electron microscope

    PubMed Central

    Lei, Junfeng; Zeng, Libo; Liu, Ronggui; Liu, Juntang; Zhang, Zelan

    2002-01-01

    The paper describes an energy-dispersive X-ray spectrometer for a scanning electron microscope (SEM-EDXS). It was constructed using the new architecture of a virtual instrument (VI), which is low-cost, space-saving, fast and flexible way to develop the instrument. Computer-aided teaching (CAT) was used to develop the instrument and operation rather than a traditional instrument technique. The VI was designed using the object-oriented program language C++ and compact programmable logical devices (CPLD). These include spectra collection and processing, quantitative analysis and X-ray-intensity distribution analysis. The procedure is described in detail. The VI system gives an e¡ective and user-friendly human interface for the whole analytical task. Some examples are described. PMID:18924732

  11. Sodium lauryl sulfate enhances nickel penetration through guinea-pig skin. Studies with energy dispersive X-ray microanalysis

    SciTech Connect

    Lindberg, M.; Sagstroem, S.R.; Roomans, G.M.; Forslind, B.

    1989-03-01

    The effect of sodium lauryl sulphate (SLS), a common ingredient of detergents, on the penetration of nickel through the stratum corneum in the guinea-pig skin model was studied with energy dispersive X-ray microanalysis (EDX) to evaluate the barrier-damaging properties of this common detergent. The EDX technique allows a simultaneous determination of physiologically important elements, e.g., Na, Mg, P, Cl, K, Ca and S in addition to Ni at each point of measurement in epidermal cell strata. Our results show that SLS reduces the barrier function to Ni-ion penetration of the stratum corneum. In addition we have shown that EDX allows analysis of the influence of different factors involved in nickel penetration through the skin by giving data on the physiological effects on the epidermal cells caused by the applied substances.

  12. Rotationally resolved vibrational spectra of AsH3 (+)X̃(2)A2 (″): Tunneling splittings studied by zero-kinetic-energy photoelectron spectroscopy.

    PubMed

    Sun, Wei; Dai, Zuyang; Wang, Jia; Mo, Yuxiang

    2016-06-21

    The rotationally resolved vibrational spectra of AsH3 (+)X̃(2)A2 (″) have been measured for the first time with vibrational energies up to 6000 cm(-1) above the ground state using the zero-kinetic-energy photoelectron method. The symmetric inversion vibrational energy levels (v2 (+)) and the corresponding rotational constants for v2 (+)=0-15 have been determined. The tunneling splittings of the inversion vibration energy levels have been observed and are 0.8 and 37.7 (±0.5) cm(-1) for the ground and the first excited vibrational states, respectively. The first adiabatic ionization energy for AsH3 was determined as 79 243.3 ± 1 cm(-1). The geometric parameters of AsH3 (+)X̃(2)A2 (″) as a function of inversion vibrational numbers have been determined, indicating that the geometric structure of the cation changes from near-planar to pyramidal with increasing inversion vibrational excitation. In addition to the experimental measurements, a two-dimensional theoretical calculation considering the two symmetric vibrational modes was performed to determine the energy levels of the symmetric inversion, which are in good agreement with the experimental results. The inversion vibrational energy levels of SbH3 (+)X̃(2)A2 (″) have also been calculated and are found to have much smaller energy splittings than those of AsH3 (+)X̃(2)A2 (″).

  13. Rotationally resolved vibrational spectra of AsH3 + (" separators=" X ˜ 2 A2 ″) : Tunneling splittings studied by zero-kinetic-energy photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Sun, Wei; Dai, Zuyang; Wang, Jia; Mo, Yuxiang

    2016-06-01

    The rotationally resolved vibrational spectra of AsH3 + (" separators=" X ˜ 2 A2 ″) have been measured for the first time with vibrational energies up to 6000 cm-1 above the ground state using the zero-kinetic-energy photoelectron method. The symmetric inversion vibrational energy levels ( v2 +) and the corresponding rotational constants for v2 + = 0 -15 have been determined. The tunneling splittings of the inversion vibration energy levels have been observed and are 0.8 and 37.7 (±0.5) cm-1 for the ground and the first excited vibrational states, respectively. The first adiabatic ionization energy for AsH3 was determined as 79 243.3 ± 1 cm-1. The geometric parameters of AsH3 + (" separators=" X ˜ 2 A2 ″) as a function of inversion vibrational numbers have been determined, indicating that the geometric structure of the cation changes from near-planar to pyramidal with increasing inversion vibrational excitation. In addition to the experimental measurements, a two-dimensional theoretical calculation considering the two symmetric vibrational modes was performed to determine the energy levels of the symmetric inversion, which are in good agreement with the experimental results. The inversion vibrational energy levels of SbH3 + (" separators=" X ˜ 2 A2 ″) have also been calculated and are found to have much smaller energy splittings than those of AsH3 + (" separators=" X ˜ 2 A2 ″) .

  14. RESOLVE Project

    NASA Technical Reports Server (NTRS)

    Parker, Ray O.

    2012-01-01

    The RESOLVE project is a lunar prospecting mission whose primary goal is to characterize water and other volatiles in lunar regolith. The Lunar Advanced Volatiles Analysis (LAVA) subsystem is comprised of a fluid subsystem that transports flow to the gas chromatograph- mass spectrometer (GC-MS) instruments that characterize volatiles and the Water Droplet Demonstration (WDD) that will capture and display water condensation in the gas stream. The LAVA Engineering Test Unit (ETU) is undergoing risk reduction testing this summer and fall within a vacuum chamber to understand and characterize C!Jmponent and integrated system performance. Ray will be assisting with component testing of line heaters, printed circuit heaters, pressure transducers, temperature sensors, regulators, and valves in atmospheric and vacuum environments. He will be developing procedures to guide these tests and test reports to analyze and draw conclusions from the data. In addition, he will gain experience with preparing a vacuum chamber with fluid and electrical connections. Further testing will include integrated testing of the fluid subsystem with the gas supply system, near-infrared spectrometer, WDD, Sample Delivery System, and GC-MS in the vacuum chamber. This testing will provide hands-on exposure to a flight forward spaceflight subsystem, the processes associated with testing equipment in a vacuum chamber, and experience working in a laboratory setting. Examples of specific analysis Ray will conduct include: pneumatic analysis to calculate the WOO's efficiency at extracting water vapor from the gas stream to form condensation; thermal analysis of the conduction and radiation along a line connecting two thermal masses; and proportional-integral-derivative (PID) heater control analysis. In this Research and Technology environment, Ray will be asked to problem solve real-time as issues arise. Since LAVA is a scientific subsystem, Ray will be utilizing his chemical engineering background to

  15. Energy dispersive X-ray microanalysis, fluoride release, and antimicrobial properties of glass ionomer cements indicated for atraumatic restorative treatment

    PubMed Central

    Saxena, Sudhanshu; Tiwari, Sonia

    2016-01-01

    Aim: The aim of this study was to compare constituents of glass powder, fluoride release, and antimicrobial properties of new atraumatic restorative treatment material with zirconia fillers and conventional glass ionomer cement (GIC) type IX. Materials and Methods: Thisin vitro study comparing Zirconomer and Fuji IX was executed in three parts: (1) energy dispersive X-ray microanalysis of glass powders (2) analysis of fluoride release at 1st, 3rd, 7th, 15th, and 30th day, and (3) antimicrobial activity against Streptococcus mutans, Lactobacillus casei, and Candida albicans at 48 hours. Data was analyzed using unpaired t-test and two way analysis of variance followed by least significant difference post hoc test. A P value of < 0.05 was considered statistically significant. Results: Energy dispersive X-ray microanalysis revealed that, in both Zirconomer and Fuji IX glass powders, mean atomic percentage of oxygen was more than 50%. According to the weight percentage, zirconium in Zirconomer and silica in Fuji IX were the second main elements. Calcium, zinc, and zirconium were observed only in Zirconomer. At all the time intervals, statistically significant higher amount of fluoride release was observed with Zirconomer than Fuji IX. At 48 hours, mean ± standard deviation (SD) of zone of inhibition against Streptococcus mutans was 11.14 ± 0.77 mm and 8.51 ± 0.43 mm for Zirconomer and Fuji IX, respectively. Against Lactobacillus casei, it was 14.06 ± 0.71 mm for Zirconomer and 11.70 ± 0.39 mm for Fuji IX. No antifungal activity was observed against Candida albicans by Zirconomer and Fuji IX. Conclusion: Zirconomer had higher antibacterial activity against Streptococcus mutans and Lactobacillus casei, which may be attributed to its composition and higher fluoride release. However, it failed to show antifungal effect againstCandida albicans. PMID:27583226

  16. Energy-resolved electron-yield XAS studies of nanoporous CoAlPO-18 and CoAlPO-34 catalysts.

    PubMed

    Martis, Vladimir; Martis, Martin; Lipp, John; Detollenaere, Dirk; Rayment, Trevor; Sankar, Gopinathan; Bras, Wim

    2014-07-01

    Energy-resolved electron-yield X-ray absorption spectroscopy is a promising technique for probing the near-surface structure of nanomaterials because of its ability to discriminate between the near-surface and bulk of materials. So far, the technique has only been used in model systems. Here, the local structural characterization of nanoporous cobalt-substituted aluminophosphates is reported and it is shown that the technique can be employed for the study of open-framework catalytically active systems. Evidence that the cobalt ions on the surface of the crystals react differently to those in the bulk is found.

  17. Angle-resolved photoelectron spectroscopy of sequential three-photon triple ionization of neon at 90.5 eV photon energy

    SciTech Connect

    Rouzee, A.; Siu, W.; Huismans, Y.; Johnsson, P.; Gryzlova, E. V.; Fukuzawa, H.; Yamada, A.; Ueda, K.; Louis, E.; Bijkerk, F.; Holland, D. M. P.; Grum-Grzhimailo, A. N.; Kabachnik, N. M.; Vrakking, M. J. J.

    2011-03-15

    Multiple photoionization of neon atoms by a strong 13.7 nm (90.5 eV) laser pulse has been studied at the FLASH free electron laser in Hamburg. A velocity map imaging spectrometer was used to record angle-resolved photoelectron spectra on a single-shot basis. Analysis of the evolution of the spectra with the FEL pulse energy in combination with extensive theoretical calculations allows the ionization pathways that contribute to be assigned, revealing the occurrence of sequential three-photon triple ionization.

  18. A Transition Edge Sensor Microcalorimeter System for the Energy Dispersive Spectroscopy Performed on a Scanning-Transmission Electron Microscope

    NASA Astrophysics Data System (ADS)

    Maehata, K.; Hara, T.; Mitsuda, K.; Hidaka, M.; Tanaka, K.; Yamanaka, Y.

    2016-07-01

    We are conducting the development of a transition edge sensor (TES) microcalorimeter system for energy-dispersive X-ray spectroscopy (EDS), performed using a scanning-transmission electron microscope (STEM). The operating temperature of the TES microcalorimeter was maintained using a compact dry 3He-4He dilution refrigerator. This was pre-cooled by a remote helium cooling loop system and a Gifford-McMahon cooler. These conditions allowed for high-resolution STEM imaging to be achieved. A single-pixel TES microcalorimeter with a polycapillary optic was selected to demonstrate the analytical operation of the EDS system in the STEM. For a Ti-It-Pt sample, an X-ray energy resolution of 8.6 eV full-width at half maximum (FWHM) was obtained at Ir M_{α 1}, Pt M_{α 1}, and Ir M_{β }. Using an electron device sample, element distribution maps of Si, Ti, and W were obtained using a Si K_{α 1} X-ray energy resolution of 9.7 eV FWHM.

  19. Modified dispersion relations lead to a finite zero point gravitational energy

    SciTech Connect

    Garattini, Remo; Mandanici, Gianluca

    2011-04-15

    We compute the zero point energy in a spherically symmetric background distorted at high energy as predicted by Gravity's Rainbow. In this context we setup a Sturm-Liouville problem with the cosmological constant considered as the associated eigenvalue. The eigenvalue equation is a reformulation of the Wheeler-DeWitt equation. With the help of a canonical decomposition, we find that the relevant contribution to one loop is given by the graviton quantum fluctuations around the given background. By means of a variational approach based on Gaussian trial functionals, we find that the ordinary divergences can here be handled by an appropriate choice of the rainbow's functions, in contrast to what happens in other conventional approaches. A final discussion on the connection of our result with the observed cosmological constant is also reported.

  20. Free energy landscapes and volumes of coexisting phases for a colloidal dispersion

    NASA Astrophysics Data System (ADS)

    Lang, Trinh Hoa; Wang, G. F.; Lai, S. K.

    2010-01-01

    Treating the repulsive part of a pairwise potential by the hard-sphere form and its attractive part by the effective depletion potential form, we calculate using this model potential the colloidal domains of phase separation. Differing from the usual recipe of applying the thermodynamic conditions of equal pressure and equal chemical potential where the branches of coexisting phases are the ultimate target, we employ the free energy density minimization approach [G. F. Wang and S. K. Lai, Phys. Rev. E 70, 051402 (2004)] to crosshatch the domains of equilibrium phases, which consist of the gas, liquid, and solid homogeneous phases as well as the coexistence of these phases. This numerical procedure is attractive since it yields naturally the colloidal volume of space occupied by each of the coexisting phases. In this work, we first examine the change in structures of the fluid and solid free energy density landscapes with the effective polymer concentration. We show by explicit illustration the link between the free energy density landscapes and the development of both the metastable and stable coexisting phases. Then, attention is paid to the spatial volumes predicted at the triple point. It is found here that the volumes of spaces of the three coexisting phases at the triple point vary one dimensionally, whereas for the two coexisting phases, they are uniquely determined.

  1. Experimental and Theoretical Determination of Dissociation Energies of Dispersion-Dominated Aromatic Molecular Complexes.

    PubMed

    Frey, Jann A; Holzer, Christof; Klopper, Wim; Leutwyler, Samuel

    2016-05-11

    The dissociation energy (D0) of an isolated and cold molecular complex in the gas-phase is a fundamental measure of the strength of the intermolecular interactions between its constituent moieties. Accurate D0 values are important for the understanding of intermolecular bonding, for benchmarking high-level theoretical calculations, and for the parametrization of force-field models used in fields ranging from crystallography to biochemistry. We review experimental and theoretical methods for determining gas-phase D0 values of M·S complexes, where M is a (hetero)aromatic molecule and S is a closed-shell "solvent" atom or molecule. The experimental methods discussed involve M-centered (S0 → S1) electronic excitation, which is often followed by ionization to the M(+)·S ion. The D0 is measured by depositing a defined amount of vibrational energy in the neutral ground state, giving M(‡)·S, the neutral S1 excited state, giving M*·S, or the M(+)·S ion ground state. The experimental methods and their relative advantages and disadvantages are discussed. Based on the electronic structure of M and S, we classify the M·S complexes as Type I, II, or III, and discuss characteristic properties of their respective potential energy surfaces that affect or hinder the determination of D0. Current theoretical approaches are reviewed, which comprise methods based on a Kohn-Sham reference determinant as well as wave function-based methods based on coupled-cluster theory. PMID:27055105

  2. Optimization of the K-edge imaging for vulnerable plaques using gold nanoparticles and energy-resolved photon counting detectors: a simulation study

    PubMed Central

    Alivov, Yahya; Baturin, Pavlo; Le, Huy Q.; Ducote, Justin; Molloi, Sabee

    2014-01-01

    We investigated the effect of different imaging parameters such as dose, beam energy, energy resolution, and number of energy bins on image quality of K-edge spectral computed tomography (CT) of gold nanoparticles (GNP) accumulated in an atherosclerotic plaque. Maximum likelihood technique was employed to estimate the concentration of GNP, which served as a targeted intravenous contrast material intended to detect the degree of plaque's inflammation. The simulations studies used a single slice parallel beam CT geometry with an X-ray beam energy ranging between 50 and 140 kVp. The synthetic phantoms included small (3 cm in diameter) cylinder and chest (33x24 cm2) phantom, where both phantoms contained tissue, calcium, and gold. In the simulation studies GNP quantification and background (calcium and tissue) suppression task were pursued. The X-ray detection sensor was represented by an energy resolved photon counting detector (e.g., CdZnTe) with adjustable energy bins. Both ideal and more realistic (12% FWHM energy resolution) implementations of photon counting detector were simulated. The simulations were performed for the CdZnTe detector with pixel pitch of 0.5-1 mm, which corresponds to the performance without significant charge sharing and cross-talk effects. The Rose model was employed to estimate the minimum detectable concentration of GNPs. A figure of merit (FOM) was used to optimize the X-ray beam energy (kVp) to achieve the highest signal-to-noise ratio (SNR) with respect to patient dose. As a result, the successful identification of gold and background suppression was demonstrated. The highest FOM was observed at 125 kVp X-ray beam energy. The minimum detectable GNP concentration was determined to be approximately 1.06 μmol/mL (0.21 mg/mL) for an ideal detector and about 2.5 μmol/mL (0.49 mg/mL) for more realistic (12% FWHM) detector. The studies show the optimal imaging parameters at lowest patient dose using an energy resolved photon counting detector

  3. Characterizing the Use of Ultrasonic Energy in Promoting Uniform Microstructural Dispersions in Immiscible Mixtures

    NASA Technical Reports Server (NTRS)

    Grugel, R. N.; Fedoseyev, A. I.; Rose, M. Franklin (Technical Monitor)

    2000-01-01

    Gravity driven separation and preferential wetting precludes uniform microstructural distributions during solidification processing of immiscible, liquid-liquid mixtures. Historically, it is, however, established that liquid/liquid suspensions can be established and maintained by utilizing ultrasound. Following a brief introduction the results of experiments on immiscible mixtures subjected to ultrasonic energy during solidification processing will be compared and evaluated in view of a recently developed mathematical model. The presentation continues by discussion of scaling the model to commercial viability and concludes with the implications of such processing in a microgravity environment.

  4. Characterizing the Use of Ultrasonic Energy in Promoting Uniform Microstructural Dispersions in Immiscible Mixtures

    NASA Technical Reports Server (NTRS)

    Grugel, R. N.; Fedoseyev, A. I.; Rose, M. Franklin (Technical Monitor)

    2001-01-01

    Gravity driven separation and preferential wetting precludes uniform microstructural distributions during solidification processing of immiscible, liquid-liquid mixtures. Historically, it is, however, established that liquid/liquid suspensions can be established and maintained by utilizing ultrasound. Following a brief introduction the results of experiments on immiscible mixtures subjected to ultrasonic energy during solidification processing will be compared and evaluated in view of a recently developed mathematical model. The presentation continues by discussion of scaling the model to commercial viability and concludes with the implications of such processing in a microgravity environment.

  5. Crossover from inelastic magnetic scattering of Cooper pairs to spin-wave dispersion produces the low-energy kink structure in the spectra of cuprate superconductors

    NASA Astrophysics Data System (ADS)

    Das, Tanmoy; Markiewicz, R. S.; Bansil, A.

    2012-04-01

    We present GW-based-self-energy calculations for the state of the coexisting spin-density-wave and d-wave superconductivity in a series of cuprate superconductors. The spin-resonance spectrum is found to exhibit the typical “hourglass” form whose upward and downward dispersion branches come from the gapped-spin-wave and magnetic scattering, of Cooper pairs, respectively. We show that the crossover between these two different dispersion features leads to an abrupt change of slope in the quasiparticle self-energy, and hence, the low-energy kink commences in the single-particle quasiparticle spectrum. The calculated electron-boson-coupling strength agrees well with experimental data as a function of temperature, doping, and material. The results demonstrate that electronic correlations dominate the quasiparticle spectra of cuprates near the low-energy kink, suggesting a relatively smaller role for phonons in this energy range.

  6. Modeling complex dispersed energy and clean water systems for the United States/Mexico border

    NASA Astrophysics Data System (ADS)

    Herrera, Hugo Francisco Lopez

    As world population grows, and its technology evolves, the demand for electricity inexorably increases. Until now most of this electricity has been produced via fossil fuels, non-renewable energy resources that are irreversibly deteriorating our environment. On the economical aspect it does not get any better. Let's not forget market rules, the higher the demand and lower the offer, the higher the price we will have to pay. Oil is an excellent example. Some countries try to solve this situation with Pharaohnic projects, i.e. investing absurd amounts of money in 'green electricity' building monstrous dams to power equally monstrous hydroelectric power plants. The only problem with this is that it is not green at all---it does have an enormous environmental impact---it is extremely complicated and expensive to implement. It is important to point out, that this research project does not try to solve world's thirst for electricity. It is rather aimed to help solve this problematic at a much lower scale---it should be considered as an extremely small step in the right direction. It focuses on satisfying the local electricity needs with renewable, non-contaminating and locally available resources. More concisely, this project focuses on the attainment and use of hydrogen as an alternate energy source in El Paso/Juarez region. Clean technology is nowadays available to produce hydrogen and oxygen, i.e. the photoelectrolysis process. Photovoltaic cells coupled with electrolytic devices can be used to produce hydrogen and oxygen in a sustainable manner. In this research, simulation models of hybrid systems were designed and developed. They were capable to compare, predict and evaluate different options for hydrogen generation. On the other hand, with the produced hydrogen from the electrolysis process it was possible to generate electricity through fuel cells. The main objectives of the proposed research were to define how to use the resources for the attainment of hydrogen

  7. Picosecond time-resolved emission studies. I. Real-time measurements of solvent-solute interactions. II. Kinetics of energy flow in a photosynthetic antenna system. [4-aminophthalimide

    SciTech Connect

    Yeh, S.W.

    1985-11-01

    Using a picosecond fluorimeter, the dynamics of solvation of electronically excited 4-aminophthalimide in a variety of solvents is measured. The solvation process is manifested by a time-dependent red shift in the emission spectrum in certain solvents. This red shift is time-resolved using a streak camera system. The time constant of the relaxation is found to correlate strongly with the longitudinal dielectric relaxation rate of the solvent. The correlation holds for changes in solvent, for isotopic substitution of a solvent, and for changes in temperature. Never before have direct measurements of excited-state solvation dynamics been shown to correlate with dielectric relaxation over such a wide range of experimental conditions. Emission from certain photosynthetic antenna complexes, phycobilisomes, and from the building blocks of phycobilisomes, phycobiliproteins, has also been studied using the streak camera system. Both the rising and filling portions of the time-resolved emission profiles of the fluorescing chromophores in these structures are studied. The rates of energy transfer between structural domains of the antenna complex and within the isolated biliprotein complexes are deduced from these studies. Comparison of emission profiles from a series of structurally distinct phycobilisomes isolated from three related strains of cyanobacteria have provided new insights into the correlation of the energy transfer function and macromolecular structure in these light-harvesting antenna systems. 133 refs., 58 figs., 14 tabs.

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

    NASA Astrophysics Data System (ADS)

    Li, Fangzuo; Liu, Zhiguo; Sun, Tianxi

    2016-09-01

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

  9. Different mode-locking methods in high energy all-normal dispersion Yb femtosecond all-fiber lasers

    NASA Astrophysics Data System (ADS)

    Szczepanek, Jan; Michalska, Maria; Kardaś, Tomasz; Radzewicz, Czesław; Stepanenko, Yuriy

    2015-05-01

    Ultrafast all-fiber oscillators are currently one of the most rapidly developing laser technologies. Many advantages like: environmental stability, low sensitivity to misalignment, excellent beam quality (intrinsic single transverse mode operation), high energy and an excellent active medium efficiency make them the lasers of choice for a variety of applications. In this paper the designs of all-fiber all-normal dispersion femtosecond lasers are described. Due to large positive chirp, the pulses inside the cavity are highly stretched in time and they can achieve higher energies with the same peak power as shorter pulses. High insensitivity to mechanical perturbations or temperature drift is another highly valued property of presented configurations. Two of reported lasers are extremely stable due to the fact that their cavities are built entirely of polarization maintaining fibers and optical elements. We used highly Yb3+ ions doped fibers as an active medium pumped by a fiber coupled 976 nm laser diode. The central wavelength of our laser oscillators was 1030 nm. Three methods of passive mode-locking in all-fiber cavities were studied. In particular, the designs with Nonlinear Polarization Evolution (NPE), Nonlinear Optical Loop Mirror (NOLM) and Nonlinear Amplifying Loop Mirror (NALM) as artificial saturable absorbers were investigated. The most attention was paid to all-PM-fiber configurations. We present two self-starting, high energy, all-fiber configurations: one delivering pulses with energy of 4.3 nJ and dechirped pulse duration of 150 fs based on the NALM and another with a 6.8 nJ, 390 fs pulses in configuration with the NOLM. The influence of different artificial saturable absorber on output pulse characteristics were studied and analyzed.

  10. [Influence of the Experiment Energy Dispersive X-Ray Fluorescence Measurement of Uranium by Different Excitation Source].

    PubMed

    Xiong, Chao; Ge, Liang-quan; Liu, Duan; Zhang, Qing-xian; Gu, Yi; Luo, Yao-yao; Zhao, Jian-kun

    2016-03-01

    Aiming at the self-excitation effect on the interference of measurements which exist in the process of Energy dispersive X-ray fluorescence method for uranium measurement. To solve the problem of radioactive isotopes only used as excitation source in determination of uranium. Utilizing the micro X-ray tube to test Self-excitation effect to get a comparison of the results obtained by three different uranium ore samples--109 Cd, 241 Am and Mirco X-ray tube. The results showed that self-excitation effect produced the area measure of characteristic X-ray peak is less than 1% of active condition, also the interference of measurements can be negligible. Photoelectric effect cross-section excited by 109 Cd is higher, corresponding fluorescence yield is higher than excited by 241 Am as well due to characteristics X-ray energy of 109 Cd, 22.11 & 24.95 KeV adjacent to absorption edge energy of L(α), 21.75 KeV, based on the above, excitation efficiency by 109 Cd is higher than 241 Am; The fact that measurement error excited by 241 Am is significantly greater than by 109 Cd is mainly due to peak region overlap between L energy peaks of uranium and Scattering peak of 241 Am, 26.35 keV, These factors above caused the background of measured Spectrum higher; The error between the uranium content in ore samples which the X-ray tube as the excitation source and the chemical analysis results is within 10%. Conclusion: This paper come to the conclusion that the technical quality of uranium measurement used X-ray tube as excitation source is superior to that in radioactive source excitation mode. PMID:27400534

  11. [Influence of the Experiment Energy Dispersive X-Ray Fluorescence Measurement of Uranium by Different Excitation Source].

    PubMed

    Xiong, Chao; Ge, Liang-quan; Liu, Duan; Zhang, Qing-xian; Gu, Yi; Luo, Yao-yao; Zhao, Jian-kun

    2016-03-01

    Aiming at the self-excitation effect on the interference of measurements which exist in the process of Energy dispersive X-ray fluorescence method for uranium measurement. To solve the problem of radioactive isotopes only used as excitation source in determination of uranium. Utilizing the micro X-ray tube to test Self-excitation effect to get a comparison of the results obtained by three different uranium ore samples--109 Cd, 241 Am and Mirco X-ray tube. The results showed that self-excitation effect produced the area measure of characteristic X-ray peak is less than 1% of active condition, also the interference of measurements can be negligible. Photoelectric effect cross-section excited by 109 Cd is higher, corresponding fluorescence yield is higher than excited by 241 Am as well due to characteristics X-ray energy of 109 Cd, 22.11 & 24.95 KeV adjacent to absorption edge energy of L(α), 21.75 KeV, based on the above, excitation efficiency by 109 Cd is higher than 241 Am; The fact that measurement error excited by 241 Am is significantly greater than by 109 Cd is mainly due to peak region overlap between L energy peaks of uranium and Scattering peak of 241 Am, 26.35 keV, These factors above caused the background of measured Spectrum higher; The error between the uranium content in ore samples which the X-ray tube as the excitation source and the chemical analysis results is within 10%. Conclusion: This paper come to the conclusion that the technical quality of uranium measurement used X-ray tube as excitation source is superior to that in radioactive source excitation mode.

  12. Modification of energy-transfer processes in the cyanobacterium, Arthrospira platensis, to adapt to light conditions, probed by time-resolved fluorescence spectroscopy.

    PubMed

    Akimoto, Seiji; Yokono, Makio; Aikawa, Shimpei; Kondo, Akihiko

    2013-11-01

    In cyanobacteria, the interactions among pigment-protein complexes are modified in response to changes in light conditions. In the present study, we analyzed excitation energy transfer from the phycobilisome and photosystem II to photosystem I in the cyanobacterium Arthrospira (Spirulina) platensis. The cells were grown under lights with different spectral profiles and under different light intensities, and the energy-transfer characteristics were evaluated using steady-state absorption, steady-state fluorescence, and picosecond time-resolved fluorescence spectroscopy techniques. The fluorescence rise and decay curves were analyzed by global analysis to obtain fluorescence decay-associated spectra. The direct energy transfer from the phycobilisome to photosystem I and energy transfer from photosystem II to photosystem I were modified depending on the light quality, light quantity, and cultivation period. However, the total amount of energy transferred to photosystem I remained constant under the different growth conditions. We discuss the differences in energy-transfer processes under different cultivation and light conditions. PMID:23605291

  13. Misfit strain of oxygen precipitates in Czochralski silicon studied with energy-dispersive X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Gröschel, A.; Will, J.; Bergmann, C.; Magerl, A.

    2014-06-01

    Annealed Czochralski Silicon wafers containing SiOx precipitates have been studied by high energy X-ray diffraction in a defocused Laue setup using a laboratory tungsten tube. The energy dispersive evaluation of the diffracted Bragg intensity of the 220 reflection within the framework of the statistical dynamical theory yields the static Debye-Waller factor E of the crystal, which gives access to the strain induced by the SiOx precipitates. The results are correlated with precipitate densities and sizes determined from transmission electron microscopy measurements of equivalent wafers. This allows for the determination of the constrained linear misfit ɛ between precipitate and crystal lattice. For samples with octahedral precipitates the values ranging from ɛ = 0.39 (+0.28/-0.12) to ɛ = 0.48 (+0.34/-0.16) indicate that self-interstitials emitted into the matrix during precipitate growth contribute to the lattice strain. In this case, the expected value calculated from literature values is ɛ = 0.26 ± 0.05. Further, the precise evaluation of Pendellösung oscillations in the diffracted Bragg intensity of as-grown wafers reveals a thermal Debye-Waller parameter for the 220 reflection B220(293 K) of 0.5582 ± 0.0039 Å2 for a structure factor based on spherically symmetric scattering contributions.

  14. Development of energy-dispersive X-ray fluorescence as a mobile analysis method for hazardous metals in transuranic waste

    SciTech Connect

    Goldstein, S.J.

    1998-09-01

    Energy-dispersive X-ray fluorescence (EDXRF) is a widely applied technique for both laboratory and field-based characterization of metals in complex matrices. Here an EDXRF method is described for analysis of 13 hazardous (RCRA) metals in Portland cement, a typical matrix for transuranic (TRU) waste from US Department of Energy (DOE) sites. Samples are analyzed as homogeneous powders prepared by simple drying, mixing, and milling. Analyses are performed using a commercial EDXRF spectrometer equipped with an X-ray tube, a high-resolution Si(Li) detector, and fundamental parameters software for data reduction. The spectrometer is rugged and suitable for use in either mobile or fixed-based laboratories. Standardization is accomplished using fundamental parameters techniques for several prepared standards which bracket the expected range in metal concentrations, and typical standardization uncertainties are < 10%. Detection limits range from 2--20 ppm and meet required action levels with a few exceptions including Be, Hg and V. Accuracy is evaluated from a series of unknown quality control samples and ranges from 85--102%, whereas the total method uncertainty is typically < 10%. Consequently, this simple, rapid, and inexpensive technique can provide quantitative characterization of virtually all of the RCRA metals in TRU waste cement samples.

  15. Residual strain gradient determination in metal matrix composites by synchrotron X-ray energy dispersive diffraction

    NASA Technical Reports Server (NTRS)

    Kuntz, Todd A.; Wadley, Haydn N. G.; Black, David R.

    1993-01-01

    An X-ray technique for the measurement of internal residual strain gradients near the continuous reinforcements of metal matrix composites has been investigated. The technique utilizes high intensity white X-ray radiation from a synchrotron radiation source to obtain energy spectra from small (0.001 cu mm) volumes deep within composite samples. The viability of the technique was tested using a model system with 800 micron Al203 fibers and a commercial purity titanium matrix. Good agreement was observed between the measured residual radial and hoop strain gradients and those estimated from a simple elastic concentric cylinders model. The technique was then used to assess the strains near (SCS-6) silicon carbide fibers in a Ti-14Al-21Nb matrix after consolidation processing. Reasonable agreement between measured and calculated strains was seen provided the probe volume was located 50 microns or more from the fiber/matrix interface.

  16. Molecular dispersion energy parameters for alkali and halide ions in aqueous solution

    SciTech Connect

    Reiser, S.; Deublein, S.; Hasse, H.; Vrabec, J.

    2014-01-28

    Thermodynamic properties of aqueous solutions containing alkali and halide ions are determined by molecular simulation. The following ions are studied: Li{sup +}, Na{sup +}, K{sup +}, Rb{sup +}, Cs{sup +}, F{sup −}, Cl{sup −}, Br{sup −}, and I{sup −}. The employed ion force fields consist of one Lennard-Jones (LJ) site and one concentric point charge with a magnitude of ±1 e. The SPC/E model is used for water. The LJ size parameter of the ion models is taken from Deublein et al. [J. Chem. Phys. 136, 084501 (2012)], while the LJ energy parameter is determined in the present study based on experimental self-diffusion coefficient data of the alkali cations and the halide anions in aqueous solutions as well as the position of the first maximum of the radial distribution function of water around the ions. On the basis of these force field parameters, the electric conductivity, the hydration dynamics of water molecules around the ions, and the enthalpy of hydration is predicted. Considering a wide range of salinity, this study is conducted at temperatures of 293.15 and 298.15 K and a pressure of 1 bar.

  17. In-situ and operando characterization of batteries with energy-dispersive synchrotron x-ray diffraction

    NASA Astrophysics Data System (ADS)

    Paxton, William Arthur

    Batteries play a pivotal role in the low-carbon society that is required to thwart the effects of climate change. Alternative low-carbon energy sources, such as wind and solar, are often intermittent and unreliable. Batteries are able capture their energy and deliver it later when it is needed. The implementation of battery systems in grid-level and transportation sectors is essential for efficient use of alternative energy sources. Scientists and engineers need better tools to analyze and measure the performance characteristics of batteries. One of the main hindrances in the progress of battery research is that the constituent electrode materials are inaccessible once an electrochemical cell is constructed. This leaves the researcher with a limited number of available feedback mechanisms to assess the cell's performance, e.g., current, voltage, and impedance. These data are limited in their ability to reveal the more-localized smaller-scale structural mechanisms on which the batteries' performance is so dependent. Energy-dispersive x-ray diffraction (EDXRD) is one of the few techniques that can internally probe a sealed battery. By analyzing the structural behavior of battery electrodes, one is able to gain insight to the physical properties on which the battery's performance is dependent. In this dissertation, EDXRD with ultrahigh energy synchrotron radiation is used to probe the electrodes of manufactured primary and secondary lithium batteries under in-situ and operando conditions. The technique is then applied to solve specific challenges facing lithium ion batteries. Diffraction spectra are collected from within a battery at 40 micrometer resolution. Peak-fitting is used to quantitatively estimate the abundance of lithiated and non-lithiated phases. Through mapping the distribution of phases within, structural changes are linked to the battery's galvanic response. A three-dimensional spatial analysis of lithium iron phosphate batteries suggests that evolution

  18. Studies of dispersion energy in hydrogen-bonded systems. H2O-HOH, H2O-HF, H3N-HF, HF-HF

    NASA Astrophysics Data System (ADS)

    Szcześniak, M. M.; Scheiner, Steve

    1984-02-01

    Dispersion energy is calculated in the systems H2O-HOH, H2O-HF, H3N-HF, and HF-HF as a function of the intermolecular separation using a variety of methods. M≂ller-Plesset perturbation theory to second and third orders is applied in conjunction with polarized basis sets of 6-311G** type and with an extended basis set including a second set of polarization functions (DZ+2P). These results are compared to a multipole expansion of the dispersion energy, based on the Unsöld approximation, carried out to the inverse tenth power of the intermolecular distance. Pairwise evaluation is also carried out using both atom-atom and bond-bond formulations. The MP3/6-311G** results are in generally excellent accord with the leading R-6 term of the multipole expansion. This expansion, if carried out to the R-10 term, reproduces extremely well previously reported dispersion energies calculated via variation-perturbation theory. Little damping of the expansion is required for intermolecular distances equal to or greater than the equilibrium separation. Although the asymptotic behavior of the MP2 dispersion energy is somewhat different than that of the other methods, augmentation of the basis set by a second diffuse set of d functions leads to quite good agreement in the vicinity of the minima. Both the atom-atom and bond-bond parametrization schemes are in good qualitative agreement with the other methods tested. All approaches produce similar dependence of the dispersion energy upon the angular orientation between the two molecules involved in the H bond.

  19. Proceedings of the Wind Energy and Birds/Bats Workshop: Understanding and Resolving Bird and Bat Impacts

    SciTech Connect

    Schwartz, Susan Savitt

    2004-09-01

    Most conservation groups support the development of wind energy in the US as an alternative to fossil and nuclear-fueled power plants to meet growing demand for electrical energy. However, concerns have surfaced over the potential threat to birds, bats, and other wildlife from the construction and operation of wind turbine facilities. Co-sponsored by the American Bird Conservancy (ABC) and the American Wind Energy Association (AWEA), the Wind Energy and Birds/Bats Workshop was convened to examine current research on the impacts of wind energy development on avian and bat species and to discuss the most effective ways to mitigate such impacts. On 18-19 May 2004, 82 representatives from government, non-government organizations, private business, and academia met to (1) review the status of the wind industry and current project development practices, including pre-development risk assessment and post-construction monitoring; (2) learn what is known about direct, indirect (habitat), and cumulative impacts on birds and bats from existing wind projects; about relevant aspects of bat and bird migration ecology; about offshore wind development experience in Europe; and about preventing, minimizing, and mitigating avian and bat impacts; (3) review wind development guidelines developed by the USFWS and the Washington State Department of Fish and Wildlife; and (4) identify topics needing further research and to discuss what can be done to ensure that research is both credible and accessible. These Workshop Proceedings include detailed summaries of the presentations made and the discussions that followed.

  20. A spatially resolved retarding field energy analyzer design suitable for uniformity analysis across the surface of a semiconductor wafer

    SciTech Connect

    Sharma, S.; Gahan, D. Hopkins, M. B.; Kechkar, S.; Daniels, S.

    2014-04-15

    A novel retarding field energy analyzer design capable of measuring the spatial uniformity of the ion energy and ion flux across the surface of a semiconductor wafer is presented. The design consists of 13 individual, compact-sized, analyzers, all of which are multiplexed and controlled by a single acquisition unit. The analyzers were tested to have less than 2% variability from unit to unit due to tight manufacturing tolerances. The main sensor assembly consists of a 300 mm disk to mimic a semiconductor wafer and the plasma sampling orifices of each sensor are flush with disk surface. This device is placed directly on top of the rf biased electrode, at the wafer location, in an industrial capacitively coupled plasma reactor without the need for any modification to the electrode structure. The ion energy distribution, average ion energy, and average ion flux were measured at the 13 locations over the surface of the powered electrode to determine the degree of spatial nonuniformity. The ion energy and ion flux are shown to vary by approximately 20% and 5%, respectively, across the surface of the electrode for the range of conditions investigated in this study.

  1. Energy transfer in the primary stages of the photosynthetic process investigated by picosecond time resolved fluorescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Pellegrino, F.

    The fate of the absorbed light energy in the primary stages of the photosynthetic process was studied. In particular, the energy transfer in the accessory pigment complex consisting of carotenoids, Chl. a and Chl. b in higher green plants and phycobiliproteins in blue-green algae were investigated. These accessory pigments are responsible for the highly efficient transfer of the excitation energy to the photochemically active reaction center traps. The risetime, decay time, fluorescence depolarization, temperature and intensity dependence of the fluoresence emission from higher green plant and algal photosystems were directly measured. Excitation was provided by single picosecond laser pulses, as well as a train of pulses at 530 nm, within an intensity range of 10 to the 12th power to 10 to the 16th power photons/sq cm per pulse.

  2. Micro energy-dispersive X-ray fluoresence mapping of enamel and dental materials after chemical erosion.

    PubMed

    Soares, Luís Eduardo Silva; de Oliveira, Rodrigo; Nahórny, Sídnei; Santo, Ana Maria do Espírito; Martin, Airton Abrahão

    2012-10-01

    Energy-dispersive X-ray fluorescence was employed to test the hypothesis that beverage consumption or mouthwash utilization will change the chemical properties of dental materials and enamel mineral content. Bovine enamel samples (n = 45) each received two cavity preparations (n = 90), each pair filled with one of three dental materials (R: nanofilled composite resin; GIC: glass-ionomer cement; RMGIC: resin-modified GIC). Furthermore, they were treated with three different solutions (S: saliva; E: erosion/Pepsi Twist®; or EM: erosion+mouthwash/Colgate Plax®). It was found that mineral loss in enamel was greater in GICE samples than in RE > RMGICE > RMGICEM > REM > GICEM. An increased percentage of Zr was found in REM indicating organic matrix degradation. Dental materials tested (R, GIC, and RMGIC) were not able to protect adjacent enamel from acid erosion by the soft drink tested. The use of mouthwash promoted protection of enamel after erosion by the soft drink. To avoid chemical dissolution by mouthwashes, protection by resin composites with surface sealants is recommended.

  3. Determination of selenium at trace levels in geologic materials by energy-dispersive X-ray fluorescence spectrometry

    USGS Publications Warehouse

    Wahlberg, J.S.

    1981-01-01

    Low levels of selenium (0.1-500 ppm) in both organic and inorganic geologic materials can be semiquantitatively measured by isolating Se as a thin film for presentation to an energy-dispersive X-ray fluorescence spectrometer. Suitably pulverized samples are first digested by fusing with a mixture of Na2CO3 and Na2O2. The fusion cake is dissolved in distilled water, buffered with NH4Cl, and filtered to remove Si and the R2O3 group. A carrier solution of Na2TeO4, plus solid KI, hydrazine sulfate and Na2SO3, is added to the filtrate. The solution is then vacuum-filtered through a 0.45-??m pore-size filter disc. The filter, with the thin film of precipitate, is supported between two sheets of Mylar?? film for analysis. Good agreement is shown between data reported in this study and literature values reported by epithermal neutron-activation analysis and spectrofluorimetry. The method can be made quantitative by utilizing a secondary precipitation to assure complete recovery of the Se. The X-ray method offers fast turn-around time and a reasonably high production rate. ?? 1981.

  4. Faults and foibles of quantitative scanning electron microscopy/energy dispersive x-ray spectrometry (SEM/EDS)

    NASA Astrophysics Data System (ADS)

    Newbury, Dale E.; Ritchie, Nicholas W. M.

    2012-06-01

    Scanning electron microscopy with energy dispersive x-ray spectrometry (SEM/EDS) is a powerful and flexible elemental analysis method that can identify and quantify elements with atomic numbers > 4 (Be) present as major constituents (where the concentration C > 0.1 mass fraction, or 10 weight percent), minor (0.01<= C <= 0.1) and trace (C < 0.01, with a minimum detectable limit of ~+/- 0.0005 - 0.001 under routine measurement conditions, a level which is analyte and matrix dependent ). SEM/EDS can select specimen volumes with linear dimensions from ~ 500 nm to 5 μm depending on composition (masses ranging from ~ 10 pg to 100 pg) and can provide compositional maps that depict lateral elemental distributions. Despite the maturity of SEM/EDS, which has a history of more than 40 years, and the sophistication of modern analytical software, the method is vulnerable to serious shortcomings that can lead to incorrect elemental identifications and quantification errors that significantly exceed reasonable expectations. This paper will describe shortcomings in peak identification procedures, limitations on the accuracy of quantitative analysis due to specimen topography or failures in physical models for matrix corrections, and quantitative artifacts encountered in xray elemental mapping. Effective solutions to these problems are based on understanding the causes and then establishing appropriate measurement science protocols. NIST DTSA II and Lispix are open source analytical software available free at www.nist.gov that can aid the analyst in overcoming significant limitations to SEM/EDS.

  5. Distribution of toxic elements in teeth treated with amalgam using μ-energy dispersive X-ray fluorescence

    NASA Astrophysics Data System (ADS)

    Guerra, M.; Ferreira, C.; Carvalho, M. L.; Santos, J. P.; Pessanha, S.

    2016-08-01

    Over the years, the presence of mercury in amalgam fillings has raised some safety concerns. Amalgam is one of the most commonly used tooth fillings and contains approximately 50% of elemental mercury and 50% of other metals, mostly silver, tin and copper. Amalgam can release small amounts of mercury vapor over time, and patients can absorb these vapors by inhaling or ingesting them. In this study, 10 human teeth treated with dental amalgam were analyzed using energy dispersive X-ray fluorescence (EDXRF) to study the diffusion of its constituents, Ag, Cu, Sn and Hg. The used EDXRF setup, makes use of a polycapillary lens to focus radiation up to 25 μm allowing the mapping of the elemental distribution in the samples. Quantification was performed using the inbuilt software based on the Fundamental Parameters method for bulk samples, considering a hydroxyapatite matrix. The teeth were longitudinally cut and each slice was scanned from the surface enamel to the inner region (dentin and pulp cavity). Mercury concentration profiles show strong levels of this element close to the amalgam region, decreasing significantly in the dentin, and increasing again up to 40,000 μg·g- 1 in the cavity were the pulp used to exist when the tooth was vital.

  6. A study of heavy metal pollution in Lake Victoria sediments by Energy Dispersive X-Ray Fluorescence.

    PubMed

    Makundi, I N

    2001-01-01

    Sources of heavy metal pollution of Lake Victoria is of interest due to its economic and domestic implication in East Africa. Sediments from the shore of Lake Victoria and from some streams flowing into the lake have been analyzed for their heavy metal content using Energy Dispersive X-Ray Fluorescence (EDXRF) analysis. The samples were collected from seventeen different locations around the Municipality of Mwanza divided into three zones according to their activities. The results show that sediments from Mwanza North, which is least in anthropogenic activities, contains Cr and Co in addition to metals of terrestrial origin (K, Ca, Ti, Mn, Fe, Rb, Sr, Y, and Zr), samples from Mwanza Central, which is the town center, contains high concentrations of V, Cu, Zn and Pb, and samples collected from Mwanza South, which is the industrial area, contains the highest concentrations of V, Cu, Zn, As and Pb. It is concluded that the industrial and sewage wastes discharged into the lake are the main sources of the heavy metal contamination of Lake Victoria. Further studies will be required to assess detriments of these pollutants to human and aquatic life before policy for the factories responsible is put in place. PMID:11501314

  7. Simultaneous nondestructive analysis of palladium, rhodium, platinum, and gold nanoparticles using energy dispersive X-ray fluorescence.

    PubMed

    Fiedler, Haidi D; Drinkel, Emma E; Orzechovicz, Beatriz; Leopoldino, Elder C; Souza, Franciane D; Almerindo, Gizelle I; Perdona, Cristian; Nome, Faruk

    2013-11-01

    A selective method is proposed for the determination of palladium, gold, and sulfur in catalytic systems, by direct liquid analysis using energy dispersive X-ray fluorescence (EDXRF), under an atmosphere of helium or air. This method allows a nondestructive analysis of palladium, rhodium, platinum, and gold nanoparticulate catalysts stabilized by imidazolium propane sulfonate based zwitterionic surfactants, allowing the samples to be reused for catalytic studies. The signals from palladium, rhodium, platinum, and gold samples in the presence of imidazolium propane sulfonate-based zwitterionic surfactants obtained using EDXRF before (Pd(2+), Rh(2+), Pt(2+), and Au(3+)) and after (Pd(0), Rh(0), Pt(0), and Au(0)) formation of nanoparticles are essentially identical. The results show that the EDXRF method is nondestructive and allows detection and quantification of the main components of platinum, gold, rhodium, and palladium NPs, including the surfactant concentration, with detection and quantification limits in the range of 0.4-3 mg L(-1). The matrices used in such samples present no problems, even allowing the detection and quantification of interfering elements.

  8. A chemical signal possibly related to physiology in fossil cells detected by energy dispersive X-ray microanalysis.

    PubMed

    Wang, X

    2006-02-01

    Energy dispersive X-ray microanalysis (EDXMA) is a widely used tool employed to detect elemental composition and its spatial distribution in a sample without causing damage. Charcoalified cytoplasm is a new type of fossil material that came to people's attention only recently. In this paper, EDXMA is used for the first time to detect the spatial elemental distribution in charcoalified cytoplasm of two fossil plants that are more than 100 million years old. The results demonstrate certain elemental distribution patterns within charcoalified cytoplasm and the surrounding cell walls. Based on the results from cytological studies of extant material, the heterogeneous spatial elemental distribution within the charcoalified cytoplasm has the potential to be related to the maturation of cells, the presence of certain organelles, and the physiology of these organelles. This is the first chemical signal detected in cytoplasm residue that can possibly be related to plant physiology. This paves the way for further research on fossil cytoplasm, which will better our understanding on the physiology of fossil plants.

  9. Micro energy-dispersive X-ray fluoresence mapping of enamel and dental materials after chemical erosion.

    PubMed

    Soares, Luís Eduardo Silva; de Oliveira, Rodrigo; Nahórny, Sídnei; Santo, Ana Maria do Espírito; Martin, Airton Abrahão

    2012-10-01

    Energy-dispersive X-ray fluorescence was employed to test the hypothesis that beverage consumption or mouthwash utilization will change the chemical properties of dental materials and enamel mineral content. Bovine enamel samples (n = 45) each received two cavity preparations (n = 90), each pair filled with one of three dental materials (R: nanofilled composite resin; GIC: glass-ionomer cement; RMGIC: resin-modified GIC). Furthermore, they were treated with three different solutions (S: saliva; E: erosion/Pepsi Twist®; or EM: erosion+mouthwash/Colgate Plax®). It was found that mineral loss in enamel was greater in GICE samples than in RE > RMGICE > RMGICEM > REM > GICEM. An increased percentage of Zr was found in REM indicating organic matrix degradation. Dental materials tested (R, GIC, and RMGIC) were not able to protect adjacent enamel from acid erosion by the soft drink tested. The use of mouthwash promoted protection of enamel after erosion by the soft drink. To avoid chemical dissolution by mouthwashes, protection by resin composites with surface sealants is recommended. PMID:23095448

  10. Energy dispersive X-ray fluorescence analysis of mine waters from the Migori Gold Mining Belt in Southern Nyanza, Kenya.

    PubMed

    Odumo, O B; Mustapha, A O; Patel, J P; Angeyo, H K

    2011-09-01

    Analyses of water samples from Mikei, Osiri, Masara and Macalder (Makalda) gold mines of the Migori gold mining belt of Southwestern Kenya were done to determine the level of heavy metals using the Energy Dispersive X-ray Fluorescence technique. The concentrations of the heavy metals were; copper (29.34 ± 5.01-14,975.59 ± 616.14 μg/L); zinc (33.69 ± 4.29-683.15 ± 32.93 μg/L); arsenic (958.16 ± 60.14-18,047.52 ± 175.00 μg/L) and lead (19.51 ± 5.5-214.53 ± 6.29 μg/L). High levels of arsenic and lead were noted. These heavy metals are not only dangerous to the lives of miners and the local inhabitants; they are also a threat to aquatic life since these waters finally find their way into Lake Victoria.

  11. Atomic-scale Chemical Imaging and Quantification of Metallic Alloy Structures by Energy-Dispersive X-ray Spectroscopy

    PubMed Central

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

    2014-01-01

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L21 phase with Ni0.48Co0.52 at A-sites, Al at BΙ-sites and Fe0.20Ti0.80 at BΙΙ-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems. PMID:24492747

  12. An analysis of Mn-Zn ferrite microstructure by impedance spectroscopy, scanning transmission electron microscopy and energy dispersion spectrometry characterizations

    NASA Astrophysics Data System (ADS)

    Loyau, V.; Wang, G.-Y.; Bue, M. Lo; Mazaleyrat, F.

    2012-03-01

    AC (alternative current) resistivity measurement results on Mn-Zn sintered ferrite were analyzed in the 0.1-500 MHz range. From electrical point of view, the material could be represented by an equivalent circuit of parallel resistance-capacitance cells connected in series corresponding to the contributions from bulk grains in one hand, and grain boundary layers in the other hand. The experimental resistivity curves were fitted with the model. The as obtained parameters give information on dielectric properties and conductivity of both bulk grains and boundary layers. For the studied material, it appears that the resistivity at low frequencies is increased 27 times due to the boundary layers effects. Scanning transmission electron microscopy and energy dispersion spectrometry characterization where performed in order to detect impurities at a grain boundary layer which can explain those wide differences between bulk grains and boundary layers electrical properties. It appears that the two components have close chemical compositions, but some calcium impurities segregate at the boundary which increases dramatically the resistivity of these layers. Furthermore, the bulk grains show relative permittivity around 350 at low frequency which is much smaller than the one measured for the whole material which is in the 50,000-100,000 range. This giant-dielectric behavior can be explained by an internal barrier layer at the grain boundaries. At last, the components of classical eddy current losses including losses due to ohmic effects and (true) dielectric losses on both bulk grain and boundary layers are distinguished.

  13. The detection of food soils on stainless steel using energy dispersive X-ray and Fourier transform infrared spectroscopy.

    PubMed

    Whitehead, K A; Benson, P S; Verran, J

    2011-09-01

    Organic soiling is a major issue in the food processing industries, causing a range of biofouling and microbiological problems. Energy dispersive X-ray (EDX) and Fourier transform infra red spectroscopy (FT-IR) were used to quantify and determine the biochemical groups of food soils on stainless steel surfaces. EDX quantified organic material on surfaces where oily based residues predominated, but was limited in its usefulness since other food soils were difficult to detect. FT-IR provided spectral 'fingerprints' for each of the soils tested. Key soiling components were associated with specific peaks, viz. oils at 3025 cm(-1)-3011 cm(-1), proteins at 1698 cm(-1)-1636 cm(-1) and carbohydrates at 1658 cm(-1)-1596 cm(-1), 783 cm(-1)-742 cm(-1). High concentrations of some soils (10%) were needed for detection by both EDX and FT-IR. The two techniques may be of use for quantifying and identifying specific recalcitrant soils on surfaces to improve cleaning and hygiene regimes.

  14. Evaluation of the effect of lichens on ceramic roofing tiles by scanning electron microscopy and energy-dispersive spectroscopy analyses.

    PubMed

    Kiurski, Jelena S; Ranogajec, Jonjaua G; Ujhelji, Agnes L; Radeka, Miroslava M; Bokorov, Milos T

    2005-01-01

    The effect of the actions of some lichens on the quality of ceramic roofing tiles was investigated in view of textural and microstructural changes considering their biocorrosion resistance. Two types (extruded and pressed) of the real ceramic roofing tiles aged 6 to 10 years, as well as the ceramic model systems formed with the additives of the specific chemical composition Cu-slag powder (10 wt%) and CuO powder (1 wt%), treated with various concentrations of oxalic acid (0.01 wt%, 0.1 wt%, and 4 wt%) were investigated. The thalli of lichen (Verrucaria nigrescens) growth on ceramic roofing tile were examined by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS). Investigation by SEM and EDS gave information regarding the ultrastructure characteristics of the thallus and the lichen-ceramic tile contact zone, allowing the observation of the hyphal penetration and filling up of the fissures and cracks by the lichens' hyphae. The CuO as the raw mixture additive changed the quality of the surface of the ceramic model systems as it has increased resistance to oxalic acid actions. The textural changes in the ceramic model systems and the formation of the identified destructive crystal phase, whewellite, were slowed down. The fundamental interactions between lichens and ceramic materials of the model systems have been identified as physico-chemical processes based on oxalic acid actions, which could cause ceramic matrix deterioration and consequently aging of ceramic roofing tile systems.

  15. Time-Resolved Fluorescence Energy Transfer Measurements Between Site-Specific Probes On The Ca-Atpase Of Sarcoplasmic Reticulum In Different Enzymatic States

    NASA Astrophysics Data System (ADS)

    Squier, Thomas C.; Bigelow, Diana J.; Garcia de Ancos, Jorge; Bishop, James E.; Inesi, Giuseppe

    1988-06-01

    We have measured resonance energy transfer between two donor-acceptor pairs localized on different domains of the Ca-ATPase of sarcoplasmic reticulum in order to determine whether changes in tertiary structure accompany active calcium transport. Energy transfer was determined from both steady state intensities and time-resolved lifetimes of 5-(2-((acety1)- amino)ethyDaminonaphthalene-l-sulfonic acid (IAEDANS), specifically bound to the B tryptic fragment, using two acceptors: (1) fluorescein 5'-isothiocyanate (FITC), covalently bound at the nucleotide site, also on the B fragment, and (2) 4-dimethylaminophenylazopheny1-4'- maleimide (DABMI), bound on the Al subfragment. Neither binding of calcium to the high affinity sites nor phosphorylation by inorganic phosphate is accompanied by detectable changes in the distance between IAEDANS and FITC, suggesting that the B fragment does not undergo any large-scale (>1 A) physical distortion under these conditions. On the other hand, measurements of energy transfer from IAEDANS to the acceptor DABMI, on the Al subfragment, demonstrate that phosphorylation with inorganic phosphate or addition of pM VO4 results in increased energy transfer, that is reversible with subsequent addition of calcium. Addition of calcium to the nonphosphorylated enzyme results in no detectable change in energy transfer. The presence of the detergent lysolecithin prevents the phosphate dependent increase in fluorescence energy transfer, suggesting that protein-protein interactions may contribute to the observed change in energy transfer. A direct relationship between an increased degree of protein-protein interactions and phosphoenzyme formation is confirmed by investigations using a reconstituted preparation containing a mixed popu Lation of Ca-ATPase polypeptide chains labeled either with IAEDANS or with DABMI. These results suggest a phosphorylation dependent change in either the affinity or orientation of Ca-ATPase polypeptide chains with respect

  16. Velocity Dispersions Across Bulge Types

    SciTech Connect

    Fabricius, Maximilian; Bender, Ralf; Hopp, Ulrich; Saglia, Roberto; Drory, Niv; Fisher, David

    2010-06-08

    We present first results from a long-slit spectroscopic survey of bulge kinematics in local spiral galaxies. Our optical spectra were obtained at the Hobby-Eberly Telescope with the LRS spectrograph and have a velocity resolution of 45 km/s (sigma*), which allows us to resolve the velocity dispersions in the bulge regions of most objects in our sample. We find that the velocity dispersion profiles in morphological classical bulge galaxies are always centrally peaked while the velocity dispersion of morphologically disk-like bulges stays relatively flat towards the center--once strongly barred galaxies are discarded.

  17. Measurements of electron temperature profiles on Alcator C-Mod using a novel energy-resolving x-ray camera

    NASA Astrophysics Data System (ADS)

    Maddox, J.; Delgado, L.; Pablant, N.; Hill, K. W.; Bitter, M.; Efthimion, P.; Rice, J.

    2015-11-01

    The most common electron temperature diagnostics, Thomson Scattering (TS) and Electron Cyclotron Emission (ECE), both require large diagnostic footprints and expensive optics. Another electron temperature diagnostic is the Pulse-Height-Analysis (PHA) system, which derives the electron temperature from the x-ray bremsstrahlung continuum. However, the main disadvantage of the PHA method is poor temporal resolution of the Si(Li) diode detectors. This paper presents a novel x-ray pinhole camera, which uses a pixilated Pilatus detector that allows single photon counting at a rate 2MHz per pixel and the setting of energy thresholds. The detector configuration is optimized by Shannon-sampling theory, such that spatial profiles of the x-ray continuum intensity can be obtained simultaneously for different energies, in the range from 4 to 16 keV. The exponential-like dependence of the x-ray intensity with photon energies is compared with a model describing the Be filter, attenuation in air, and detector efficiency, as well as different sets of energy thresholds. Electron temperature measurements are compared with TS and ECE measurements. This work was supported by the US DOE Contract No.DE-AC02-09CH11466 and the DoE Summer Undergraduate Laboratory Internship (SULI) program.

  18. Ultrafast energy transfer of one-dimensional excitons between carbon nanotubes: a femtosecond time-resolved luminescence study.

    PubMed

    Koyama, Takeshi; Miyata, Yasumitsu; Asaka, Koji; Shinohara, Hisanori; Saito, Yahachi; Nakamura, Arao

    2012-01-21

    Excitation energy transfer has long been an intriguing subject in the fields of photoscience and materials science. Along with the recent progress of photovoltaics, photocatalysis, and photosensors using nanoscale materials, excitation energy transfer between a donor and an acceptor at a short distance (≤1-10 nm) is of growing importance in both fundamental research and technological applications. This Perspective highlights our recent studies on exciton energy transfer between carbon nanotubes with interwall (surface-to-surface) distances of less than ∼1 nm, which are equivalent to or shorter than the size of one-dimensional excitons in carbon nanotubes. We show exciton energy transfer in bundles of single-walled carbon nanotubes with the interwall distances of ∼0.34 and 0.9 nm (center-to-center distances ∼1.3-1.4 and 1.9 nm). For the interwall distance of ∼0.34 nm (center-to-center distance ∼1.3-1.4 nm), the transfer rate per tube from a semiconducting tube to adjacent semiconducting tubes is (1.8-1.9) × 10(12) s(-1), and that to adjacent metallic tubes is 1.1 × 10(12) s(-1). For the interwall distance of ∼0.9 nm (center-to-center distance ∼1.9 nm), the transfer rate per tube from a semiconducting tube to adjacent semiconducting tubes is 2.7 × 10(11) s(-1). These transfer rates are much lower than those predicted by the Förster model calculation based on a point dipole approximation, indicating the failure of the conventional Förster model calculations. In double-walled carbon nanotubes, which are equivalent to ideal nanoscale coaxial cylinders, we show exciton energy transfer from the inner to the outer tubes. The transfer rate between the inner and the outer tubes with an interwall distance of ∼0.38 nm is 6.6 × 10(12) s(-1). Our findings provide an insight into the energy transfer mechanisms of one-dimensional excitons.

  19. Studies on the formation of polymeric nano-emulsions obtained via low-energy emulsification and their use as templates for drug delivery nanoparticle dispersions.

    PubMed

    Calderó, G; Montes, R; Llinàs, M; García-Celma, M J; Porras, M; Solans, C

    2016-09-01

    Ethylcellulose nanoparticles have been obtained from O/W nano-emulsions of the water/polyoxyethylene 10 oleyl ether/[ethyl acetate+4wt% ethylcellulose] system by low energy-energy emulsification at 25°C. Nano-emulsions with droplet sizes below 200nm and high kinetic stability were chosen for solubilising dexamethasone (DXM). Phase behaviour, conductivity and optical analysis studies of the system have evidenced for the first time that both, the polymer and the drug play a role on the structure of the aggregates formed along the emulsification path. Nano-emulsion formation may take place by both, phase inversion and self-emulsification. Spherical polymeric nanoparticles containing surfactant, showing sizes below 160nm have been obtained from the nano-emulsions by organic solvent evaporation. DXM loading in the nanoparticles was high (>90%). The release kinetics of nanoparticle dispersions with similar particle size and encapsulated DXM but different polymer to surfactant ratio were studied and compared to an aqueous DXM solution. Drug release from the nanoparticle dispersions was slower than from the aqueous solution. While the DXM solution showed a Fickian release pattern, the release behaviour from the nanoparticle dispersions was faster than that expected from a pure Fickian release. A coupled diffusion/relaxation model fitted the results very well, suggesting that polymer chains undergo conformational changes enhancing drug release. The contribution of diffusion and relaxation to drug transport in the nanoparticle dispersions depended on their composition and release time. Surfactant micelles present in the nanoparticle dispersion may exert a mild reservoir effect. The small particle size and the prolonged DXM release provided by the ethylcellulose nanoparticle dispersions make them suitable vehicles for controlled drug delivery applications.

  20. Studies on the formation of polymeric nano-emulsions obtained via low-energy emulsification and their use as templates for drug delivery nanoparticle dispersions.

    PubMed

    Calderó, G; Montes, R; Llinàs, M; García-Celma, M J; Porras, M; Solans, C

    2016-09-01

    Ethylcellulose nanoparticles have been obtained from O/W nano-emulsions of the water/polyoxyethylene 10 oleyl ether/[ethyl acetate+4wt% ethylcellulose] system by low energy-energy emulsification at 25°C. Nano-emulsions with droplet sizes below 200nm and high kinetic stability were chosen for solubilising dexamethasone (DXM). Phase behaviour, conductivity and optical analysis studies of the system have evidenced for the first time that both, the polymer and the drug play a role on the structure of the aggregates formed along the emulsification path. Nano-emulsion formation may take place by both, phase inversion and self-emulsification. Spherical polymeric nanoparticles containing surfactant, showing sizes below 160nm have been obtained from the nano-emulsions by organic solvent evaporation. DXM loading in the nanoparticles was high (>90%). The release kinetics of nanoparticle dispersions with similar particle size and encapsulated DXM but different polymer to surfactant ratio were studied and compared to an aqueous DXM solution. Drug release from the nanoparticle dispersions was slower than from the aqueous solution. While the DXM solution showed a Fickian release pattern, the release behaviour from the nanoparticle dispersions was faster than that expected from a pure Fickian release. A coupled diffusion/relaxation model fitted the results very well, suggesting that polymer chains undergo conformational changes enhancing drug release. The contribution of diffusion and relaxation to drug transport in the nanoparticle dispersions depended on their composition and release time. Surfactant micelles present in the nanoparticle dispersion may exert a mild reservoir effect. The small particle size and the prolonged DXM release provided by the ethylcellulose nanoparticle dispersions make them suitable vehicles for controlled drug delivery applications. PMID:27341306

  1. Resolving Past Liabilities for Future Reduction in Greenhouse Gases; Nuclear Energy and the Outstanding Federal Liability of Spent Nuclear Fuel

    NASA Astrophysics Data System (ADS)

    Donohue, Jay

    This thesis will: (1) examine the current state of nuclear power in the U.S.; (2) provide a comparison of nuclear power to both existing alternative/renewable sources of energy as well as fossil fuels; (3) dissect Standard Contracts created pursuant to the National Waste Policy Act (NWPA), Congress' attempt to find a solution for Spent Nuclear Fuel (SNF), and the designation of Yucca Mountain as a repository; (4) the anticipated failure of Yucca Mountain; (5) explore WIPP as well as attempts to build a facility on Native American land in Utah; (6) examine reprocessing as a solution for SNF used by France and Japan; and, finally, (7) propose a solution to reduce GHG's by developing new nuclear energy plants with financial support from the U.S. government and a solution to build a storage facility for SNF through the sitting of a repository based on a "bottom-up" cooperative federalism approach.

  2. Energy-resolved depth profiling of metal-polymer interfaces using dynamic quadrupole secondary ion mass spectrometry.

    PubMed

    Téllez, Helena; Vadillo, José M; Laserna, J Javier

    2009-08-01

    Quadrupole secondary ion mass spectrometry (qSIMS) characterization of a metallized polypropylene film used in the manufacturing of capacitors has been performed. Ar(+) primary ions were used to preserve the oxidation state of the surface. The sample exhibits an incomplete metallization that made it difficult to determine the exact location of the metal-polymer interface due to the simultaneous contribution of ions with identical m/z values from the metallic and the polymer layers. Energy filtering by means of a 45 degrees electrostatic analyzer allowed resolution of the metal-polymer interface by selecting a suitable kinetic energy corresponding to the ions generated in the metallized layer but not from the polymer. Under these conditions, selective analyses of isobaric interferences such as (27)Al(+) and (27)C(2)H(3) (+) or (43)AlO(+) and (43)C(3)H(7) (+) have been successfully performed.

  3. Fragmentation Reactions of Methionine-Containing Protonated Octapeptides and Fragment Ions Therefrom: An Energy-Resolved Study

    NASA Astrophysics Data System (ADS)

    Harrison, Alex G.

    2013-10-01

    The fragmentation reactions of the MH+ ions as well as the b7, a7, and a7* ions derived therefrom have been studied in detail for the octapeptides MAAAAAAA, AAMAAAAA, AAAAMAAA, and AAAAAAMA. Ionization was by electrospray using a QqToF mass spectrometer, which allowed a study of the evolution of the fragmentation channels as a function of the collision energy. Not surprisingly, the product ion mass spectra for the b7 ions are independent of the original precursor sequence, indicating macrocyclization and reopening to the same mixture of protonated oxazolones prior to fragmentation. The results show that this sequence scrambling results in a distinct preference to place the Met residue in the C-terminal position of the protonated oxazolones. The a7 and a7* ions also produce product ion mass spectra independent of the original peptide sequence. The results for the a7 ions indicate that fragmentation occurs primarily from an amide structure analogous to that observed for a4 ions (Bythell et al. in J Am Chem Soc 132:14766-14779, 2010). Clearly, the rearrangement reaction they have proposed applies equally well to an ions as large as a7. The major fragmentation modes of the MH+ ions at low collision energies produce b7, b6, and b5 ions. As the collision energy is increased further fragmentation of these primary products produces, in part, non-direct sequence ions, which become prominent at lower m/z values, particularly for the peptides with the Met residue near the N-terminus.

  4. Acoustic Rectification in Dispersive Media

    NASA Technical Reports Server (NTRS)

    Cantrell, John H.

    2008-01-01

    It is shown that the shapes of acoustic radiation-induced static strain and displacement pulses (rectified acoustic pulses) are defined locally by the energy density of the generating waveform. Dispersive properties are introduced analytically by assuming that the rectified pulses are functionally dependent on a phase factor that includes both dispersive and nonlinear terms. The dispersion causes an evolutionary change in the shape of the energy density profile that leads to the generation of solitons experimentally observed in fused silica.

  5. ACOUSTIC RECTIFICATION IN DISPERSIVE MEDIA

    SciTech Connect

    Cantrell, John H.

    2009-03-03

    It is shown that the shapes of acoustic radiation-induced static strain and displacement pulses (rectified acoustic pulses) are defined locally by the energy density of the generating waveform. Dispersive properties are introduced analytically by assuming that the rectified pulses are functionally dependent on a phase factor that includes both dispersive and nonlinear terms. The dispersion causes an evolutionary change in the shape of the energy density profile that leads to the generation of solitons experimentally observed in fused silica.

  6. The role of proton mobility in determining the energy-resolved vibrational activation/dissociation channels of N-glycopeptide ions.

    PubMed

    Kolli, Venkata; Roth, Heidi A; De La Cruz, Gabriela; Fernando, Ganga S; Dodds, Eric D

    2015-10-01

    Site-specific glycoproteomic analysis largely hinges on the use of tandem mass spectrometry (MS/MS) to identify glycopeptides. Experiments of this type are usually aimed at drawing connections between individual oligosaccharide structures and their specific sites of attachment to the polypeptide chain. These determinations inherently require ion dissociation methods capable of interrogating both the monosaccharide and amino acid connectivity of the glycopeptide. Collision-induced dissociation (CID) shows potential to satisfy this requirement, as the vibrational activation/dissociation of protonated N-glycopeptides has been observed to access cleavage of either glycosidic bonds of the glycan or amide bonds of the peptide in an energy-resolved manner. Nevertheless, the relative energy requirement for these fragmentation pathways varies considerably among analytes. This research addresses the influence of proton mobility on the vibrational energy necessary to achieve either glycan or peptide cleavage in a collection of protonated N-glycopeptide ions. While greater proton mobility of the precursor ion was found to correlate with lower energy requirements for precursor ion depletion and appearance of glycosidic fragments, the vibrational energy deposition necessary for appearance of peptide backbone fragments showed no relation to the precursor ion proton mobility. These results are consistent with observations suggesting that peptide fragments arise from an intermediate fragment which is generally of lower proton mobility than the precursor ion. Such findings have potential to facilitate the rational selection of CID conditions which are best suited to provide either glycan or peptide cleavage products in MS/MS based N-glycoproteomic analysis.

  7. State-resolved collision energy dependence of Penning ionization cross sections for N sub 2 and CO sub 2 by He*2 sup 3 S

    SciTech Connect

    Ohno, K.; Takami, T.; Mitsuke, K. ); Ishida, T. )

    1991-02-15

    The state-resolved collision-energy dependences of Penning ionization cross sections {sigma}({ital E}) were measured in an energy range (60{lt}{ital E}{lt}400 meV) for N{sub 2} and CO{sub 2} with He*2{sup 3}{ital S} by using a very high-intensity He* beam (1.8{times}10{sup 15} s{sup {minus}1} sr{sup {minus}1}) and detecting energy-analyzed electrons as functions of time-of-flight of He*. The partial ionization cross sections for {Pi} states (N{sup +}{sub 2}{ital B}:{ital A}{sup 2}{Pi}{sub {ital u}}, CO{sup +}{sub 2}{ital B}:{ital X}{sup 2}{Pi}{sub {ital g}}, {ital A}{sup 2}{Pi}{sub {ital u}}) were observed to increase more rapidly with the increase of the collision energy than those for {Sigma} states (N{sup +}{sub 2}{ital B}:{ital X}{sup 2}{Sigma}{sup +}{sub {ital g}}, {ital B}{sup 2}{Sigma}{sup +}{sub {ital u}}, CO{sup +}{sub 2}{ital B}:{ital B}{sup 2}{Sigma}{sup +}{sub {ital u}},{ital C}{sup 2}{Sigma}{sup +}{sub {ital g}}). In the studied energy range, the repulsive walls for end-on collisions were indicated to be harder than those for side-on collisions. The directional peculiarity of the potential surfaces was related to the anisotropy in the hybridization of He* orbitals interacting with the target molecules.

  8. TIME-RESOLVED VIBRATIONAL SPECTROSCOPY

    SciTech Connect

    Andrei Tokmakoff, MIT; Paul Champion, Northeastern University; Edwin J. Heilweil, NIST; Keith A. Nelson, MIT; Larry Ziegler, Boston University

    2009-05-14

    This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE’s Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation of reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all five of DOE’s grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.

  9. Time-resolved ion energy distribution measurements using an advanced neutral particle analyzer on the MST reversed-field pinch.

    PubMed

    Eilerman, S; Anderson, J K; Reusch, J A; Liu, D; Fiksel, G; Polosatkin, S; Belykh, V

    2012-10-01

    An advanced neutral particle analyzer (ANPA) capable of simultaneously measuring hydrogen and deuterium ions of energies up to 45 keV has recently been developed for use on the Madison Symmetric Torus. The charge-to-mass separation allows for separate analysis of bulk deuterium ions and hydrogen ions injected with a 1 MW, 25 keV neutral beam. Orientation of the ANPA allows sampling of different regions of ion velocity space; a radial viewport favors collection of ions with high v(perpendicular)∕|v| while a recently installed tangential viewport favors ions with high v(||)∕|v|, such as those from the core-localized fast ion population created by the neutral beam. Signals are observed in the ANPA's highest energy channels during periodic magnetic reconnection events, which are drivers of anisotropic, non-Maxwellian ion energization in the reversed-field pinch. ANPA signal strength is dependent on the background neutral density, which also increases during magnetic reconnection events, so careful analysis must be performed to identify the true change in the ion distribution. A Monte Carlo neutral particle tracing code (NENE) is used to reconstruct neutral density profiles based on D(α) line emission, which is measured using a 16-chord filtered photodiode array.

  10. Energy-dispersive spectroscopy and electron backscatter diffraction analysis of isothermally aged SAF 2507 type superduplex stainless steel

    NASA Astrophysics Data System (ADS)

    Dobranszky, J.; Szabo, P. J.; Berecz, T.; Hrotko, V.; Portko, M.

    2004-10-01

    Due to thermal effects, several precipitation and segregation processes are known in duplex stainless steels. These microstructural changes influence both of the original phases, but in different ways. Isothermal ageing in a large range of temperature was performed on SAF 2507 type steel. The temperature range was 300-1000 °C, the ageing time was between 100 s and 24 h. This paper discusses the results of ageing at 900 °C. Microstructural changes were investigated by electron microscopy, energy-dispersive spectroscopy and electron backscattered diffraction analysis. This technique allowed the determination of the microstructure of the secondary austenite and sigma phase and their mutual orientation properties. Beside this, thermoelectric power measurements were also performed, which gave information about the kinetics of the precipitation process. Results showed that sigma-phase precipitation started right after 200 s in the case of annealed steel, and faster than 100 s in the cold-rolled state. After 5000 s, the delta-ferrite disappeared. Chemical composition of sigma phase was independent on the ageing time. A small decrease in nickel content was observed with a slight increase of Cr content. Small amount of chi phase had also been observed on the ferrite-ferrite boundaries, but later they changed into sigma phase. Similarly to sigma phase, chi phase showed significant phosphorus enrichment. During ageing, small chrome nitride precipitates developed, which amount increased in time, and some vanadium could be measured in them. The orientation relationship between austenite and sigma phase deviated from Nenno-orientationship with about 24°, and seems to form a [110]‖[310] relationship, which was characteristic right from the beginning of the process, and remains more or less constant.

  11. Applicability of the energy dispersive x-ray microanalysis for quantification of irregular calcium deposits on fruit and leaf cuticles.

    PubMed

    Hunsche, M; Noga, G

    2008-12-01

    In our studies, we evaluated the relation between CaCl(2) concentration and the scanning electron microscope-energy dispersive x-ray microanalysis parameters, net intensity, peak/background and standardized percentage of atoms and percentage of weight after application of single microdroplets on enzymatically isolated tomato fruit cuticles and apple seedling leaves. After analysis, the Ca/Cl ratio was calculated and the area ultimately covered with Ca and Cl within the droplet spread area determined. According to our findings, all evaluated parameters were influenced by both droplet volume and calcium chloride concentration, whereas Pearson's analysis revealed a strong correlation between net intensity and area ultimately covered by Ca or Cl, respectively. Simple linear regressions for net intensity, peak/background and Ca/Cl ratio showed variable determination coefficients (R(2)) ranging between 0.49 and 0.79. Multiple regression equations comprising net intensity, Ca/Cl ratio and deposit area were established to estimate the amount of calcium present on the cuticles. Equation slopes depended on droplet volumes, with determination coefficients of 0.89 and 0.81 for 0.5 and 1.0-microL droplets, respectively. The importance of the physicochemical properties of the spray solution was exploited in another study where a hydrophobic or a hydrophilic adjuvant was added to a 10 g L(-1) CaCl(2) solution, which was applied to apple seedling leaves. The addition of adjuvants increased values of net intensity and peak/background, which correlated significantly with the area covered by calcium. The importance of the methodology for studies on the interaction between leaf applied fertilizers (also extended to agrochemicals) and the characteristics of target surfaces is discussed. PMID:19094022

  12. Effects of industrial noise on circumpulpar dentin--a field emission scanning electron microscopy and energy dispersive spectroscopy analysis.

    PubMed

    Cavacas, Maria Alzira; Tavares, Vitor; Oliveira, Maria João; Oliveira, Pedro; Sezinando, Ana; Martins dos Santos, José

    2013-01-01

    Chronic exposure to Industrial Noise (IN), rich in Low Frequency Noise (LFN), causes systemic fibrotic transformation and sustained stress. Dental wear, significantly increased with exposure to LFN, affects the teeth particularly through the circumpulpar dentin. Our goal is to understand the consequences of IN exposure on the circumpulpar dentin of Wistar rats. 10 Wistar rats were exposed to IN for 4 months, according to an occupationally simulated time schedule and 10 animals were used as age-matched controls. The first and the second upper and lower molars of each animal were processed for observation by Field Emission Scanning Electron Microscopy (FESEM) and Energy Dispersive Spectroscopy (EDS) analysis was performed. In exposed animals FESEM showed a 2.0 to 6.0 μm-dense mineral band between dentin and the pulp with no regular continuity with the tubules. This structure had a few tubules where the odontoblasts processes could be observed embedded within the band and collagen fibers were trapped inside. EDS analysis revealed that it was hydroxyapatite similar to dentin, with a higher carbon content. FESEM results show that the band may be tertiary reparative dentin formed by odontoblast-like cells, but the increased amount of carbon (EDS) could mean that it is sclerotic dentin. IN should be acknowledge as a strong stimulus, able to cause an injury to odontoblasts and to the formation of reparative tertiary dentin, in a process that may accelerate the aging of the teeth, either by direct impact of acoustic pressure pulsations or by increased stress and dental wear.

  13. Effects of industrial noise on circumpulpar dentin - a field emission scanning electron microscopy and energy dispersive spectroscopy analysis

    PubMed Central

    Cavacas, Maria Alzira; Tavares, Vitor; Oliveira, Maria João; Oliveira, Pedro; Sezinando, Ana; Martins dos Santos, José

    2013-01-01

    Chronic exposure to Industrial Noise (IN), rich in Low Frequency Noise (LFN), causes systemic fibrotic transformation and sustained stress. Dental wear, significantly increased with exposure to LFN, affects the teeth particularly through the circumpulpar dentin. Our goal is to understand the consequences of IN exposure on the circumpulpar dentin of Wistar rats. 10 Wistar rats were exposed to IN for 4 months, according to an occupationally simulated time schedule and 10 animals were used as age-matched controls. The first and the second upper and lower molars of each animal were processed for observation by Field Emission Scanning Electron Microscopy (FESEM) and Energy Dispersive Spectroscopy (EDS) analysis was performed. In exposed animals FESEM showed a 2.0 to 6.0 μm-dense mineral band between dentin and the pulp with no regular continuity with the tubules. This structure had a few tubules where the odontoblasts processes could be observed embedded within the band and collagen fibers were trapped inside. EDS analysis revealed that it was hydroxyapatite similar to dentin, with a higher carbon content. FESEM results show that the band may be tertiary reparative dentin formed by odontoblast-like cells, but the increased amount of carbon (EDS) could mean that it is sclerotic dentin. IN should be acknowledge as a strong stimulus, able to cause an injury to odontoblasts and to the formation of reparative tertiary dentin, in a process that may accelerate the aging of the teeth, either by direct impact of acoustic pressure pulsations or by increased stress and dental wear. PMID:24294356

  14. Coordination-resolved local bond contraction and electron binding-energy entrapment of Si atomic clusters and solid skins

    SciTech Connect

    Bo, Maolin; Huang, Yongli; Zhang, Ting; Wang, Yan E-mail: ecqsun@ntu.edu.sg; Zhang, Xi; Li, Can; Sun, Chang Q. E-mail: ecqsun@ntu.edu.sg

    2014-04-14

    Consistency between x-ray photoelectron spectroscopy measurements and density-function theory calculations confirms our bond order-length-strength notation-incorporated tight-binding theory predictions on the quantum entrapment of Si solid skin and atomic clusters. It has been revealed that bond-order deficiency shortens and strengthens the Si-Si bond, which results in the local densification and quantum entrapment of the core and valence electrons. Unifying Si clusters and Si(001) and (111) skins, this mechanism has led to quantification of the 2p binding energy of 96.089 eV for an isolated Si atom, and their bulk shifts of 2.461 eV. Findings evidence the significance of atomic undercoordination that is of great importance to device performance.

  15. Reconstruction of Time-Resolved Neutron Energy Spectra in Z-Pinch Experiments Using Time-of-flight Method

    SciTech Connect

    Rezac, K.; Klir, D.; Kubes, P.; Kravarik, J.

    2009-01-21

    We present the reconstruction of neutron energy spectra from time-of-flight signals. This technique is useful in experiments with the time of neutron production in the range of about tens or hundreds of nanoseconds. The neutron signals were obtained by a common hard X-ray and neutron fast plastic scintillation detectors. The reconstruction is based on the Monte Carlo method which has been improved by simultaneous usage of neutron detectors placed on two opposite sides from the neutron source. Although the reconstruction from detectors placed on two opposite sides is more difficult and a little bit inaccurate (it followed from several presumptions during the inclusion of both sides of detection), there are some advantages. The most important advantage is smaller influence of scattered neutrons on the reconstruction. Finally, we describe the estimation of the error of this reconstruction.

  16. Simple energy balance model resolving the seasons and the continents - Application to the astronomical theory of the ice ages

    NASA Technical Reports Server (NTRS)

    North, G. R.; Short, D. A.; Mengel, J. G.

    1983-01-01

    An analysis is undertaken of the properties of a one-level seasonal energy balance climate model having explicit, two-dimensional land-sea geography, where land and sea surfaces are strictly distinguished by the local thermal inertia employed and transport is governed by a smooth, latitude-dependent diffusion mechanism. Solutions of the seasonal cycle for the cases of both ice feedback exclusion and inclusion yield good agreements with real data, using minimal turning of the adjustable parameters. Discontinuous icecap growth is noted for both a solar constant that is lower by a few percent and a change of orbital elements to favor cool Northern Hemisphere summers. This discontinuous sensitivity is discussed in the context of the Milankovitch theory of the ice ages, and the associated branch structure is shown to be analogous to the 'small ice cap' instability of simpler models.

  17. The TFTR E Parallel B Spectrometer for Mass and Energy Resolved Multi-Ion Charge Exchange Diagnostics

    SciTech Connect

    A.L. Roquemore; S.S. Medley

    1998-01-01

    The Charge Exchange Neutral Analyzer diagnostic for the Tokamak Fusion Test Reactor was designed to measure the energy distributions of both the thermal ions and the supra thermal populations arising from neutral-beam injection and ion cyclotron radio-frequency heating. These measurements yield the plasma ion temperature, as well as several other plasma parameters necessary to provide an understanding of the plasma condition and the performance of the auxiliary heating methods. For this application, a novel charge-exchange spectrometer using a dee-shaped region of parallel electric and magnetic fields was developed at the Princeton Plasma Physics Laboratory. The design and performance of this spectrometer is described in detail, including the effects of exposure of the microchannel plate detector to magnetic fields, neutrons, and tritium.

  18. Phase-resolved X-ray spectroscopy and spectral energy distribution of the X-ray soft polar RS Caeli

    NASA Astrophysics Data System (ADS)

    Traulsen, I.; Reinsch, K.; Schwope, A. D.; Schwarz, R.; Walter, F. M.; Burwitz, V.

    2014-02-01

    Context. RS Cae is the third target in our series of XMM-Newton observations of soft X-ray-dominated polars. Aims: Our observational campaign aims to better understand and describe the multiwavelength data, the physical properties of the system components, and the short- and long-term behavior of the component fluxes in RS Cae. Methods: We employ stellar atmosphere, stratified accretion-column, and widely used X-ray spectral models. We fit the XMM-Newton spectra, model the multiband light curves, and opt for a mostly consistent description of the spectral energy distribution. Results: Our XMM-Newton data of RS Cae are clearly dominated by soft X-ray emission. The X-ray light curves are shaped by emission from the main accretion region, which is visible over the whole orbital cycle, interrupted only by a stream eclipse. The optical light curves are formed by cyclotron and stream emission. The XMM-Newton X-ray spectra comprise a black-body-like and a plasma component at mean temperatures of 36 eV and 7 keV. The spectral fits give evidence of a partially absorbing and a reflection component. Multitemperature models, covering a broader temperature range in the X-ray emitting accretion regions, reproduce the spectra appropriately well. Including archival data, we describe the spectral energy distribution with a combination of models based on a consistent set of parameters and derive a lower limit estimate of the distance d ≳ 750 pc. Conclusions: The high bolometric soft-to-hard flux ratios and short-term variability of the (X-ray) light curves are characteristic of inhomogeneous accretion. RS Cae clearly belongs in the group of polars that show a very strong soft X-ray flux compared to their hard X-ray flux. The different black-body fluxes and similar hard X-ray and optical fluxes during the XMM-Newton and ROSAT observations show that soft and hard X-ray emission are not directly correlated. Based on observations obtained with XMM-Newton, an ESA science mission with

  19. High energy pulses generation with giant spectrum bandwidth and submegahertz repetition rate from a passively mode-locked Yb-doped fiber laser in all normal dispersion cavity

    NASA Astrophysics Data System (ADS)

    Lin, J.-H.; Wang, D.; Lin, K.-H.

    2011-01-01

    Robust passively mode-locked pulse generation with low pulse repetition rate and giant spectrum bandwidth in an all-fiber, all-normal-dispersion ytterbium-doped fiber laser has been experimentally demonstrated using nonlinear polarization evolution technique. The highest pulse energy over 20 nJ with spectrum bandwidth over 50 nm can be experimentally obtained at 175 mW pump power. The mode-locked pulses reveal broadened 3-dB pulsewidth about several nanosecond and widened pedestal in time trace that is resulted from enormous dispersion in laser cavity and gain dynamics. At certain mode-locking state, a spectrum gap around 1056 nm are observed between the three and four energy levels of Yb-doped fiber laser. By properly rotating the polarization controller, the gap can be eliminated due to four-wave mixing to produce more flattened spectrum output.

  20. Time-resolved imaging of the microbunching instability and energy spread at the Linac Coherent Light Source

    NASA Astrophysics Data System (ADS)

    Ratner, D.; Behrens, C.; Ding, Y.; Huang, Z.; Marinelli, A.; Maxwell, T.; Zhou, F.

    2015-03-01

    The microbunching instability (MBI) is a well-known problem for high brightness electron beams and has been observed at accelerator facilities around the world. Free-electron lasers (FELs) are particularly susceptible to MBI, which can distort the longitudinal phase space and increase the beam's slice energy spread (SES). Past studies of MBI at the Linac Coherent Light Source (LCLS) relied on optical transition radiation to infer the existence of microbunching. With the development of the x-band transverse deflecting cavity (XTCAV), we can for the first time directly image the longitudinal phase space at the end of the accelerator and complete a comprehensive study of MBI, revealing both detailed MBI behavior as well as insights into mitigation schemes. The fine time resolution of the XTCAV also provides the first LCLS measurements of the final SES, a critical parameter for many advanced FEL schemes. Detailed MBI and SES measurements can aid in understanding MBI mechanisms, benchmarking simulation codes, and designing future high-brightness accelerators.

  1. Coherent femtosecond low-energy single-electron pulses for time-resolved diffraction and imaging: A numerical study

    SciTech Connect

    Paarmann, A.; Mueller, M.; Ernstorfer, R.; Gulde, M.; Schaefer, S.; Schweda, S.; Maiti, M.; Ropers, C.; Xu, C.; Hohage, T.; Schenk, F.

    2012-12-01

    We numerically investigate the properties of coherent femtosecond single electron wave packets photoemitted from nanotips in view of their application in ultrafast electron diffraction and non-destructive imaging with low-energy electrons. For two different geometries, we analyze the temporal and spatial broadening during propagation from the needle emitter to an anode, identifying the experimental parameters and challenges for realizing femtosecond time resolution. The simple tip-anode geometry is most versatile and allows for electron pulses of several ten of femtosecond duration using a very compact experimental design, however, providing very limited control over the electron beam collimation. A more sophisticated geometry comprising a suppressor-extractor electrostatic unit and a lens, similar to typical field emission electron microscope optics, is also investigated, allowing full control over the beam parameters. Using such a design, we find {approx}230 fs pulses feasible in a focused electron beam. The main limitation to achieve sub-hundred femtosecond time resolution is the typical size of such a device, and we suggest the implementation of more compact electron optics for optimal performance.

  2. A spectral-timing analysis of the kHz QPOs in 4U 1636-53: the frequency-energy resolved RMS spectrum

    NASA Astrophysics Data System (ADS)

    Ribeiro, Evandro M.; Mendez, Mariano; Zhang, Guo-Bao; De Avellar, Márcio G. B.

    2016-07-01

    Our understanding of quasi-periodic oscillations (QPO) has been further advanced in the last few years by the use of combined spectral and timing techniques, and it is now clear that QPO properties are closely related to the spectral state of the source in which they appear. In this work we used all the available RXTE observations of the neutron-star low-mass X-ray binary 4U~1636-53 to study the properties of the kilohertz QPO as a function of energy and frequency. By following the frequency evolution of the kHz QPOs we created frequency-resolved fractional RMS spectra. We also studied the connection between the frequency of the kHz QPOs and the parameters of the model that fits the X-ray energy spectrum. We show the dependence of the QPO properties in a multi-parameter space, and we discuss the implication of our results to the mechanism that produces the QPOs. Our results provide input to the next generation of spectral-timing models, which will help us understand the variability and the environment around the neutron star in these systems.

  3. MOCCA: A 4k-Pixel Molecule Camera for the Position- and Energy-Resolving Detection of Neutral Molecule Fragments at CSR

    NASA Astrophysics Data System (ADS)

    Gamer, L.; Schulz, D.; Enss, C.; Fleischmann, A.; Gastaldo, L.; Kempf, S.; Krantz, C.; Novotný, O.; Schwalm, D.; Wolf, A.

    2016-08-01

    We present the design of MOCCA, a large-area particle detector that is developed for the position- and energy-resolving detection of neutral molecule fragments produced in electron-ion interactions at the Cryogenic Storage Ring at the Max Planck Institute for Nuclear Physics in Heidelberg. The detector is based on metallic magnetic calorimeters and consists of 4096 particle absorbers covering a total detection area of 44.8 mathrm {mm} × 44.8 mathrm {mm}. Groups of four absorbers are thermally coupled to a common paramagnetic temperature sensor where the strength of the thermal link is different for each absorber. This allows attributing a detector event within this group to the corresponding absorber by discriminating the signal rise times. A novel readout scheme further allows reading out all 1024 temperature sensors that are arranged in a 32 × 32 square array using only 16+16 current-sensing superconducting quantum interference devices. Numerical calculations taking into account a simplified detector model predict an energy resolution of Δ E_mathrm {FWHM} le 80 mathrm {eV} for all pixels of this detector.

  4. Amalgam tattoo: report of an unusual clinical presentation and the use of energy dispersive X-ray analysis as an aid to diagnosis

    SciTech Connect

    McGinnis, J.P. Jr.; Greer, J.L.; Daniels, D.S.

    1985-01-01

    An unusual appearing gingival amalgam pigmentation (amalgam tattoo) that completely surrounded the maxillary right first premolar in a 13-year-old boy is presented. Because of the wide distribution and apparent clinical progression of the discoloration, an excisional biopsy was performed. The histopathologic diagnosis of amalgam pigmentation was confirmed in paraffin sections by energy dispersive X-ray microanalysis. Silver, tin, and mercury were detected in the specimen.

  5. A study on identification of the blunt lethal objects of wood, iron, brick and stone in homicide by SEM and EDAX (energy dispersive analysis x-ray).

    PubMed

    Zhu, Y W; Tao, X; Li, Z Q; Chen, L; Zhou, W C

    1989-06-01

    The qualitative and semiquantitative analysis of residues on wound in homicide cases were done by using scanning electron microscope (SEM) and energy dispersive analysis X-ray system (EDAX) in this paper. It provides a new method of examination for identifying lethal objects in homicidal cases. Our experiment provides some advantages in these examinations, such as saving time, objective conclusion and exact results in practical cases.

  6. Determination and speciation of trace and ultratrace selenium ions by energy-dispersive X-ray fluorescence spectrometry using graphene as solid adsorbent in dispersive micro-solid phase extraction.

    PubMed

    Kocot, Karina; Leardi, Riccardo; Walczak, Beata; Sitko, Rafal

    2015-03-01

    A dispersive micro-solid phase extraction (DMSPE) with graphene as a solid adsorbent and ammonium pyrrolidinedithiocarbamate (APDC) as a chelating agent was proposed for speciation and detemination of inorganic selenium by the energy-dispersive X-ray fluorescence spectrometry (EDXRF). In developed DMSPE, graphene particles are dispersed throughout the analyzed solution, therefore reaction between Se(IV)-APDC complexes and graphene nanoparticles occurs immediately. The concentration of Se(VI) is calculated as the difference between the concentration of selenite after and before prereduction of selenate. A central composite face-centered design with 3 center points was performed in order to optimize conditions and to study the effect of four variables (pH of the sample, concentration of APDC, concentration of Triton-X-100, and sample volume). The best results were obtained when suspension consisting of 200 µg of graphene nanosheets, 1.2 mg of APDC and 0.06 mg of Triton-X-100 was rapidly injected to the 50 mL of the analyzed solution. Under optimized conditions Se ions can be determined with a very good recovery (97.7±5.0% and 99.2±6.6% for Se(IV) and Se(VI), respectively) and precision (RSD=5.1-6.6%). Proposed DMSPE/EDXRF procedure allowed to obtain low detection limits (0.032 ng mL(-1)) and high enrichment factor (1013±15). The proposed methodology was successfully applied for the determination of Se in mineral, tap, lake and sea water samples as well as in biological materials (Lobster Hepatopancreas and Pig Kidney).

  7. Determination and speciation of trace and ultratrace selenium ions by energy-dispersive X-ray fluorescence spectrometry using graphene as solid adsorbent in dispersive micro-solid phase extraction.

    PubMed

    Kocot, Karina; Leardi, Riccardo; Walczak, Beata; Sitko, Rafal

    2015-03-01

    A dispersive micro-solid phase extraction (DMSPE) with graphene as a solid adsorbent and ammonium pyrrolidinedithiocarbamate (APDC) as a chelating agent was proposed for speciation and detemination of inorganic selenium by the energy-dispersive X-ray fluorescence spectrometry (EDXRF). In developed DMSPE, graphene particles are dispersed throughout the analyzed solution, therefore reaction between Se(IV)-APDC complexes and graphene nanoparticles occurs immediately. The concentration of Se(VI) is calculated as the difference between the concentration of selenite after and before prereduction of selenate. A central composite face-centered design with 3 center points was performed in order to optimize conditions and to study the effect of four variables (pH of the sample, concentration of APDC, concentration of Triton-X-100, and sample volume). The best results were obtained when suspension consisting of 200 µg of graphene nanosheets, 1.2 mg of APDC and 0.06 mg of Triton-X-100 was rapidly injected to the 50 mL of the analyzed solution. Under optimized conditions Se ions can be determined with a very good recovery (97.7±5.0% and 99.2±6.6% for Se(IV) and Se(VI), respectively) and precision (RSD=5.1-6.6%). Proposed DMSPE/EDXRF procedure allowed to obtain low detection limits (0.032 ng mL(-1)) and high enrichment factor (1013±15). The proposed methodology was successfully applied for the determination of Se in mineral, tap, lake and sea water samples as well as in biological materials (Lobster Hepatopancreas and Pig Kidney). PMID:25618680

  8. Determination of the sequence of intersecting lines from laser toner and seal ink by Fourier transform infrared microspectroscopy and scanning electron microscope / energy dispersive X-ray mapping.

    PubMed

    Wang, Yuanfeng; Li, Bing

    2012-06-01

    The aim of this study was to verify that the combination of Fourier transform infrared microspectroscopy and scanning electron microscope / energy dispersive X-ray mapping could be applied to line intersection problems. The spectral data of red seal ink, laser toner and their intersections, such as peak location and peak intensity, were described. Relative peak height ratios of different chemical components in intersecting lines were used to distinguish the sequences. Energy dispersive X-ray mapping characteristics of intersecting areas were also detailed. The results show that both the laser toner and the seal ink appear on the surface of intersections, regardless of the sequence. The distribution of the two inks on the surface is influenced not only by the sequence of heterogeneous lines but also by diffusion. Fourier transform infrared microspectroscopy and scanning electron microscope/energy dispersive X-ray mapping are able to explore the chemical components and the corresponding elemental distribution in the intersections. The combination of these two techniques has provided a reliable method for sequencing intersecting lines of red seal ink and laser toner, and more importantly, this method may be a basis for sequencing superimposed lines from other writing instruments.

  9. Investigation of the quaternary structure of an ABC transporter in living cells using spectrally resolved resonance energy transfer

    NASA Astrophysics Data System (ADS)

    Singh, Deo Raj

    Forster resonance energy transfer (FRET) has become an important tool to study proteins inside living cells. It has been used to explore membrane protein folding and dynamics, determine stoichiometry and geometry of protein complexes, and measure the distance between two molecules. In this dissertation, we use a method based on FRET and optical micro-spectroscopy (OptiMiS) technology, developed in our lab, to probe the structure of dynamic (as opposed to static) protein complexes in living cells. We use this method to determine the association stoichiometry and quaternary structure of an ABC transporter in living cells. Specifically, the transporter we investigate originates from the pathogen Pseudomonas aeruginosa, which is a Gram-negative bacterium with several virulence factors, lipopolysaccharides being one of them. This pathogen coexpresses two unique forms of lipopolysaccharides on its surface, the A- and B-bands. The A-band polysaccharides, synthesized in the cytoplasm, are translocated into the periplasm through an ATP-binding-cassette (ABC) transporter consisting of a transmembranar protein, Wzm, and a nucleotide-binding protein, Wzt. In P. aeruginosa, all of the biochemical studies of A-band LPS are concentrated on the stages of the synthesis and ligation of polysaccharides (PSs), leaving the export stage involving ABC transporter unexplored. The mode of PS export through ABC transporters is still unknown. This difficulty is due to the lack of information about sub-unit composition and structure of this bi-component ABC transporter. Using the FRET-OptiMiS combination method developed by our lab, we found that Wzt forms a rhombus-shaped homo-tetramer which becomes a square upon co-expression with Wzm, and that Wzm forms a square-shaped homo-tetramer both in the presence and absence of Wzt. Based on these results, we propose a structural model for the double-tetramer complex formed by the bi-component ABC transporter in living cells. An understanding of the

  10. Departures from the Energy-Biodiversity Relationship in South African Passerines: Are the Legacies of Past Climates Mediated by Behavioral Constraints on Dispersal?

    PubMed Central

    Péron, Guillaume; Altwegg, Res

    2015-01-01

    Legacies of paleoclimates in contemporary biodiversity patterns have mostly been investigated with global datasets, or with weakly dispersive organisms, and as a consequence been interpreted in terms of geographical or physical constraints. If paleoclimatic legacies also occurred at the regional scale in the distributions of vagile organisms within biomes, they would rather suggest behavioral constraints on dispersal, i.e., philopatric syndromes. We examined 1) the residuals of the regression between contemporary energy and passerine species richness in South African biomes and 2) phylogenetic dispersion of passerine assemblages, using occupancy models and quarter-degree resolution citizen science data. We found a northeast to southwest gradient within mesic biomes congruent with the location of Quaternary mesic refugia, overall suggesting that as distance from refugia increased, more clades were lacking from local assemblages. A similar but weaker pattern was detected in the arid Karoo Biomes. In mobile organisms such as birds, behavioral constraints on dispersal appear strong enough to influence species distributions thousands of years after historical range contractions. PMID:26208300

  11. Adjustable rheology of fumed silica dispersion in urethane prepolymers: Composition-dependent sol and gel behaviors and energy-mediated shear responses

    SciTech Connect

    Zheng, Zhong Song, Yihu Wang, Xiang Zheng, Qiang

    2015-07-15

    Variation of colloidal and interfacial interactions leads to a microstructural diversity in fumed silica dispersions exhibiting absolutely different sol- or gel-like rheological responses. In this study, fumed silicas with different surface areas (200–400 m{sup 2}/g) and surface characteristics (hydrophilic or hydrophobic) are dispersed into moisture-cured polyurethane. The microstructures investigated using transmission electron microscope are associated perfectly with three different rheological behaviors: (i) Sols with well-dispersed silica aggregates, (ii) weak gels with agglomerate-linked networks, and (iii) strong gels with concentrated networks of large agglomerates. Though sols and gels are well distinguished by shear thickening or sustained thinning response through steady shear flow test, it is interesting that the sols and weak gels exhibit a uniform modulus plateau-softening-hardening-softening response with increasing dynamic strain at frequency 10 rad s{sup −1} while the strong gels show a sustained softening beyond the linear regime. Furthermore, the onset of softening and hardening can be normalized: The two softening are isoenergetic at mechanical energies of 0.3 J m{sup −3} and 10 kJ m{sup −3}. On the other hand, the hardening is initiated by a critical strain of 60%. The mechanisms involved in the generation of the sol- and the gel-like dispersions and their structural evolutions during shear are thoroughly clarified in relation to the polyols, the characteristic and content of silica and the curing catalysts.

  12. Methanol clusters (CH3OH)n: putative global minimum-energy structures from model potentials and dispersion-corrected density functional theory.

    PubMed

    Kazachenko, Sergey; Bulusu, Satya; Thakkar, Ajit J

    2013-06-14

    Putative global minima are reported for methanol clusters (CH3OH)n with n ≤ 15. The predictions are based on global optimization of three intermolecular potential energy models followed by local optimization and single-point energy calculations using two variants of dispersion-corrected density functional theory. Recurring structural motifs include folded and/or twisted rings, folded rings with a short branch, and stacked rings. Many of the larger structures are stabilized by weak C-H···O bonds.

  13. Elemental analysis of sunflower cataract in Wilson's disease: a study using scanning transmission electron microscopy and energy dispersive spectroscopy.

    PubMed

    Jang, Hyo Ju; Kim, Joon Mo; Choi, Chul Young

    2014-04-01

    Signature ophthalmic characteristics of Wilson's disease (WD) are regarded as diagnostically important manifestations of the disease. Previous studies have proved the common occurrence of copper accumulation in the liver of patients with WD. However, in the case of sunflower cataracts, one of the rare diagnostic signs of WD, no study has demonstrated copper accumulation in the lens capsules of sunflower cataracts in WD patients. To investigate the nanostructure and elemental composition of sunflower cataracts in WD, transmission electron microscopy (TEM) was done on the capsulorhexised anterior lens capsule of sunflower cataracts in WD in order to evaluate anatomical variation and elemental changes. We utilized energy dispersive X-ray spectroscopy (EDS) to investigate the elemental composition of the lens capsule using both point and mapping spectroscopy. Quantitative analysis was performed for relative comparison of the elements. TEM showed the presence of granular deposits of varying size (20-350 nm), appearing mainly in the posterior one third of the anterior capsule. The deposits appeared in linear patterns with scattered dots. There were no electron-dense particles in the epithelial cell layer of the lens. Copper and sulfur peaks were consistently revealed in electron-dense granular deposits. In contrast, copper and sulfur peaks were absent in other tissues, including granule-free lens capsules and epithelial tissue. Most copper was exclusively located in clusters of electron-dense particles, and the copper distribution overlapped with sulfur on mapping spectroscopy. Quantitative analysis presented inconsistent ratios of copper to sulfur in each electron-dense granule. The mean ratio of copper to sulfur was about 3.25 (with a range of 2.39-3.78). This is the first elemental analysis of single electron particles in sunflower cataracts using EDS in the ophthalmic area. Sunflower cataracts with WD are assumed to be the result of accumulation of heterogeneous

  14. Combination of electron energy-loss spectroscopy and energy dispersive x-ray spectroscopy to determine indium concentration in InGaN thin film structures

    NASA Astrophysics Data System (ADS)

    Wang, X.; Chauvat, M. P.; Ruterana, P.; Walther, T.

    2015-11-01

    We demonstrate a method to determine the indium concentration, x, of In x Ga1-x N thin films by combining plasmon excitation studies in electron energy-loss spectroscopy (EELS) with a novel way of quantification of the intensity of x-ray lines in energy-dispersive x-ray spectroscopy (EDXS). The plasmon peak in EELS of InGaN is relatively broad. We fitted a Lorentz function to the main plasmon peak to suppress noise and the influence from the neighboring Ga 3d transition in the spectrum, which improves the precision in the evaluation of the plasmon peak position. As the indium concentration of InGaN is difficult to control during high temperature growth due to partial In desorption, the nominal indium concentrations provided by the growers were not considered reliable. The indium concentration obtained from EDXS quantification using Oxford Instrument ISIS 300 x-ray standard quantification software often did not agree with the nominal indium concentration, and quantification using K and L lines was inconsistent. We therefore developed a self-consistent iterative procedure to determine the In content from thickness-dependent k-factors, as described in recent work submitted to Journal of Microscopy. When the plasmon peak position is plotted versus the indium concentration from EDXS we obtain a linear relationship over the whole compositional range, and the standard error from linear least-squares fitting shows that the indium concentration can be determined from the plasmon peak position to within Δx = ± 0.037 standard deviation.

  15. [Energy-dispersive x-ray fluorescence spectrometry--a forensic chemistry method for determination of shooting distance].

    PubMed

    Havel, J

    2003-10-01

    The article follows up the experiences Energo-dispersive X-ray fluorescence spectrometry (EDXRF) as the forensic necrochemical method as the tool for detection of metals (gunshot residues--GSR) in connection with gunshot-wounds of persons--authors: dipl. Ing. J. Havel and dipl. Ing. K. Zelenka and Energo-dispersive X-ray fluorescence spectrometry (EDXRF) as the forensic method as the tool for identification of inlets (gunshot--entries) and outlets (gunshot--exits)--author: dipl. Ing. J. Havel.

  16. Angle-resolved photoemission study of Ag(1 1 1)

    NASA Astrophysics Data System (ADS)

    Edamoto, K.; Miyazaki, E.; Shimokoshi, K.; Kato, H.

    1990-01-01

    The (1 1 1) face of Ag has been studied by angle-resolved photoemission spectroscopy utilizing synchrotron radiation as the excitation source (25 <= hv <= 50eV). The overlapping Ag 4d bands were deconvolved by the modified FIRO method. The peak positions thus determined are used to map the dispersion curves along the lang1 1 1rang (Γ-L) direction. The results show general agreement with calculated band structure, so far as the energy levels and symmetries are concerned. However, it is found that the density of state effect is dominant in the spectra obtained in the present photon energy region. The emission from the Ag 5s, p bands is observed to be broadened due to the indirect transition process.

  17. Collision-energy-resolved penning ionization electron spectroscopy of glycine with He(2(3)S) metastable atoms: conformational isomers in collisional ionization.

    PubMed

    Yamakita, Yoshihiro; Ohno, Koichi

    2009-10-01

    Conformationally dependent ionization of the simplest amino acid, glycine, is studied by Penning ionization electron spectroscopy with velocity-resolved metastable He*(2(3)S) atoms. The observed He I ultraviolet photoelectron and Penning ionization electron spectra are reproduced by superimposed theoretical spectra, assuming thermal distributions of conformers. The conformations of amino acids are determined by analyzing the observed Penning ionization cross sections, peak shifts, and collision energy dependences of partial ionization cross sections (CEDPICS). The Penning ionization cross sections are governed by collisionally accessible exterior electron densities. When the amino and carbonyl groups are exposed to He* access, the nonbonding orbitals of N (n(N)) and O atoms (n(O)) give rise to strong bands. The observed negative peak shifts and negative CEDPICS for the n(N) and n(O) orbitals suggest the presence of attractive interactions around their electron distributions. The most attractive wells are estimated to be approximately 400 meV in the direction of the n(N) orbitals by ab initio model calculations. A conformer possessing dual hydrogen bonds contributes predominantly to the spectra.

  18. Development of a time-resolved fluorescence resonance energy transfer assay for cyclin-dependent kinase 4 and identification of its ATP-noncompetitive inhibitors.

    PubMed

    Lo, Mei-Chu; Ngo, Rachel; Dai, Kang; Li, Cong; Liang, Lingming; Lee, Josie; Emkey, Renee; Eksterowicz, John; Ventura, Manuel; Young, Stephen W; Xiao, Shou-Hua

    2012-02-15

    Protein kinases are recognized as important drug targets due to the pivotal roles they play in human disease. Many kinase inhibitors are ATP competitive, leading to potential problems with poor selectivity and significant loss of potency in vivo due to cellular ATP concentrations being much higher than K(m). Consequently, there has been growing interest in the development of ATP-noncompetitive inhibitors to overcome these problems. There are challenges to identifying ATP-noncompetitive inhibitors from compound library screens because ATP-noncompetitive inhibitors are often weaker and commonly excluded by potency-based hit selection criteria in favor of abundant and highly potent ATP-competitive inhibitors in screening libraries. Here we report the development of a time-resolved fluorescence resonance energy transfer (TR-FRET) assay for protein kinase cyclin-dependent kinase 4 (CDK4) and the identification of ATP-noncompetitive inhibitors by high-throughput screening after employing a strategy to favor this type of inhibitors. We also present kinetic characterization that is consistent with the proposed mode of inhibition.

  19. Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy

    PubMed Central

    Okamoto, Norihiko L.; Fujimoto, Shu; Kambara, Yuki; Kawamura, Marino; Chen, Zhenghao M. T.; Matsunoshita, Hirotaka; Tanaka, Katsushi; Inui, Haruyuki; George, Easo P.

    2016-01-01

    High-entropy alloys (HEAs) comprise a novel class of scientifically and technologically interesting materials. Among these, equatomic CrMnFeCoNi with the face-centered cubic (FCC) structure is noteworthy because its ductility and strength increase with decreasing temperature while maintaining outstanding fracture toughness at cryogenic temperatures. Here we report for the first time by single-crystal micropillar compression that its bulk room temperature critical resolved shear stress (CRSS) is ~33–43 MPa, ~10 times higher than that of pure nickel. CRSS depends on pillar size with an inverse power-law scaling exponent of –0.63 independent of orientation. Planar ½ < 110 > {111} dislocations dissociate into Shockley partials whose separations range from ~3.5–4.5 nm near the screw orientation to ~5–8 nm near the edge, yielding a stacking fault energy of 30 ± 5 mJ/m2. Dislocations are smoothly curved without any preferred line orientation indicating no significant anisotropy in mobilities of edge and screw segments. The shear-modulus-normalized CRSS of the HEA is not exceptionally high compared to those of certain concentrated binary FCC solid solutions. Its rough magnitude calculated using the Fleischer/Labusch models corresponds to that of a hypothetical binary with the elastic constants of our HEA, solute concentrations of 20–50 at.%, and atomic size misfit of ~4%. PMID:27775026

  20. A time-resolved fluorescence resonance energy transfer assay suitable for high-throughput screening for inhibitors of immunoglobulin E-receptor interactions.

    PubMed

    Kim, Beomkyu; Tarchevskaya, Svetlana S; Eggel, Alexander; Vogel, Monique; Jardetzky, Theodore S

    2012-12-15

    The interaction of immunoglobulin E (IgE) antibodies with the high-affinity receptor, FcεRI, plays a central role in initiating most allergic reactions. The IgE-receptor interaction has been targeted for treatment of allergic diseases, and many high-affinity macromolecular inhibitors have been identified. Small molecule inhibitors would offer significant advantages over current anti-IgE treatment, but no candidate compounds have been identified and fully validated. Here, we report the development of a time-resolved fluorescence resonance energy transfer (TR-FRET) assay for monitoring the IgE-receptor interaction. The TR-FRET assay measures an increase in fluorescence intensity as a donor lanthanide fluorophore is recruited into complexes of site-specific Alexa Fluor 488-labeled IgE-Fc and His-tagged FcεRIα proteins. The assay can readily monitor classic competitive inhibitors that bind either IgE-Fc or FcεRIα in equilibrium competition binding experiments. Furthermore, the TR-FRET assay can also be used to follow the kinetics of IgE-Fc-FcεRIα dissociation and identify inhibitory ligands that accelerate the dissociation of preformed complexes, as demonstrated for an engineered DARPin (designed ankyrin repeat protein) inhibitor. The TR-FRET assay is suitable for high-throughput screening (HTS), as shown by performing a pilot screen of the National Institutes of Health (NIH) Clinical Collection Library in a 384-well plate format.

  1. Study of strain propagation in laser irradiated silicon crystal by time-resolved diffraction of K-{alpha} x-ray probe of different photon energies

    SciTech Connect

    Arora, V.; Bagchi, S.; Chakera, J. A.; Naik, P. A.; Gupta, P. D.; Gupta, M.; Gupta, A.; Chaddah, P.

    2013-07-14

    An experimental study on the time resolved x-ray diffraction from laser shocked silicon crystal, carried out using a 10 TW Ti:sapphire laser system, is presented. The characteristic K{sub {alpha}} x-ray line radiation generated by 45 fs laser produced plasmas of two different target materials (iron and copper) is used as the probe, whereas the stretched pulse of sub-nanosecond duration (pump), derived from the same laser, is used to compress the sample. The use of x-ray probe of different photon energies yields information about the strain over a greater crystal depth. The dynamics of the strain propagation is inferred by monitoring the evolution of rocking curve width of the shocked sample at different time delays between the pump and the probe pulse. The shock velocity deduced from these measurements is {approx}10{sup 6} cm/s, consistent with the sound velocity in bulk silicon. The maximum elastic compression observed is 0.4%, indicating a pressure of 0.8 GPa.

  2. Dispersion Modeling.

    ERIC Educational Resources Information Center

    Budiansky, Stephen

    1980-01-01

    This article discusses the need for more accurate and complete input data and field verification of the various models of air pollutant dispension. Consideration should be given to changing the form of air quality standards based on enhanced dispersion modeling techniques. (Author/RE)

  3. Generation of high energy square-wave pulses in all anomalous dispersion Er:Yb passive mode locked fiber ring laser.

    PubMed

    Semaan, Georges; Ben Braham, Fatma; Salhi, Mohamed; Meng, Yichang; Bahloul, Faouzi; Sanchez, François

    2016-04-18

    We have experimentally demonstrated square pulses emission from a co-doped Er:Yb double-clad fiber laser operating in anomalous dispersion DSR regime using the nonlinear polarization evolution technique. Stable mode-locked pulses have a repetition rate of 373 kHz with 2.27 µJ energy per pulse under a pumping power of 30 W in cavity. With the increase of pump power, both the duration and the energy of the output square pulses broaden. The experimental results demonstrate that the passively mode-locked fiber laser operating in the anomalous regime can also realize a high-energy pulse, which is different from the conventional low-energy soliton pulse.

  4. Energy-resolved collision-induced dissociation studies of 1,10-phenanthroline complexes of the late first-row divalent transition metal cations: determination of the third sequential binding energies.

    PubMed

    Nose, Holliness; Chen, Yu; Rodgers, M T

    2013-05-23

    The third sequential binding energies of the late first-row divalent transition metal cations to 1,10-phenanthroline (Phen) are determined by energy-resolved collision-induced dissociation (CID) techniques using a guided ion beam tandem mass spectrometer. Five late first-row transition metal cations in their +2 oxidation states are examined including: Fe(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+). The kinetic energy dependent CID cross sections for loss of an intact Phen ligand from the M(2+)(Phen)3 complexes are modeled to obtain 0 and 298 K bond dissociation energies (BDEs) after accounting for the effects of the internal energy of the complexes, multiple ion-neutral collisions, and unimolecular decay rates. Electronic structure theory calculations at the B3LYP, BHandHLYP, and M06 levels of theory are employed to determine the structures and theoretical estimates for the first, second, and third sequential BDEs of the M(2+)(Phen)x complexes. B3LYP was found to deliver results that are most consistent with the measured values. Periodic trends in the binding of these complexes are examined and compared to the analogous complexes to the late first-row monovalent transition metal cations, Co(+), Ni(+), Cu(+), and Zn(+), previously investigated. PMID:23565706

  5. History of Resistance Welding Oxide Dispersion Strengthened Cladding and other High Temperature Materials at Center for Advanced Energy Studies

    SciTech Connect

    Larry Zirker; Nathan Jerred; Dr. Indrajit Charit; James Cole

    2012-03-01

    Research proposal 08-1079, 'A Comparative Study of Welded ODS Cladding Materials for AFCI/GNEP,' was funded in 2008 under an Advanced Fuel Cycle Initiative (AFCI) Research and Development Funding Opportunity, number DE-PS07-08ID14906. Th proposal sought to conduct research on joining oxide dispersion strengthen (ODS) tubing material to a solid end plug. This document summarizes the scientific and technical progress achieved during the project, which ran from 2008 to 2011.

  6. Fog dispersion

    NASA Technical Reports Server (NTRS)

    Frost, W.; Christensen, L. S.; Collins, F. G.; Camp, D. W.

    1980-01-01

    A study of economically viable techniques for dispersing warm fog at commercial airports is presented. Five fog dispersion techniques are examined: evaporation suppression, downwash, mixing, seeding with hygroscopic material, thermal techniques, and charged particle techniques. Thermal techniques, although effective, were found to be too expensive for routine airport operations, and detrimental to the environment. Seeding or helicopter downwash are practical for small-scale or temporary fog clearing, but are probably not useful for airport operations on a routine basis. Considerable disagreement exists on the capability of charged particle techniques, which stems from the fact that different assumptions and parameter values are used in the analytical models. Recommendations resulting from the review of this technique are listed, and include: experimental measurements of the parameters in question; a study to ascertain possible safety hazards, such as increased electrical activity or fuel ignition during refueling operations which could render charged particle techniques impractical; and a study of a single charged particle generator.

  7. Application of melt extrusion in the development of a physically and chemically stable high-energy amorphous solid dispersion of a poorly water-soluble drug.

    PubMed

    Lakshman, Jay P; Cao, Yu; Kowalski, James; Serajuddin, Abu T M

    2008-01-01

    Formulation of active pharmaceutical ingredients (API) in high-energy amorphous forms is a common strategy to enhance solubility, dissolution rate and, consequently, oral bioavailability of poorly water-soluble drugs. Amorphous APIs are, however, susceptible to recrystallization and, therefore, there is a need to physically stabilize them as solid dispersions in polymeric carriers. Hot melt extrusion has in recent years gained wide acceptance as a method of choice for the preparation of solid dispersions. There is a potential that the API, the polymer or both may degrade if excessively high temperature is needed in the melt extrusion process, especially when the melting point of the API is high. This report details a novel method where the API was first converted to an amorphous form by solvent evaporation and then melt-extruded with a suitable polymer at a drug load of at least 20% w/w. By this means, melt extrusion could be performed much below the melting temperature of the drug substance. Since the glass transition temperature of the amorphous drug was lower than that of the polymer used, the drug substance itself served as the plasticizer for the polymer. The addition of surfactants in the matrix enhanced dispersion and subsequent dissolution of the drug in aqueous media. The amorphous melt extrusion formulations showed higher bioavailability than formulations containing the crystalline API. There was no conversion of amorphous solid to its crystalline form during accelerated stability testing of dosage forms.

  8. Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: equilateral triangle and collinear configurations.

    PubMed

    Salam, A

    2013-12-28

    The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-ordered diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R(-11) dependence on separation distance for the DDQ interaction, and an R(-13) behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R(-1) in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift. PMID:24387355

  9. Higher-order electric multipole contributions to retarded non-additive three-body dispersion interaction energies between atoms: Equilateral triangle and collinear configurations

    SciTech Connect

    Salam, A.

    2013-12-28

    The theory of molecular quantum electrodynamics (QED) is used to calculate higher electric multipole contributions to the dispersion energy shift between three atoms or molecules arranged in a straight line or in an equilateral triangle configuration. As in two-body potentials, three-body dispersion interactions are viewed in the QED formalism to arise from exchange of virtual photons between coupled pairs of particles. By employing an interaction Hamiltonian that is quadratic in the electric displacement field means that third-order perturbation theory can be used to yield the energy shift for a particular combination of electric multipole polarizable species, with only six time-ordered diagrams needing to be summed over. Specific potentials evaluated include dipole-dipole-quadrupole (DDQ), dipole-quadrupole-quadrupole (DQQ), and dipole-dipole-octupole (DDO) terms. For the geometries of interest, near-zone limiting forms are found to exhibit an R{sup −11} dependence on separation distance for the DDQ interaction, and an R{sup −13} behaviour for DQQ and DDO shifts, agreeing with an earlier semi-classical computation. Retardation weakens the potential in each case by R{sup −1} in the far-zone. It is found that by decomposing the octupole moment into its irreducible components of weights-1 and -3 that the former contribution to the DDO potential may be taken to be a higher-order correction to the leading triple dipole energy shift.

  10. SPATIALLY RESOLVING A STARBURST GALAXY AT HARD X-RAY ENERGIES: NuSTAR, CHANDRA, AND VLBA OBSERVATIONS OF NGC 253

    SciTech Connect

    Wik, D. R.; Lehmer, B. D.; Hornschemeier, A. E.; Yukita, M.; Ptak, A.; Venters, T.; Zhang, W. W.; Zezas, A.; Antoniou, V.; Argo, M. K.; Bechtol, K.; Boggs, S.; Craig, W.; Krivonos, R.; Christensen, F.; Hailey, C.; Harrison, F.; Maccarone, T. J.; Stern, D.

    2014-12-20

    Prior to the launch of NuSTAR, it was not feasible to spatially resolve the hard (E > 10 keV) emission from galaxies beyond the Local Group. The combined NuSTAR data set, comprised of three ∼165 ks observations, allows spatial characterization of the hard X-ray emission in the galaxy NGC 253 for the first time. As a follow up to our initial study of its nuclear region, we present the first results concerning the full galaxy from simultaneous NuSTAR, Chandra, and Very Long Baseline Array monitoring of the local starburst galaxy NGC 253. Above ∼10 keV, nearly all the emission is concentrated within 100'' of the galactic center, produced almost exclusively by three nuclear sources, an off-nuclear ultraluminous X-ray source (ULX), and a pulsar candidate that we identify for the first time in these observations. We detect 21 distinct sources in energy bands up to 25 keV, mostly consisting of intermediate state black hole X-ray binaries. The global X-ray emission of the galaxy—dominated by the off-nuclear ULX and nuclear sources, which are also likely ULXs—falls steeply (photon index ≳ 3) above 10 keV, consistent with other NuSTAR-observed ULXs, and no significant excess above the background is detected at E > 40 keV. We report upper limits on diffuse inverse Compton emission for a range of spatial models. For the most extended morphologies considered, these hard X-ray constraints disfavor a dominant inverse Compton component to explain the γ-ray emission detected with Fermi and H.E.S.S. If NGC 253 is typical of starburst galaxies at higher redshift, their contribution to the E > 10 keV cosmic X-ray background is <1%.

  11. A Dual Readout Assay Based on Fluorescence Polarization and Time-Resolved Fluorescence Resonance Energy Transfer to Screen for RSK1 Inhibitors.

    PubMed

    Jeong, Eun-mi; Lee, Mi Young; Lee, Jeong Hyun; Lee, Byung Ho; Oh, Kwang-Seok

    2016-01-01

    A dual readout assay based on fluorescence polarization (FP) and time-resolved fluorescence resonance energy transfer (TR-FRET) exhibits many advantages over single assay technology in terms of screening quality and efficiency. In this study, we developed a dual readout assay combining FP and TR-FRET to identify ribosomal S6 kinase 1 (RSK1) inhibitors. This dual readout assay can monitor both FP and TR-FRET signals from a single RSK1 kinase reaction by using the immobilized metal affinity for phosphochemical (IMAP)-based assay. The Z' value and signal to background (S/B) ratio were 0.85 and 4.0 using FP, and 0.79 and 10.6 using TR-FRET, which led to performance of a pilot library screening against the drug repositioning set consisting of 2320 compounds with a reasonable reproducibility. From this screening, we identified 16 compounds showing greater than 50% inhibition against RSK1 for both FP and TR-FRET; 6 compounds with greater than 50% inhibition only for FP; and 4 compounds with greater than 50% inhibition only for TR-FRET. In a cell-based functional assay to validate the hit compounds, 10 compounds identified only in a single assay had little effect on the RSK-mediated phosphorylation of liver kinase B1, whereas 5 compounds showing greater than 80% inhibition for both FP and TR-FRET reduced the phosphorylation of liver kinase B1. These results demonstrate that the dual readout assay can be used to identify hit compounds by subsequently monitoring both FP and TR-FRET signals from one RSK1 reaction. PMID:27040627

  12. Development and implementation of a miniaturized high-throughput time-resolved fluorescence energy transfer assay to identify small molecule inhibitors of polo-like kinase 1.

    PubMed

    Sharlow, Elizabeth R; Leimgruber, Stephanie; Shun, Tong Ying; Lazo, John S

    2007-12-01

    Polo-like kinase (Plk) 1 is a key enzyme involved in regulating the mammalian cell cycle that is also a validated anticancer drug target. Nonetheless, there are relatively few readily available potent and selective small molecule inhibitors of Plk1. To increase the availability of pharmacologically valuable Plk1 inhibitors, we describe herein the development, variability assessment, validation, and implementation of a 384-well automated, miniaturized high-throughput time-resolved fluorescence energy transfer screening assay designed to identify Plk1 kinase inhibitors. Using a small molecule library of pharmaceutically active compounds to gauge high-throughput assay robustness and reproducibility, we found nine general kinase inhibitors, including H-89, which was selected as the minimum control. We then interrogated a 97,101 compound library from the National Institutes of Health repository for small molecule inhibitors of Plk1 kinase activity. The initial primary hit rate in a single 10 microM concentration format was 0.21%. Hit compounds were subjected to concentration-response confirmation and interference assays. Identified in the screen were seven compounds with 50% inhibitory concentration (IC50) values below 1 microM, 20 compounds with IC50 values between 1 microM and 5 microM, and eight compounds with IC50 values between 5 and 10 microM, which could be assigned to seven distinct chemotype classes. Hit compounds were also examined for their ability to inhibit other kinases such as protein kinase D, focal adhesion kinase, rho-associated coiled coil protein kinase 2, c-jun NH2-terminal kinase 3, and protein kinase A via experimentation or data-mining. These compounds should be useful as probes for the biological activity of Plk1 and as leads for the development of new selective inhibitors of Plk1. PMID:18181689

  13. A correlative approach to segmenting phases and ferrite morphologies in transformation-induced plasticity steel using electron back-scattering diffraction and energy dispersive X-ray spectroscopy.

    PubMed

    Gazder, Azdiar A; Al-Harbi, Fayez; Spanke, Hendrik Th; Mitchell, David R G; Pereloma, Elena V

    2014-12-01

    Using a combination of electron back-scattering diffraction and energy dispersive X-ray spectroscopy data, a segmentation procedure was developed to comprehensively distinguish austenite, martensite, polygonal ferrite, ferrite in granular bainite and bainitic ferrite laths in a thermo-mechanically processed low-Si, high-Al transformation-induced plasticity steel. The efficacy of the ferrite morphologies segmentation procedure was verified by transmission electron microscopy. The variation in carbon content between the ferrite in granular bainite and bainitic ferrite laths was explained on the basis of carbon partitioning during their growth.

  14. Energy dispersion of the electrosubbands in parabolic confining quantum wires: interplay of Rashba, Dresselhaus, lateral spin-orbit interaction and the Zeeman effect.

    PubMed

    Zhang, Tong-Yi; Zhao, Wei; Liu, Xue-Ming

    2009-08-19

    We have made a thorough theoretical investigation of the interplay of spin-orbit interactions (SOIs) resulting from Rashba, Dresselhaus and the lateral parabolic confining potential on the energy dispersion relation of the spin subbands in a parabolic quantum wire. The influence of an applied external magnetic field is also discussed. We show the interplay of different types of SOI, as well as the Zeeman effect, leads to rather complex and intriguing electrosubbands for different spin branches. The effect of different coupling strengths and different magnetic field strengths is also investigated.

  15. Air parcel trajectory dispersion near the tropical tropopause

    NASA Astrophysics Data System (ADS)

    Bergman, John W.; Jensen, Eric J.; Pfister, Leonhard; Bui, Thaopaul V.

    2016-04-01

    Dispersion of backward air parcel trajectories that are initially tightly grouped near the tropical tropopause is examined using three ensemble approaches: "RANWIND," in which different ensemble members use identical resolved wind fluctuations but different realizations of stochastic, multifractal simulations of unresolved winds; "PERTLOC," in which members use identical resolved wind fields but initial locations are perturbed 2° in latitude and longitude; and a multimodel ensemble ("MULTIMODEL") that uses identical initial conditions but different resolved wind fields and/or trajectory formulations. Comparisons among the approaches distinguish, to some degree, physical dispersion from that due to data uncertainty and the impacts of unresolved wind fluctuations from those of resolved variability. Dispersion rates are robust properties of trajectories near the tropical tropopause. Horizontal dispersion rates are typically ~3°/d, which is large enough to spread parcels throughout the tropics within typical tropical tropopause layer transport times (30-60 days) and underscores the importance of averaging large collections of trajectories to obtain reliable parcel source and pathway distributions. Vertical dispersion rates away from convection are ~2-3 hPa/d. Dispersion is primarily carried out by the resolved flow, and the RANWIND approach provides a plausible representation of actual trajectory dispersion rates, while PERTLOC provides a reasonable and inexpensive alternative to RANWIND. In contrast, dispersion from the MULTIMODEL calculations is important because it reflects systematic differences in resolved wind fields from different reanalysis data sets.

  16. Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10–130 Å on the large helical device

    SciTech Connect

    Huang, Xianli; Morita, Shigeru; Oishi, Tetsutarou; Goto, Motoshi; Dong, Chunfeng

    2014-04-15

    A flat-field space-resolved extreme ultraviolet (EUV) spectrometer system working in wavelength range of 10–130 Å has been constructed in the Large Helical Device (LHD) for profile measurements of bremsstrahlung continuum and line emissions of heavy impurities in the central column of plasmas, which are aimed at studies on Z{sub eff} and impurity transport, respectively. Until now, a large amount of spike noise caused by neutral particles with high energies (≤180 keV) originating in neutral beam injection has been observed in EUV spectroscopy on LHD. The new system has been developed with an aim to delete such a spike noise from the signal by installing a thin filter which can block the high-energy neutral particles entering the EUV spectrometer. Three filters of 11 μm thick beryllium (Be), 3.3 μm thick polypropylene (PP), and 0.5 μm thick polyethylene terephthalate (PET: polyester) have been examined to eliminate the spike noise. Although the 11 μm Be and 3.3 μm PP filters can fully delete the spike noise in wavelength range of λ ≤ 20 Å, the signal intensity is also reduced. The 0.5 μm PET filter, on the other hand, can maintain sufficient signal intensity for the measurement and the spike noise remained in the signal is acceptable. As a result, the bremsstrahlung profile is successfully measured without noise at 20 Å even in low-density discharges, e.g., 2.9 × 10{sup 13} cm{sup −3}, when the 0.5 μm PET filter is used. The iron n = 3–2 Lα transition array consisting of FeXVII to FeXXIV is also excellently observed with their radial profiles in wavelength range of 10–18 Å. Each transition in the Lα array can be accurately identified with its radial profile. As a typical example of the method a spectral line at 17.62 Å is identified as FeXVIII transition. Results on absolute intensity calibration of the spectrometer system, pulse height and noise count analyses of the spike noise between holographic and ruled gratings and wavelength

  17. Space-resolved extreme ultraviolet spectroscopy free of high-energy neutral particle noise in wavelength range of 10-130 Å on the large helical device.

    PubMed

    Huang, Xianli; Morita, Shigeru; Oishi, Tetsutarou; Goto, Motoshi; Dong, Chunfeng

    2014-04-01

    A flat-field space-resolved extreme ultraviolet (EUV) spectrometer system working in wavelength range of 10-130 Å has been constructed in the Large Helical Device (LHD) for profile measurements of bremsstrahlung continuum and line emissions of heavy impurities in the central column of plasmas, which are aimed at studies on Zeff and impurity transport, respectively. Until now, a large amount of spike noise caused by neutral particles with high energies (≤180 keV) originating in neutral beam injection has been observed in EUV spectroscopy on LHD. The new system has been developed with an aim to delete such a spike noise from the signal by installing a thin filter which can block the high-energy neutral particles entering the EUV spectrometer. Three filters of 11 μm thick beryllium (Be), 3.3 μm thick polypropylene (PP), and 0.5 μm thick polyethylene terephthalate (PET: polyester) have been examined to eliminate the spike noise. Although the 11 μm Be and 3.3 μm PP filters can fully delete the spike noise in wavelength range of λ ≤ 20 Å, the signal intensity is also reduced. The 0.5 μm PET filter, on the other hand, can maintain sufficient signal intensity for the measurement and the spike noise remained in the signal is acceptable. As a result, the bremsstrahlung profile is successfully measured without noise at 20 Å even in low-density discharges, e.g., 2.9 × 10(13) cm(-3), when the 0.5 μm PET filter is used. The iron n = 3-2 Lα transition array consisting of FeXVII to FeXXIV is also excellently observed with their radial profiles in wavelength range of 10-18 Å. Each transition in the Lα array can be accurately identified with its radial profile. As a typical example of the method a spectral line at 17.62 Å is identified as FeXVIII transition. Results on absolute intensity calibration of the spectrometer system, pulse height and noise count analyses of the spike noise between holographic and ruled gratings and wavelength response of the used

  18. Plasma Waves Dispersion Relation at Near of the Cosmological Black Holes in an Expanding Universe Dominated by Dark Energy

    NASA Astrophysics Data System (ADS)

    Ramezani-Arani, R.; Mirzaee, A. R.; Abdoli-Arani, A.

    2015-09-01

    Propagation of waves in the relativistic plasma at near of the horizon of black holes embedded in Friedman-Robertson-Walker cosmologies is investigated. The metric of the class of black holes, cosmological black holes, is obtained by performing conformal transformation on isotropic black hole space-time. Here we use the Maxwell's equations and relativistic two-fluid plasma in 3 + 1 formulation in Rindler coordinates system. By calculation of the time evolution of scale factor, the dispersion relation of electromagnetic waves near of the cosmological black holes horizon is obtained.

  19. High-resolving mass spectrographs and spectrometers

    NASA Astrophysics Data System (ADS)

    Wollnik, Hermann

    2015-11-01

    Discussed are different types of high resolving mass spectrographs and spectrometers. In detail outlined are (1) magnetic and electric sector field mass spectrographs, which are the oldest systems, (2) Penning Trap mass spectrographs and spectrometers, which have achieved very high mass-resolving powers, but are technically demanding (3) time-of-flight mass spectrographs using high energy ions passing through accelerator rings, which have also achieved very high mass-resolving powers and are equally technically demanding, (4) linear time-of-flight mass spectrographs, which have become the most versatile mass analyzers for low energy ions, while the even higher performing multi-pass systems have only started to be used, (5) orbitraps, which also have achieved remarkably high mass-resolving powers for low energy ions.

  20. Effect of bleaching agents having a neutral pH on the surface of mineral trioxide aggregate using electron microscopy and energy dispersive X-ray microanalysis

    PubMed Central

    Kazia, Nooh; Suvarna, Nithin; Shetty, Harish Kumar; Kumar, Pradeep

    2016-01-01

    Aim: To investigate the effect of bleaching agents having a neutral pH on the surface of mineral trioxide aggregate (MTA) used as a coronal seal material for nonvital bleaching, beneath the bleaching agent, with the help of energy dispersive X-ray microanalysis and scanning electron microscopy (SEM). Materials and Methods: Six samples of plastic tubes filled with white MTA (Angelus white) were kept in 100% humidity for 21 days. Each sample was divided into 2 and made into 12 samples. These were then divided into three groups. Group A was exposed to Opalescence Boost 40% hydrogen peroxide (HP) (Ultradent). Group B to Opalescence 10% carbamide peroxide (Ultradent) and Group C (control group) not exposed to any bleaching agent. After recommended period of exposure to bleaching agents according to manufacturers’ instructions, the samples were observed under SEM with an energy dispersive X-ray microanalysis system (JSM-6380 LA). Results: There were no relevant changes in color and no statistically significant surface structure changes of the MTA in both the experimental groups. Conclusion: The present findings suggest that even high concentration HP containing bleaching agents with neutral pH can be used on the surface of MTA without causing structural changes. The superior sealing ability of MTA and the high alkalinity would prevent cervical resorption postbleaching.

  1. Energy dispersive X-ray diffraction potentiality in the field of cultural heritage: simultaneous structural and elemental analysis of various artefacts.

    PubMed

    Caponetti, Eugenio; Caminiti, Ruggero; Chillura Martino, Delia; Saladino, Maria Luisa

    2007-07-01

    The applicability of an Energy Dispersive X-ray Diffractometer to some technical questions in the field of Cultural Heritage is presented. This diffractometer, equipped with a white source, has been utilized for the structural and elemental analysis of some items having different nature. Given its design, the instrument allows to collect data from samples as big as a book or a little more. Samples, without collection of any portion and without any preliminary preparation, have been placed in the instrument and spectra have been collected in a wide energy range that contains X-ray fluorescence and diffraction features. In all cases, data acquired in air and in a non destructive way were reliable and their collection was fast. Fluorescence and X-ray diffraction information, when possible, have been compared with those obtained by XRF micro-analysis and by an Angle Dispersive X-ray Diffractometer equipped with a Cu X-ray source. By using the last two techniques, data have been collected from small areas of the samples.

  2. Effect of bleaching agents having a neutral pH on the surface of mineral trioxide aggregate using electron microscopy and energy dispersive X-ray microanalysis

    PubMed Central

    Kazia, Nooh; Suvarna, Nithin; Shetty, Harish Kumar; Kumar, Pradeep

    2016-01-01

    Aim: To investigate the effect of bleaching agents having a neutral pH on the surface of mineral trioxide aggregate (MTA) used as a coronal seal material for nonvital bleaching, beneath the bleaching agent, with the help of energy dispersive X-ray microanalysis and scanning electron microscopy (SEM). Materials and Methods: Six samples of plastic tubes filled with white MTA (Angelus white) were kept in 100% humidity for 21 days. Each sample was divided into 2 and made into 12 samples. These were then divided into three groups. Group A was exposed to Opalescence Boost 40% hydrogen peroxide (HP) (Ultradent). Group B to Opalescence 10% carbamide peroxide (Ultradent) and Group C (control group) not exposed to any bleaching agent. After recommended period of exposure to bleaching agents according to manufacturers’ instructions, the samples were observed under SEM with an energy dispersive X-ray microanalysis system (JSM-6380 LA). Results: There were no relevant changes in color and no statistically significant surface structure changes of the MTA in both the experimental groups. Conclusion: The present findings suggest that even high concentration HP containing bleaching agents with neutral pH can be used on the surface of MTA without causing structural changes. The superior sealing ability of MTA and the high alkalinity would prevent cervical resorption postbleaching. PMID:27656061

  3. Elucidating redox-level dispersion and local dielectric effects within electroactive molecular films.

    PubMed

    Bueno, Paulo R; Davis, Jason J

    2014-02-18

    The electron exchange between a redox-active molecular film and its underlying electrode can be cleanly tracked, in a frequency-resolved manner, through associated capacitive charging. If acquired data is treated with a classical (non quantum) model, mathematically equivalent to a Nernst distribution for one redox energy level, redox site coverage is both underestimated and environmentally variable. This physically unrealistic model fails to account for the energetic dispersion intrinsically related to the quantized characteristics of coupled redox and electrode states. If one maps this redox capacitive charging as a function of electrode potential one not only reproduces observations made by standard electroanalytical methods but additionally and directly resolves the spread of redox state energies the electrode is communicating with. In treating a population of surface-confined redox states as constituting a density of states, these analyses further resolve the effects of electrolyte dielectric on energetic spread in accordance with the electron-transfer models proposed by Marcus and others. These observations additionally underpin a directly (spectrally) resolved dispersion in electron-transfer kinetics. PMID:24392706

  4. Band Structure of Helimagnons in MnSi Resolved by Inelastic Neutron Scattering.

    PubMed

    Kugler, M; Brandl, G; Waizner, J; Janoschek, M; Georgii, R; Bauer, A; Seemann, K; Rosch, A; Pfleiderer, C; Böni, P; Garst, M

    2015-08-28

    A magnetic helix realizes a one-dimensional magnetic crystal with a period given by the pitch length λh. Its spin-wave excitations-the helimagnons-experience Bragg scattering off this periodicity, leading to gaps in the spectrum that inhibit their propagation along the pitch direction. Using high-resolution inelastic neutron scattering, the resulting band structure of helimagnons was resolved by preparing a single crystal of MnSi in a single magnetic-helix domain. At least five helimagnon bands could be identified that cover the crossover from flat bands at low energies with helimagnons basically localized along the pitch direction to dispersing bands at higher energies. In the low-energy limit, we find the helimagnon spectrum to be determined by a universal, parameter-free theory. Taking into account corrections to this low-energy theory, quantitative agreement is obtained in the entire energy range studied with the help of a single fitting parameter.

  5. Energetics and dynamics of the fragmentation reactions of protonated peptides containing methionine sulfoxide or aspartic acid via energy- and time-resolved surface induced dissociation.

    PubMed

    Lioe, Hadi; Laskin, Julia; Reid, Gavin E; O'Hair, Richard A J

    2007-10-25

    The surface-induced dissociation (SID) of six model peptides containing either methionine sulfoxide or aspartic acid (GAILM(O)GAILR, GAILM(O)GAILK, GAILM(O)GAILA, GAILDGAILR, GAILDGAILK, and GAILDGAILA) have been studied using a specially configured Fourier transform ion-cyclotron resonance mass spectrometer (FT-ICR MS). In particular, we have investigated the energetics and dynamics associated with (i) preferential cleavage of the methionine sulfoxide side chain via the loss of CH3SOH (64 Da), and (ii) preferential cleavage of the amide bond C-terminal to aspartic acid. The role of proton mobility in these selective bond cleavage reactions was examined by changing the C-terminal residue of the peptide from arginine (nonmobile proton conditions) to lysine (partially mobile proton conditions) to alanine (mobile proton conditions). Time- and energy-resolved fragmentation efficiency curves (TFECs) reveal that selective cleavages due to the methionine sulfoxide and aspartic acid residues are characterized by slow fragmentation kinetics. RRKM modeling of the experimental data suggests that the slow kinetics is associated with large negative entropy effects and these may be due to the presence of rearrangements prior to fragmentation. It was found that the Arrhenius pre-exponential factor (A) for peptide fragmentations occurring via selective bond cleavages are 1-2 orders of magnitude lower than nonselective peptide fragmentation reactions, while the dissociation threshold (E0) is relatively invariant. This means that selective bond cleavage is kinetically disfavored compared to nonselective amide bond cleavage. It was also found that the energetics and dynamics for the preferential loss of CH3SOH from peptide ions containing methionine sulfoxide are very similar to selective C-terminal amide bond cleavage at the aspartic acid residue. These results suggest that while preferential cleavage can compete with amide bond cleavage energetically, dynamically, these processes

  6. Energetics and Dynamics of the Fragmentation Reactions of Protonated Peptides Containing Methionine Sulfoxide or Aspartic Acid via Energy- and Time-Resolved Surface Induced Dissociation

    SciTech Connect

    Lioe, Hadi; Laskin, Julia; Reid, Gavin E.; O'Hair, Richard Aj

    2007-10-25

    The surface-induced dissociation (SID) of six model peptides containing either methionine sulfoxide or aspartic acid (GAILM(O)GAILR, GAILM(O)GAILK, GAILM(O)GAILA, GAILDGAILR, GAILDGAILK, and GAILDGAILA) have been studied using a specially configured Fourier transform ion-cyclotron resonance mass spectrometer (FT-ICR MS). In particular, we have investigated the energetics and dynamics associated with (i) preferential cleavage of the methionine sulfoxide side chain via the loss of CH3SOH (64Da), and (ii) preferential cleavage of the amide bond C-terminal to aspartic acid. The role of proton mobility on these selective bond cleavage reactions was examined by changing the C-terminal residue of the peptide from arginine (non-mobile proton conditions) to lysine (partially-mobile proton conditions) to alanine (mobile proton conditions). Time- and energy-resolved fragmentation efficiency curves (TFEC) reveals that selective cleavages due to the methionine sulfoxide and aspartic acid residues are characterized by slow fragmentation kinetics. RRKM modeling of the experimental data suggests that the slow kinetics is associated with large negative entropy effects and these may be due to the presence of rearrangements prior to fragmentation. It was found that the Arrhenius pre-exponential factor (A) for peptide fragmentations occurring via selective bond cleavages are 1–2 orders of magnitude lower than non-selective peptide fragmentation reactions, while the dissociation threshold (E0) is relatively invariant. This means that selective bond cleavage is kinetically disfavored compared to non-selective amide bond cleavage. It was also found that the energetics and dynamics for the preferential loss of CH3SOH from peptide ions containing methionine sulfoxide are very similar to selective C-terminal amide bond cleavage at the aspartic acid residue. These results suggest that while preferential cleavage can compete with amide bond cleavage energetically, dynamically, these

  7. A new method for polychromatic X-ray μLaue diffraction on a Cu pillar using an energy-dispersive pn-junction charge-coupled device.

    PubMed

    Abboud, A; Kirchlechner, C; Send, S; Micha, J S; Ulrich, O; Pashniak, N; Strüder, L; Keckes, J; Pietsch, U

    2014-11-01

    μLaue diffraction with a polychromatic X-ray beam can be used to measure strain fields and crystal orientations of micro crystals. The hydrostatic strain tensor can be obtained once the energy profile of the reflections is measured. However, this remains a challenge both on the time scale and reproducibility of the beam position on the sample. In this review, we present a new approach to obtain the spatial and energy profiles of Laue spots by using a pn-junction charge-coupled device, an energy-dispersive area detector providing 3D resolution of incident X-rays. The morphology and energetic structure of various Bragg peaks from a single crystalline Cu micro-cantilever used as a test system were simultaneously acquired. The method facilitates the determination of the Laue spots' energy spectra without filtering the white X-ray beam. The synchrotron experiment was performed at the BM32 beamline of ESRF using polychromatic X-rays in the energy range between 5 and 25 keV and a beam size of 0.5 μm × 0.5 μm. The feasibility test on the well known system demonstrates the capabilities of the approach and introduces the "3D detector method" as a promising tool for material investigations to separate bending and strain for technical materials.

  8. A new method for polychromatic X-ray μLaue diffraction on a Cu pillar using an energy-dispersive pn-junction charge-coupled device

    SciTech Connect

    Abboud, A.; Send, S.; Pashniak, N.; Pietsch, U.; Kirchlechner, C.; Micha, J. S.; Ulrich, O.; Keckes, J.

    2014-11-15

    μLaue diffraction with a polychromatic X-ray beam can be used to measure strain fields and crystal orientations of micro crystals. The hydrostatic strain tensor can be obtained once the energy profile of the reflections is measured. However, this remains a challenge both on the time scale and reproducibility of the beam position on the sample. In this review, we present a new approach to obtain the spatial and energy profiles of Laue spots by using a pn-junction charge-coupled device, an energy-dispersive area detector providing 3D resolution of incident X-rays. The morphology and energetic structure of various Bragg peaks from a single crystalline Cu micro-cantilever used as a test system were simultaneously acquired. The method facilitates the determination of the Laue spots’ energy spectra without filtering the white X-ray beam. The synchrotron experiment was performed at the BM32 beamline of ESRF using polychromatic X-rays in the energy range between 5 and 25 keV and a beam size of 0.5 μm × 0.5 μm. The feasibility test on the well known system demonstrates the capabilities of the approach and introduces the “3D detector method” as a promising tool for material investigations to separate bending and strain for technical materials.

  9. Spatially resolved spectral-imaging device

    DOEpatents

    Bloom, Joshua Simon; Tyson, John Anthony

    2016-02-09

    A spatially resolved spectral device comprising a dispersive array to receive an incident light comprising a principal ray. The dispersive array comprising a plurality of dichroic layers, each of the plurality of dichroic layers disposed in a path of a direction of the principal ray. Each of the plurality of dichroic layers configured to at least one of reflect or transmit a different wavelength range of the incident light. The device further comprising a detection array operatively coupled with the dispersive array. The detection array comprising a photosensitive component including a plurality of detection pixels, each of the plurality of detection pixels having a light-receiving surface disposed parallel to the direction of the principal ray to detect a respective one of the different wavelength ranges of incident light reflected from a corresponding one of the plurality of dichroic layers.

  10. Effects of density functionals and dispersion interactions on geometries, bond energies and harmonic frequencies of EUX3 (E=N, P, CH; X=H, F, Cl).

    PubMed

    Pandey, Krishna Kumar; Patidar, Pankaj; Patidar, Sunil Kumar; Vishwakarma, Ravi

    2014-12-10

    Quantum-chemical calculations have been performed to evaluate the geometries, bonding nature and harmonic frequencies of the compounds [EUX3] at DFT, DFT-D3, DFT-D3(BJ) and DFT-dDSc levels using different density functionals BP86, BLYP, PBE, revPBE, PW91, TPSS and M06-L. The stretching frequency of UN bond in [NUF3] calculated with DFT/BLYP closely resembles with the experimental value. The performance of different density functionals for accurate UN vibrational frequencies follows the order BLYP>revPBE>BP86>PW91>TPSS>PBE>M06-L. The BLYP functional gives accurate value of the UE bond distances. The uranium atom in the studied compounds [EUX3] is positively charged. Upon going from [EUF3] to [EUCl3], the partial Hirshfeld charge on uranium atom decreases because of the lower electronegativity of chlorine compared to flourine. The Gopinathan-Jug bond order for UE bonds ranges from 2.90 to 3.29. The UE bond dissociation energies vary with different density functionals as M06-Ldispersion energy contributions to the total bond dissociation energies are rather small. Compared to the Grimme's D3(BJ) corrections, the Corminboeuf's dispersion corrections are larger with metaGGA functionals (TPSS, M06-L) while smaller with GGA functionals. PMID:25014545

  11. Pulsing frequency induced change in optical constants and dispersion energy parameters of WO3 films grown by pulsed direct current magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Punitha, K.; Sivakumar, R.; Sanjeeviraja, C.

    2014-03-01

    In this work, we present the pulsing frequency induced change in the structural, optical, vibrational, and luminescence properties of tungsten oxide (WO3) thin films deposited on microscopic glass and fluorine doped tin oxide (SnO2:F) coated glass substrates by pulsed dc magnetron sputtering technique. The WO3 films deposited on SnO2:F substrate belongs to monoclinic phase. The pulsing frequency has a significant influence on the preferred orientation and crystallinity of WO3 film. The maximum optical transmittance of 85% was observed for the film and the slight shift in transmission threshold towards higher wavelength region with increasing pulsing frequency revealed the systematic reduction in optical energy band gap (3.78 to 3.13 eV) of the films. The refractive index (n) of films are found to decrease (1.832 to 1.333 at 550 nm) with increasing pulsing frequency and the average value of extinction coefficient (k) is in the order of 10-3. It was observed that the dispersion data obeyed the single oscillator of the Wemple-Didomenico model, from which the dispersion energy (Ed) parameters, dielectric constants, plasma frequency, oscillator strength, and oscillator energy (Eo) of WO3 films were calculated and reported for the first time due to variation in pulsing frequency during deposition by pulsed dc magnetron sputtering. The Eo is change between 6.30 and 3.88 eV, while the Ed varies from 25.81 to 7.88 eV, with pulsing frequency. The Raman peak observed at 1095 cm-1 attributes the presence of W-O symmetric stretching vibration. The slight shift in photoluminescence band is attributed to the difference in excitons transition. We have made an attempt to discuss and correlate these results with the light of possible mechanisms underlying the phenomena.

  12. Effects of density functionals and dispersion interactions on geometries, bond energies and harmonic frequencies of Etbnd UX3 (E = N, P, CH; X = H, F, Cl)

    NASA Astrophysics Data System (ADS)

    Pandey, Krishna Kumar; Patidar, Pankaj; Patidar, Sunil Kumar; Vishwakarma, Ravi

    2014-12-01

    Quantum-chemical calculations have been performed to evaluate the geometries, bonding nature and harmonic frequencies of the compounds [Etbnd UX3] at DFT, DFT-D3, DFT-D3(BJ) and DFT-dDSc levels using different density functionals BP86, BLYP, PBE, revPBE, PW91, TPSS and M06-L. The stretching frequency of Utbnd N bond in [Ntbnd UF3] calculated with DFT/BLYP closely resembles with the experimental value. The performance of different density functionals for accurate Utbnd N vibrational frequencies follows the order BLYP > revPBE > BP86 > PW91 > TPSS > PBE > M06-L. The BLYP functional gives accurate value of the Utbnd E bond distances. The uranium atom in the studied compounds [Etbnd UX3] is positively charged. Upon going from [Etbnd UF3] to [Etbnd UCl3], the partial Hirshfeld charge on uranium atom decreases because of the lower electronegativity of chlorine compared to flourine. The Gopinathan-Jug bond order for Utbnd E bonds ranges from 2.90 to 3.29. The Utbnd E bond dissociation energies vary with different density functionals as M06-L < TPSS < BLYP < revPBE < BP86 < PBE ≈ PW91. The orbital interactions ΔEorb, in all studied compounds [Etbnd UX3] are larger than the electrostatic interaction ΔEelstat, which means the Utbnd N bonds in these compound have greater degree of covalent character (in the range 63.8-77.2%). The Usbnd E σ-bonding interaction is the dominant bonding interaction in the nitride and methylidyne complexes while it is weaker in [Ptbnd UX3]. The dispersion energy contributions to the total bond dissociation energies are rather small. Compared to the Grimme's D3(BJ) corrections, the Corminboeuf's dispersion corrections are larger with metaGGA functionals (TPSS, M06-L) while smaller with GGA functionals.

  13. Spin-wave energy dispersion of a frustrated spin-½ Heisenberg antiferromagnet on a stacked square lattice.

    PubMed

    Majumdar, Kingshuk

    2011-03-23

    The effects of interlayer coupling and spatial anisotropy on the spin-wave excitation spectra of a three-dimensional spatially anisotropic, frustrated spin-½ Heisenberg antiferromagnet (HAFM) are investigated for the two ordered phases using second-order spin-wave expansion. We show that the second-order corrections to the spin-wave energies are significant and find that the energy spectra of the three-dimensional HAFM have similar qualitative features to the energy spectra of the two-dimensional HAFM on a square lattice. We also discuss the features that can provide experimental measures for the strength of the interlayer coupling, spatial anisotropy parameter, and magnetic frustration.

  14. Fabrication of electric papers of graphene nanosheet shelled cellulose fibres by dispersion and infiltration as flexible electrodes for energy storage

    NASA Astrophysics Data System (ADS)

    Kang, Yan-Ru; Li, Ya-Li; Hou, Feng; Wen, Yang-Yang; Su, Dong

    2012-05-01

    An electrically conductive and electrochemically active composite paper of graphene nanosheet (GNS) coated cellulose fibres was fabricated via a simple paper-making process of dispersing chemically synthesized GNS into a cellulose pulp, followed by infiltration. The GNS nanosheet was deposited onto the cellulose fibers, forming a coating, during infiltration. It forms a continuous network through a bridge of interconnected cellulose fibres at small GNS loadings (3.2 wt%). The GNS/cellulose paper is as flexible and mechanically tough as the pure cellulose paper. The electrical measurements show the composite paper has a sheet resistance of 1063 Ω □-1 and a conductivity of 11.6 S m-1. The application of the composite paper as a flexible double layer supercapacitor in an organic electrolyte (LiPF6) displays a high capacity of 252 F g-1 at a current density of 1 A g-1 with respect to GNS. Moreover, the paper can be used as the anode in a lithium battery, showing distinct charge and discharge performances. The simple process for synthesising the GNS functionalized cellulose papers is attractive for the development of high performance papers for electrical, electrochemical and multifunctional applications.An electrically conductive and electrochemically active composite paper of graphene nanosheet (GNS) coated cellulose fibres was fabricated via a simple paper-making process of dispersing chemically synthesized GNS into a cellulose pulp, followed by infiltration. The GNS nanosheet was deposited onto the cellulose fibers, forming a coating, during infiltration. It forms a continuous network through a bridge of interconnected cellulose fibres at small GNS loadings (3.2 wt%). The GNS/cellulose paper is as flexible and mechanically tough as the pure cellulose paper. The electrical measurements show the composite paper has a sheet resistance of 1063 Ω □-1 and a conductivity of 11.6 S m-1. The application of the composite paper as a flexible double layer supercapacitor

  15. Development of high-energy amorphous solid dispersion of nanosized nobiletin, a citrus polymethoxylated flavone, with improved oral bioavailability.

    PubMed

    Onoue, Satomi; Uchida, Atsushi; Takahashi, Haruki; Seto, Yoshiki; Kawabata, Yohei; Ogawa, Kazunori; Yuminoki, Kayo; Hashimoto, Naofumi; Yamada, Shizuo

    2011-09-01

    Nobiletin (NOB), a citrus polymethoxylated flavone, attracts attention because of a wide range of pharmacological activities such as anti-inflammation, anticancer, and most notably ameliorative actions on memory impairment and β-amyloid pathology. However, clinical use of NOB could be partly limited due to its poor solubility and bioavailability, which might necessitate high doses in order to reach therapeutic plasma concentrations in the central nervous system (CNS) after oral administration. In the present study, amorphous solid dispersion (SD) of nanosized NOB (NOB/SD) was prepared by wet-milling technique with the aim of improving dissolution behavior and pharmacokinetic properties of NOB. Physicochemical properties of the NOB/SD were characterized with focus on surface morphology, particle size distribution, dissolution, and crystallinity assessment. Wet-milled NOB particles in NOB/SD appeared to be amorphous with a diameter of approximately 270 nm, and there was marked improvement in the dissolution behavior compared with that of crystalline NOB. After oral administration of NOB/SD, higher exposure of NOB was observed with increases of bioavailability and CNS distribution by 13- and sevenfold, respectively, compared with those of crystalline NOB. These findings suggest that an amorphous, nanosized SD could be a viable option for enhancing the bioavailability and CNS delivery of NOB.

  16. Fabrication of electric papers of graphene nanosheet shelled cellulose fibres by dispersion and infiltration as flexible electrodes for energy storage.

    PubMed

    Kang, Yan-Ru; Li, Ya-Li; Hou, Feng; Wen, Yang-Yang; Su, Dong

    2012-05-21

    An electrically conductive and electrochemically active composite paper of graphene nanosheet (GNS) coated cellulose fibres was fabricated via a simple paper-making process of dispersing chemically synthesized GNS into a cellulose pulp, followed by infiltration. The GNS nanosheet was deposited onto the cellulose fibers, forming a coating, during infiltration. It forms a continuous network through a bridge of interconnected cellulose fibres at small GNS loadings (3.2 wt%). The GNS/cellulose paper is as flexible and mechanically tough as the pure cellulose paper. The electrical measurements show the composite paper has a sheet resistance of 1063 Ω□(-1) and a conductivity of 11.6 S m(-1). The application of the composite paper as a flexible double layer supercapacitor in an organic electrolyte (LiPF(6)) displays a high capacity of 252 F g(-1) at a current density of 1 A g(-1) with respect to GNS. Moreover, the paper can be used as the anode in a lithium battery, showing distinct charge and discharge performances. The simple process for synthesising the GNS functionalized cellulose papers is attractive for the development of high performance papers for electrical, electrochemical and multifunctional applications.

  17. Fabrication of electric papers of graphene nanosheet shelled cellulose fibres by dispersion and infiltration as flexible electrodes for energy storage.

    PubMed

    Kang, Yan-Ru; Li, Ya-Li; Hou, Feng; Wen, Yang-Yang; Su, Dong

    2012-05-21

    An electrically conductive and electrochemically active composite paper of graphene nanosheet (GNS) coated cellulose fibres was fabricated via a simple paper-making process of dispersing chemically synthesized GNS into a cellulose pulp, followed by infiltration. The GNS nanosheet was deposited onto the cellulose fibers, forming a coating, during infiltration. It forms a continuous network through a bridge of interconnected cellulose fibres at small GNS loadings (3.2 wt%). The GNS/cellulose paper is as flexible and mechanically tough as the pure cellulose paper. The electrical measurements show the composite paper has a sheet resistance of 1063 Ω□(-1) and a conductivity of 11.6 S m(-1). The application of the composite paper as a flexible double layer supercapacitor in an organic electrolyte (LiPF(6)) displays a high capacity of 252 F g(-1) at a current density of 1 A g(-1) with respect to GNS. Moreover, the paper can be used as the anode in a lithium battery, showing distinct charge and discharge performances. The simple process for synthesising the GNS functionalized cellulose papers is attractive for the development of high performance papers for electrical, electrochemical and multifunctional applications. PMID:22535335

  18. Colloidal Dispersions

    NASA Astrophysics Data System (ADS)

    Russel, W. B.; Saville, D. A.; Schowalter, W. R.

    1992-03-01

    The book covers the physical side of colloid science from the individual forces acting between submicron particles suspended in a liquid through the resulting equilibrium and dynamic properties. The relevant forces include Brownian motion, electrostatic repulsion, dispersion attraction, both attraction and repulsion due to soluble polymer, and viscous forces due to relative motion between the particles and the liquid. The balance among Brownian motion and the interparticle forces decides the questions of stability and phase behavior. Imposition of external fields produces complex effects, i.e. electrokinetic phenomena (electric field), sedimentation (gravitational field), diffusion (concentration/chemical potential gradient), and non-Newtonian rheology (shear field). The treatment aims to impart a sound, quantitative understanding based on fundamental theory and experiments with well-characterized model systems. This broad grasp of the fundamentals lends insight and helps to develop the intuitive sense needed to isolate essential features of technological problems and design critical experiments. Some exposure to fluid mechanics, statistical mechanics, and electricity and magnetism is assumed, but each subject is reintroduced in a self-contained manner.

  19. Ionic Liquids as a Reference Material Candidate for the Quick Performance Check of Energy Dispersive X-ray Spectrometers for the Low Energy Range below 1 keV

    PubMed Central

    2016-01-01

    Ionic liquids (ILs) are proposed as simple and efficient test materials to evaluate the performance of energy dispersive X-ray spectrometers (EDS) in the low energy range below 1 keV. By only one measurement, C Kα, N Kα, O Kα, and F Kα X-ray lines can be excited. Additionally, the S Kα line at 2.3 keV and, particularly, the S L series at 149 eV complete the picture with X-ray lines offered by the selected ILs. The well-known (certifiable) elemental composition of the ILs selected in the present study can be used to check the accuracy of results produced with the available EDS quantification routines in the low energy range, simultaneously, for several low atomic number elements. A comparison with other reference materials in use for testing the performance of EDS in the low energy range is included. PMID:27336962

  20. Use of scanning electron microscopy and energy dispersive X-ray analysis (SEM-EDXA) in identification of foreign material on bullets.

    PubMed

    DiMaio, V J; Dana, S E; Taylor, W E; Ondrusek, J

    1987-01-01

    The authors report two cases in which examination of foreign material embedded in or adherent to bullets provided critical information in the reconstruction of a crime scene. Analysis of small particles by scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDXA) can be accomplished without destruction or injury of the particles. In one case, the detection and identification of mineral fragments embedded near the nose of a bullet provided conclusive evidence that the bullet had ricocheted from a fireplace before striking the victim. In the second case, analysis of particles from two bullets identified them as them as bone fragments, thus proving which shots fired from a police officer's gun had killed a suspected burglar. SEM-EDXA has not been widely used to identify such material on bullets, but should be considered a potentially powerful tool in forensic science. PMID:3819687

  1. A false report of product tampering involving a rodent and soft drink can: light microscopy, image analysis and scanning electron microscopy/energy dispersive X-ray analysis.

    PubMed

    Platek, F; Ranieri, N; Wolnik, K A

    1997-11-01

    The "Pepsi Tamperings" of 1993 resulted in a large number of cases involving foreign objects reportedly found inside canned soft drinks. Although the majority of cases involved medical syringes and metallic objects, one case involved the report of a mouse found inside a can of Caffeine-Free Diet Pepsi. Using light and polarized light microscopy and computer-assisted image analysis, trace evidence and tooth structure from the suspect mouse were matched to scratches and indentions on the suspect can. Scanning electron microscopy and energy dispersive X-ray analysis were used to compare and match particles of gnawed metal from the lid of the suspect can to other particles recovered from the muzzle and stomach of the suspect mouse. The forensic analyses in this case proved the mouse could not have been canned in the soft drink product and refuted the defendant's sworn statements.

  2. Effects of Pamidronate on Dental Enamel Formation Assessed by Light Microscopy, Energy-Dispersive X-Ray Analysis, Scanning Electron Microscopy, and Microhardness Testing.

    PubMed

    Soares, Ana P; do Espírito Santo, Renan F; Line, Sérgio R P; Pinto, Maria das G F; Santos, Pablo de M; Toralles, Maria Betania P; do Espírito Santo, Alexandre R

    2016-06-01

    The aim of the present work was to investigate birefringence and morphology of the secretory-stage enamel organic extracellular matrix (EOECM), and structural and mechanical properties of mature enamel of upper incisors from adult rats that had been treated with pamidronate disodium (0.5 mg/kg/week for 56 days), using transmitted polarizing and bright-field light microscopies (TPLM and BFLM), energy-dispersive X-ray (EDX) analysis, scanning electron microscopy (SEM) and microhardness testing. BFLM showed no morphological changes of the EOECM in pamidronate and control groups, but TPLM revealed a statistically significant reduction in optical retardation values of birefringence brightness of pamidronate-treated rats when compared with control animals (p0.05). The present study indicates that pamidronate can affect birefringence of the secretory-stage EOECM, which does not seem to be associated with significant changes in morphological and/or mechanical properties of mature enamel. PMID:27212049

  3. Effects of Pamidronate on Dental Enamel Formation Assessed by Light Microscopy, Energy-Dispersive X-Ray Analysis, Scanning Electron Microscopy, and Microhardness Testing.

    PubMed

    Soares, Ana P; do Espírito Santo, Renan F; Line, Sérgio R P; Pinto, Maria das G F; Santos, Pablo de M; Toralles, Maria Betania P; do Espírito Santo, Alexandre R

    2016-06-01

    The aim of the present work was to investigate birefringence and morphology of the secretory-stage enamel organic extracellular matrix (EOECM), and structural and mechanical properties of mature enamel of upper incisors from adult rats that had been treated with pamidronate disodium (0.5 mg/kg/week for 56 days), using transmitted polarizing and bright-field light microscopies (TPLM and BFLM), energy-dispersive X-ray (EDX) analysis, scanning electron microscopy (SEM) and microhardness testing. BFLM showed no morphological changes of the EOECM in pamidronate and control groups, but TPLM revealed a statistically significant reduction in optical retardation values of birefringence brightness of pamidronate-treated rats when compared with control animals (p0.05). The present study indicates that pamidronate can affect birefringence of the secretory-stage EOECM, which does not seem to be associated with significant changes in morphological and/or mechanical properties of mature enamel.

  4. Liver concentrations of copper, zinc, iron and molybdenum in sheep and goats from northern Greece, determined by energy-dispersive X-ray fluorescence spectrometry.

    PubMed

    Papachristodoulou, Christina; Stamoulis, Konstantinos; Tsakos, Panagiotis; Vougidou, Christina; Vozikis, Vasileios; Papadopoulou, Chrissanthy; Ioannides, Konstantinos

    2015-04-01

    Energy-dispersive X-Ray fluorescence spectrometry was used to determine the concentrations of copper (Cu), zinc, iron and molybdenum in the liver of 76 sheep and goats from the regions of Macedonia-Thrace, northern Greece. In general, metal concentrations were in the adequate range, with one main exception of Cu-deficiency observed in all of the examined goat liver samples and Cu-toxicity found in 4 % of the sheep liver samples. One-way analysis of variance was carried out to determine significant differences among means depending on animal species, sex and age. Pearson correlation analysis was used to explore correlations between metal concentrations. The results obtained in the present study are discussed in the framework of diagnostic ranges, suggested for classifying the metal status of sheep and goats, and are compared with liver metal concentrations reported world-wide.

  5. Liver concentrations of copper, zinc, iron and molybdenum in sheep and goats from northern Greece, determined by energy-dispersive X-ray fluorescence spectrometry.

    PubMed

    Papachristodoulou, Christina; Stamoulis, Konstantinos; Tsakos, Panagiotis; Vougidou, Christina; Vozikis, Vasileios; Papadopoulou, Chrissanthy; Ioannides, Konstantinos

    2015-04-01

    Energy-dispersive X-Ray fluorescence spectrometry was used to determine the concentrations of copper (Cu), zinc, iron and molybdenum in the liver of 76 sheep and goats from the regions of Macedonia-Thrace, northern Greece. In general, metal concentrations were in the adequate range, with one main exception of Cu-deficiency observed in all of the examined goat liver samples and Cu-toxicity found in 4 % of the sheep liver samples. One-way analysis of variance was carried out to determine significant differences among means depending on animal species, sex and age. Pearson correlation analysis was used to explore correlations between metal concentrations. The results obtained in the present study are discussed in the framework of diagnostic ranges, suggested for classifying the metal status of sheep and goats, and are compared with liver metal concentrations reported world-wide. PMID:25694162

  6. Remineralization of demineralized enamel by toothpastes: a scanning electron microscopy, energy dispersive X-ray analysis, and three-dimensional stereo-micrographic study.

    PubMed

    Gjorgievska, Elizabeta S; Nicholson, John W; Slipper, Ian J; Stevanovic, Marija M

    2013-06-01

    Remineralization of hard dental tissues is thought to be a tool that could close the gap between prevention and surgical procedures in clinical dentistry. The purpose of this study was to examine the remineralizing potential of different toothpaste formulations: toothpastes containing bioactive glass, hydroxyapatite, or strontium acetate with fluoride, when applied to demineralized enamel. Results obtained by scanning electron microscopy (SEM) and SEM/energy dispersive X-ray analyses proved that the hydroxyapatite and bioactive glass-containing toothpastes were highly efficient in promoting enamel remineralization by formation of deposits and a protective layer on the surface of the demineralized enamel, whereas the toothpaste containing 8% strontium acetate and 1040 ppm fluoride as NaF had little, if any, remineralization potential. In conclusion, the treatment of demineralized teeth with toothpastes containing hydroxyapatite or bioactive glass resulted in repair of the damaged tissue. PMID:23659606

  7. Analysis of Catalonian silver coins from the Spanish War of Independence period (1808-1814) by Energy Dispersive X-ray Fluorescence

    NASA Astrophysics Data System (ADS)

    Pitarch, A.; Queralt, I.; Alvarez-Perez, A.

    2011-02-01

    Between the years 1808 and 1814, the Spanish War of Independence took place. This period, locally known as "Guerra del Francès", generated the need for money and consequently five mints were opened around the Catalan territory. To mark the 200th anniversary of the beginning of the war, an extensive campaign of Energy Dispersive X-ray Fluorescence measurements of some of these "emergency coins" was carried out. Apart from the silver (major constituent of all the studied coins) it has been possible to recognize copper as main metal alloying element. Likewise, the presence of zinc, tin, lead, gold, platinum, antimony, nickel and iron has been also identified. The obtained results have been useful not only for the characterization of the alloys, but also to determine the differences and analogies between the emissions and for historical explanations.

  8. An in situ synchrotron energy-dispersive diffraction study of the hydration of oilwell cement systems under high temperature/autoclave conditions up to 130 deg. C

    SciTech Connect

    Colston, Sally L.; Barnes, Paul . E-mail: p.barnes@bbk.ac.uk; Jupe, Andrew C.; Jacques, Simon D.M.; Hall, Christopher; Livesey, Paul; Dransfield, John; Meller, Nicola; Maitland, Geoffrey C.

    2005-12-15

    The technique of synchrotron energy dispersive diffraction has been developed for in situ studies of cement hydration under autoclave conditions. This has been applied to oilwell cements hydrating at typical oilwell temperatures up to 130 deg. C. The results show clearly the detailed interplay between 11 detectable phases, from which a phase transformation scheme has been derived; this illustrates the progression of hydration up to 130 deg. C for two extreme cases, with and without conservation of water content and autoclave pressure. The monosulphate hydrate phases are found to exhibit different stability bounds, with a surprising sequence of the 14-water, 10-water then 12-water monosulphate as temperature/time increases; the latter form is particularly associated with conditions of water/pressure loss. The effect of retarders on C{sub 3}S dissolution and CH formation is negligible above 70 deg. C, whereas the effect on the calcium sulphoaluminate hydrates is more complex, and possible reasons for this are discussed.

  9. Determination of heavy metals in suspended waste water collected from Oued El Harrach Algiers River by Energy Dispersive X-Ray Fluorescence

    NASA Astrophysics Data System (ADS)

    Ouziane, S.; Amokrane, A.; Toumert, I.

    2013-12-01

    A preliminary study of the atmospheric pollution in the centre of Algiers is one of the important fields of applications in the environmental science. Nowadays, we need to evaluate the level of the contamination which has an unfavourable effect on physicochemical properties of soils and plants and namely also on human health. In the present work, water samples collected from Oued El-Harrach Algiers River, have been filtered in 0.45 μm Millipore filters to be analysed by Energy Dispersive X-Ray Fluorescence technique using 109Cd radioisotope source. Concentrations of the toxic elements like heavy metals are determined and compared with the published ones values by Yoshida [1] and those obtained using PIXE and NAA techniques [6].

  10. Airborne particles in the Miyagi Museum of Art in Sendai, Japan, studied by electron probe X-ray microanalysis and energy dispersive X-ray fluorescence analysis.

    PubMed

    Injuk, Jasna; Osán, Janos; Van Grieken, René; Tsuji, Kouichi

    2002-05-01

    The presented work provides baseline data on the existing airborne conditions in the Miyagi Museum of Art in Sendai, Japan, during the summer of 2000. The chemical composition, size and indoor and outdoor origin of the suspended particulate matter were identified using a number of advanced X-ray techniques, such as Electron Probe X-Ray Microanalysis (EPXMA) and Energy Dispersive X-Ray Fluorescence Analysis (EDXRF). Our results, to the best of our knowledge, represent the first detailed study of the chemical nature of the indoor particulate matter in a Japanese museum and, as such, may contribute to future improvements of the air quality inside museums and to the lasting conservation of works of art.

  11. Characterization of Japanese color sticks by energy dispersive X-ray fluorescence, X-ray diffraction and Fourier transform infrared analysis

    NASA Astrophysics Data System (ADS)

    Manso, M.; Valadas, S.; Pessanha, S.; Guilherme, A.; Queralt, I.; Candeias, A. E.; Carvalho, M. L.

    2010-04-01

    This work comprises the use of energy dispersive X-ray fluorescence (EDXRF), X-ray diffraction (XRD) and Fourier transformed infrared (FTIR) techniques for the study of the composition of twentieth century traditional Japanese color sticks. By using the combination of analytical techniques it was possible to obtain information on inorganic and organic pigments, binders and fillers present in the sticks. The colorant materials identified in the sticks were zinc and titanium white, chrome yellow, yellow and red ochre, vermillion, alizarin, indigo, Prussian and synthetic ultramarine blue. The results also showed that calcite and barite were used as inorganic mineral fillers while Arabic gum was the medium used. EDXRF offered great potential for such investigations since it allowed the identification of the elements present in the sample preserving its integrity. However, this information alone was not enough to clearly identify some of the materials in study and therefore it was necessary to use XRD and FTIR techniques.

  12. High-Energy-Density Fuel Blending Strategies and Drop Dispersion for Fuel Cost Reduction and Soot Propensity Control

    NASA Technical Reports Server (NTRS)

    Bellan, J.; Harstad, K.

    1998-01-01

    The idea that low soot propensity of high-energy-density (HED) liquid sooting fuels and cost reduction of a multicomponent energetic fuel can be achieved by doping a less expensive, less sooting liquid fuel with HED is tested through numerical simulations.

  13. Electrostatic Dispersion and Evaporation of Dense and Dilute Clusters of Drops of High-Energy Fuel For Soot Control

    NASA Technical Reports Server (NTRS)

    Bellan, J.; Harstad, K.

    1997-01-01

    The high-energy-density (HED) fuels developed under U.S. Navy sponsorship as a replacement for conventional liquid fuels, in its missile propulsion systems have the drawback of high soot propensity: this makes misiles visible and thus strategically unacceptabel.

  14. The Analysis of Particles at Low Accelerating Voltages (≤ 10 kV) With Energy Dispersive X-Ray Spectroscopy (EDS).

    PubMed

    Small, J A

    2002-01-01

    In recent years, there have been a series of advancements in electron beam instruments and x-ray detectors which may make it possible to improve significantly the quality of results from the quantitative electron-probe analysis of individual particles. These advances include: (1) field-emission gun electron beam instruments such as scanning electron microscopes (FEG-SEMs) that have high brightness electron guns with excellent performance at low beam energies, E 0 ≤ 10 keV and (2) high-resolution energy-dispersive x-ray spectrometers, like the microcalorimeter detector, that provide high-resolution (< 10 eV) parallel x-ray collection. These devices make it possible to separate low energy (< 4 keV) x-ray lines including the K lines of carbon, nitrogen and oxygen and the L and M lines for elements with atomic numbers in the range of 25 to 83. In light of these advances, this paper investigates the possibility of using accelerating voltages ≤ 10 kV, as a method to improve the accuracy of elemental analysis for micrometer-sized particles.

  15. CHARACTERISTICS OF SPILLED OILS, FUELS, AND PETROLEUM PRODUCTS: 2A. DISPERSANT EFFECTIVENESS DATA FOR A SUITE OF ENVIRONMENTAL CONDITIONS - THE EFFECTS OF TEMPERATURE, VOLATILIZATION, AND ENERGY

    EPA Science Inventory

    Chemical dispersants are used in oil spill response operations to enhance the dispersion of oil slicks at sea as small oil droplets in the water column. To assess the impacts of dispersant usage on oil spills, US EPA is developing a simulation model called the EPA Research Object...

  16. Probing molecular interaction in ionic liquids by low frequency spectroscopy: Coulomb energy, hydrogen bonding and dispersion forces.

    PubMed

    Fumino, Koichi; Reimann, Sebastian; Ludwig, Ralf

    2014-10-28

    Ionic liquids are defined as salts composed solely of ions with melting points below 100 °C. These remarkable liquids have unique and fascinating properties and offer new opportunities for science and technology. New combinations of ions provide changing physical properties and thus novel potential applications for this class of liquid materials. To a large extent, the structure and properties of ionic liquids are determined by the intermolecular interaction between anions and cations. In this perspective we show that far infrared and terahertz spectroscopy are suitable methods for studying the cation-anion interaction in these Coulomb fluids. The interpretation of the measured low frequency spectra is supported by density functional theory calculations and molecular dynamics simulations. We present results for selected aprotic and protic ionic liquids and their mixtures with molecular solvents. In particular, we focus on the strength and type of intermolecular interaction and how both parameters are influenced by the character of the ions and their combinations. We show that the total interaction between cations and anions is a result of a subtle balance between Coulomb forces, hydrogen bonds and dispersion forces. For protic ionic liquids we could measure distinct vibrational modes in the low frequency spectra indicating clearly the cation-anion interaction characterized by linear and medium to strong hydrogen bonds. Using isotopic substitution we have been able to dissect frequency shifts related to pure interaction strength between cations and anions and to different reduced masses only. In this context we also show how these different types of interaction may influence the physical properties of ionic liquids such as the melting point, viscosity or enthalpy of vaporization. Furthermore we demonstrate that low frequency spectroscopy can also be used for studying ion speciation. Low vibrational features can be assigned to contact ion pairs and solvent separated

  17. Wavelength resolved specific optical rotations and homochiral equilibria.

    PubMed

    Polavarapu, P L; Covington, C L

    2015-09-01

    The fundamental expressions governing specific optical rotations (SORs) of homochiral systems exhibiting monomer-dimer equilibria are presented. These equations are then utilized with the experimental measurements of wavelength resolved circular birefringence for (R)-(-)-α-hydroxy-β,β-dimethyl-γ-butyrolactone, to determine the wavelength resolved SORs of monomer and dimer components for the first time. Density functional theory predictions on the corresponding dispersion properties of monomer and dimer are found to match with experimentally determined quantities within a factor of ∼2. The wavelength resolved circular birefringence in the liquid solution phase thus provides a powerful means to investigate the molecular properties involved in homochiral equilibria. PMID:26227210

  18. Pulse shape measurements using single shot-frequency resolved optical gating for high energy (80 J) short pulse (600 fs) laser

    SciTech Connect

    Palaniyappan, S.; Johnson, R.; Shimada, T.; Gautier, D. C.; Letzring, S.; Offermann, D. T.; Fernandez, J. C.; Shah, R. C.; Jung, D.; Hegelich, B. M.; Hoerlein, R.

    2010-10-15

    Relevant to laser based electron/ion accelerations, a single shot second harmonic generation frequency resolved optical gating (FROG) system has been developed to characterize laser pulses (80 J, {approx}600 fs) incident on and transmitted through nanofoil targets, employing relay imaging, spatial filter, and partially coated glass substrates to reduce spatial nonuniformity and B-integral. The device can be completely aligned without using a pulsed laser source. Variations of incident pulse shape were measured from durations of 613 fs (nearly symmetric shape) to 571 fs (asymmetric shape with pre- or postpulse). The FROG measurements are consistent with independent spectral and autocorrelation measurements.

  19. Two-Source Double-Slit Interference in Angle-Resolved High-Energy Above-Threshold Ionization Spectra of Diatoms

    SciTech Connect

    Okunishi, M.; Itaya, R.; Shimada, K.; Pruemper, G.; Ueda, K.; Busuladzic, M.; Gazibegovic-Busuladzic, A.; Milosevic, D. B.; Becker, W.

    2009-07-24

    When an electron from a diatomic molecule undergoes tunneling-rescattering ionization, a novel form of destructive interference can be realized that involves all four geometric orbits that are available to the electron when it is freed, because both ionization and rescattering may take place at the same or at different centers. We find experimentally and confirm theoretically that in orientation-averaged angle-resolved high-order above-threshold ionization spectra the corresponding destructive interference is visible for O{sub 2} but not for N{sub 2}. This effect is different from the suppression of ionization that is well known to occur for O{sub 2}.

  20. Pulsing frequency induced change in optical constants and dispersion energy parameters of WO{sub 3} films grown by pulsed direct current magnetron sputtering

    SciTech Connect

    Punitha, K.; Sivakumar, R.; Sanjeeviraja, C.

    2014-03-21

    In this work, we present the pulsing frequency induced change in the structural, optical, vibrational, and luminescence properties of tungsten oxide (WO{sub 3}) thin films deposited on microscopic glass and fluorine doped tin oxide (SnO{sub 2}:F) coated glass substrates by pulsed dc magnetron sputtering technique. The WO{sub 3} films deposited on SnO{sub 2}:F substrate belongs to monoclinic phase. The pulsing frequency has a significant influence on the preferred orientation and crystallinity of WO{sub 3} film. The maximum optical transmittance of 85% was observed for the film and the slight shift in transmission threshold towards higher wavelength region with increasing pulsing frequency revealed the systematic reduction in optical energy band gap (3.78 to 3.13 eV) of the films. The refractive index (n) of films are found to decrease (1.832 to 1.333 at 550 nm) with increasing pulsing frequency and the average value of extinction coefficient (k) is in the order of 10{sup −3}. It was observed that the dispersion data obeyed the single oscillator of the Wemple-Didomenico model, from which the dispersion energy (E{sub d}) parameters, dielectric constants, plasma frequency, oscillator strength, and oscillator energy (E{sub o}) of WO{sub 3} films were calculated and reported for the first time due to variation in pulsing frequency during deposition by pulsed dc magnetron sputtering. The E{sub o} is change between 6.30 and 3.88 eV, while the E{sub d} varies from 25.81 to 7.88 eV, with pulsing frequency. The Raman peak observed at 1095 cm{sup −1} attributes the presence of W-O symmetric stretching vibration. The slight shift in photoluminescence band is attributed to the difference in excitons transition. We have made an attempt to discuss and correlate these results with the light of possible mechanisms underlying the phenomena.