Role of Möbius constants and scattering functions in Cachazo-He-Yuan scalar amplitudes

NASA Astrophysics Data System (ADS)

Lam, C. S.; Yao, York-Peng

2016-05-01

The integration over the Möbius variables leading to the Cachazo-He-Yuan double-color n -point massless scalar amplitude are carried out one integral at a time. Möbius invariance dictates the final amplitude to be independent of the three Möbius constants σr,σs,σt, but their choice affects integrations and the intermediate results. The effect of the Möbius constants, which will be held finite but otherwise arbitrary, the two sets of colors, and the scattering functions on each integration is investigated. A general systematic way to carry out the n -3 integrations is explained, each exposing one of the n -3 propagators of a single Feynman diagram. Two detailed examples are shown to illustrate the procedure, one a five-point amplitude, and the other a nine-point amplitude. Our procedure does not generate intermediate spurious poles, in contrast to what is common by choosing Möbius constants at 0, 1, and ∞ .

Maxon and roton measurements in nanoconfined 4He

NASA Astrophysics Data System (ADS)

Bryan, M. S.; Sokol, P. E.

2018-05-01

We investigate the behavior of the collective excitations of adsorbed 4He in an ordered hexagonal mesopore, examining the crossover from a thin film to a confined fluid. Here, we present the inelastic scattering results as a function of filling at constant temperature. We find a monotonic transition of the maxon excitation as a function of filling. This has been interpreted as corresponding to an increasing density of the adsorbed helium, which approaches the bulk value as filling increases. The roton minimum exhibits a more complicated behavior that does not monotonically approach bulk values as filling increases. The full pore scattering resembles the bulk liquid accompanied by a layer mode. The maxon and roton scattering, taken together, at intermediate fillings does not correspond to a single bulk liquid dispersion at negative, low, or high pressure.

Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles

NASA Astrophysics Data System (ADS)

Banchio, Adolfo J.; Heinen, Marco; Holmqvist, Peter; Nägele, Gerhard

2018-04-01

We report on a comprehensive theory-simulation-experimental study of collective and self-diffusion in concentrated suspensions of charge-stabilized colloidal spheres. In theory and simulation, the spheres are assumed to interact directly by a hard-core plus screened Coulomb effective pair potential. The intermediate scattering function, fc(q, t), is calculated by elaborate accelerated Stokesian dynamics (ASD) simulations for Brownian systems where many-particle hydrodynamic interactions (HIs) are fully accounted for, using a novel extrapolation scheme to a macroscopically large system size valid for all correlation times. The study spans the correlation time range from the colloidal short-time to the long-time regime. Additionally, Brownian Dynamics (BD) simulation and mode-coupling theory (MCT) results of fc(q, t) are generated where HIs are neglected. Using these results, the influence of HIs on collective and self-diffusion and the accuracy of the MCT method are quantified. It is shown that HIs enhance collective and self-diffusion at intermediate and long times. At short times self-diffusion, and for wavenumbers outside the structure factor peak region also collective diffusion, are slowed down by HIs. MCT significantly overestimates the slowing influence of dynamic particle caging. The dynamic scattering functions obtained in the ASD simulations are in overall good agreement with our dynamic light scattering (DLS) results for a concentration series of charged silica spheres in an organic solvent mixture, in the experimental time window and wavenumber range. From the simulation data for the time derivative of the width function associated with fc(q, t), there is indication of long-time exponential decay of fc(q, t), for wavenumbers around the location of the static structure factor principal peak. The experimental scattering functions in the probed time range are consistent with a time-wavenumber factorization scaling behavior of fc(q, t) that was first reported by Segrè and Pusey [Phys. Rev. Lett. 77, 771 (1996)] for suspensions of hard spheres. Our BD simulation and MCT results predict a significant violation of exact factorization scaling which, however, is approximately restored according to the ASD results when HIs are accounted for, consistent with the experimental findings for fc(q, t). Our study of collective diffusion is amended by simulation and theoretical results for the self-intermediate scattering function, fs(q, t), and its non-Gaussian parameter α2(t) and for the particle mean squared displacement W(t) and its time derivative. Since self-diffusion properties are not assessed in standard DLS measurements, a method to deduce W(t) approximately from fc(q, t) is theoretically validated.

LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron scattering experiments

NASA Astrophysics Data System (ADS)

Walter, Nathan P.; Jaiswal, Abhishek; Cai, Zhikun; Zhang, Yang

2018-07-01

Neutron scattering is a powerful experimental technique for characterizing the structure and dynamics of materials on the atomic or molecular scale. However, the interpretation of experimental data from neutron scattering is oftentimes not trivial, partly because scattering methods probe ensemble-averaged information in the reciprocal space. Therefore, computer simulations, such as classical and ab initio molecular dynamics, are frequently used to unravel the time-dependent atomistic configurations that can reproduce the scattering patterns and thus assist in the understanding of the microscopic origin of certain properties of materials. LiquidLib is a post-processing package for analyzing the trajectory of atomistic simulations of liquids and liquid-like matter with application to neutron scattering experiments. From an atomistic simulation, LiquidLib provides the computation of various statistical quantities including the pair distribution function, the weighted and unweighted structure factors, the mean squared displacement, the non-Gaussian parameter, the four-point correlation function, the velocity auto correlation function, the self and collective van Hove correlation functions, the self and collective intermediate scattering functions, and the bond orientational order parameter. LiquidLib analyzes atomistic trajectories generated from packages such as LAMMPS, GROMACS, and VASP. It also offers an extendable platform to conveniently integrate new quantities into the library and integrate simulation trajectories of other file formats for analysis. Weighting the quantities by element-specific neutron-scattering lengths provides results directly comparable to neutron scattering measurements. Lastly, LiquidLib is independent of dimensionality, which allows analysis of trajectories in two, three, and higher dimensions. The code is beginning to find worldwide use.

Proton-Proton Elastic Scattering Excitation Functions at Intermediate Energies: Cross Sections and Analyzing Powers

NASA Astrophysics Data System (ADS)

Hinterberger, F.; Rohdjeß, H.; Altmeier, M.; Bauer, F.; Bisplinghoff, J.; Büßer, K.; Busch, M.; Colberg, T.; Diehl, O.; Dohrmann, F.; Engelhardt, H. P.; Eversheim, P. D.; Felden, O.; Gebel, R.; Glende, M.; Greiff, J.; Groß-Hardt, R.; Hinterberger, F.; Jahn, R.; Jonas, E.; Krause, H.; Langkau, R.; Lindemann, T.; Lindlein, J.; Maier, R.; Maschuw, R.; Mayer-Kuckuk, T.; Meinerzhagen, A.; Nähle, O.; Prasuhn, D.; Rohdjeß, H.; Rosendaal, D.; von Rossen, P.; Schirm, N.; Schulz-Rojahn, M.; Schwarz, V.; Scobel, W.; Trelle, H. J.; Weise, E.; Wellinghausen, A.; Woller, K.; Ziegler, R.

2000-01-01

The EDDA experiment at the cooler synchrotron COSY measures proton-proton elastic scattering excitation functions in the momentum range 0.8 - 3.4 GeV/c. In phase 1 of the experiment, spin-averaged differential cross sections were measured continuously during acceleration with an internal polypropylene (CH2) fiber target, taking particular care to monitor luminosity as a function of beam momentum. In phase 2, excitation functions of the analyzing power AN and the polarization correlation parameters ANN, ASS and ASL are measured using a polarized proton beam and a polarized atomic hydrogen beam target. The paper presents recent dσ/dΩ and AN data. The results provide excitation functions and angular distributions of high precision and internal consistency. No evidence for narrow structures was found. The data are compared to recent phase shift solutions.

Exclusive QCD processes, quark-hadron duality, and the transition to perturbative QCD

NASA Astrophysics Data System (ADS)

Corianò, Claudio; Li, Hsiang-nan; Savkli, Cetin

1998-07-01

Experiments at CEBAF will scan the intermediate-energy region of the QCD dynamics for the nucleon form factors and for Compton Scattering. These experiments will definitely clarify the role of resummed perturbation theory and of quark-hadron duality (QCD sum rules) in this regime. With this perspective in mind, we review the factorization theorem of perturbative QCD for exclusive processes at intermediate energy scales, which embodies the transverse degrees of freedom of a parton and the Sudakov resummation of the corresponding large logarithms. We concentrate on the pion and proton electromagnetic form factors and on pion Compton scattering. New ingredients, such as the evolution of the pion wave function and the complete two-loop expression of the Sudakov factor, are included. The sensitivity of our predictions to the infrared cutoff for the Sudakov evolution is discussed. We also elaborate on QCD sum rule methods for Compton Scattering, which provide an alternative description of this process. We show that, by comparing the local duality analysis to resummed perturbation theory, it is possible to describe the transition of exclusive processes to perturbative QCD.

Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles.

PubMed

Banchio, Adolfo J; Heinen, Marco; Holmqvist, Peter; Nägele, Gerhard

2018-04-07

We report on a comprehensive theory-simulation-experimental study of collective and self-diffusion in concentrated suspensions of charge-stabilized colloidal spheres. In theory and simulation, the spheres are assumed to interact directly by a hard-core plus screened Coulomb effective pair potential. The intermediate scattering function, f c (q, t), is calculated by elaborate accelerated Stokesian dynamics (ASD) simulations for Brownian systems where many-particle hydrodynamic interactions (HIs) are fully accounted for, using a novel extrapolation scheme to a macroscopically large system size valid for all correlation times. The study spans the correlation time range from the colloidal short-time to the long-time regime. Additionally, Brownian Dynamics (BD) simulation and mode-coupling theory (MCT) results of f c (q, t) are generated where HIs are neglected. Using these results, the influence of HIs on collective and self-diffusion and the accuracy of the MCT method are quantified. It is shown that HIs enhance collective and self-diffusion at intermediate and long times. At short times self-diffusion, and for wavenumbers outside the structure factor peak region also collective diffusion, are slowed down by HIs. MCT significantly overestimates the slowing influence of dynamic particle caging. The dynamic scattering functions obtained in the ASD simulations are in overall good agreement with our dynamic light scattering (DLS) results for a concentration series of charged silica spheres in an organic solvent mixture, in the experimental time window and wavenumber range. From the simulation data for the time derivative of the width function associated with f c (q, t), there is indication of long-time exponential decay of f c (q, t), for wavenumbers around the location of the static structure factor principal peak. The experimental scattering functions in the probed time range are consistent with a time-wavenumber factorization scaling behavior of f c (q, t) that was first reported by Segrè and Pusey [Phys. Rev. Lett. 77, 771 (1996)] for suspensions of hard spheres. Our BD simulation and MCT results predict a significant violation of exact factorization scaling which, however, is approximately restored according to the ASD results when HIs are accounted for, consistent with the experimental findings for f c (q, t). Our study of collective diffusion is amended by simulation and theoretical results for the self-intermediate scattering function, f s (q, t), and its non-Gaussian parameter α 2 (t) and for the particle mean squared displacement W(t) and its time derivative. Since self-diffusion properties are not assessed in standard DLS measurements, a method to deduce W(t) approximately from f c (q, t) is theoretically validated.

Direct Observation of Cooperative Protein Structural Dynamics of Homodimeric Hemoglobin from 100 ps to 10 ms with Pump-Probe X-ray Solution Scattering

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

Kim, Kyung Hwan; Muniyappan, Srinivasan; Oang, Key Young

2012-05-29

Proteins serve as molecular machines in performing their biological functions, but the detailed structural transitions are difficult to observe in their native aqueous environments in real time. For example, despite extensive studies, the solution-phase structures of the intermediates along the allosteric pathways for the transitions between the relaxed (R) and tense (T) forms have been elusive. In this work, we employed picosecond X-ray solution scattering and novel structural analysis to track the details of the structural dynamics of wild-type homodimeric hemoglobin (HbI) from the clam Scapharca inaequivalvis and its F97Y mutant over a wide time range from 100 ps tomore » 56.2 ms. From kinetic analysis of the measured time-resolved X-ray solution scattering data, we identified three structurally distinct intermediates (I 1, I 2, and I 3) and their kinetic pathways common for both the wild type and the mutant. The data revealed that the singly liganded and unliganded forms of each intermediate share the same structure, providing direct evidence that the ligand photolysis of only a single subunit induces the same structural change as the complete photolysis of both subunits does. In addition, by applying novel structural analysis to the scattering data, we elucidated the detailed structural changes in the protein, including changes in the heme-heme distance, the quaternary rotation angle of subunits, and interfacial water gain/loss. The earliest, R-like I 1 intermediate is generated within 100 ps and transforms to the R-like I 2 intermediate with a time constant of 3.2 ± 0.2 ns. Subsequently, the late, T-like I 3 intermediate is formed via subunit rotation, a decrease in the heme-heme distance, and substantial gain of interfacial water and exhibits ligation-dependent formation kinetics with time constants of 730 ± 120 ns for the fully photolyzed form and 5.6 ± 0.8 μs for the partially photolyzed form. For the mutant, the overall kinetics are accelerated, and the formation of the T-like I 3 intermediate involves interfacial water loss (instead of water entry) and lacks the contraction of the heme-heme distance, thus underscoring the dramatic effect of the F97Y mutation. The ability to keep track of the detailed movements of the protein in aqueous solution in real time provides new insights into the protein structural dynamics.« less

Crystallization in diblock copolymer thin films at different degrees of supercooling

NASA Astrophysics Data System (ADS)

Darko, C.; Botiz, I.; Reiter, G.; Breiby, D. W.; Andreasen, J. W.; Roth, S. V.; Smilgies, D.-M.; Metwalli, E.; Papadakis, C. M.

2009-04-01

The crystalline structures in thin films of polystyrene- b -poly(ethylene oxide) (PS- b -PEO) diblock copolymers were studied in dependence on the degree of supercooling. Atomic force microscopy showed that the crystalline domains (lamellae) consist of grains, which are macroscopic at low and intermediate degrees of supercooling, but of submicrometer size for strong supercooling. Using grazing-incidence wide-angle x-ray scattering, we could determine the grain orientation distribution function which shows that the chain stems are perpendicular to the lamellae at low supercooling, but tilted at intermediate and strong supercooling. These results suggest that, at intermediate and strong supercooling, the crystalline PEO lamellae do not grow homogeneously, but by the formation of small crystallites at the growth front.

Proton-proton elastic scattering excitation functions at intermediate energies

NASA Astrophysics Data System (ADS)

Rohdjess, H.

1998-05-01

Polarized and unpolarized proton-proton elastic scattering is investigated with the EDDA-experiment at the Cooler Synchrotron COSY at Jülich to significantly improve the world data base in the beam energy range 500-2500 MeV. Measurements during beam acceleration with thin internal targets and a large acceptance detector provide excitation functions over a broad angular and energy range with unprecedented internal consistency. Data taking with an unpolarized CH2 fiber target and an unpolarized beam have been completed and the derived differential cross sections are presented and compared to a recent phase shift analysis. With a polarized atomic beam target newly installed in COSY and a polarized COSY beam—currently under development—the measurements will be extended to analyzing powers and spin correlation parameters.

Desmin filaments studied by quasi-elastic light scattering.

PubMed Central

Hohenadl, M; Storz, T; Kirpal, H; Kroy, K; Merkel, R

1999-01-01

We studied polymers of desmin, a muscle-specific type III intermediate filament protein, using quasi-elastic light scattering. Desmin was purified from chicken gizzard. Polymerization was induced either by 2 mM MgCl(2) or 150 mM NaCl. The polymer solutions were in the semidilute regime. We concluded that the persistence length of the filaments is between 0.1 and 1 microm. In all cases, we found a hydrodynamic diameter of desmin filaments of 16-18 nm. The filament dynamics exhibits a characteristic frequency in the sense that correlation functions measured on one sample but at different scattering vectors collapse onto a single master curve when time is normalized by the experimentally determined initial decay rate. PMID:10512839

V-T theory for the self-intermediate scattering function in a monatomic liquid

NASA Astrophysics Data System (ADS)

Wallace, Duane C.; Chisolm, Eric D.; De Lorenzi-Venneri, Giulia

2017-02-01

In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valleys. In its first application to the self intermediate scattering function (SISF), V-T theory produced an accurate account of molecular dynamics (MD) data at all wave numbers q and time t. Recently, analysis of the mean square displacement (MSD) resolved a crossover behavior that was not observed in the SISF study. Our purpose here is to apply the more accurate MSD calibration to the SISF, and assess the results. We derive and discuss the theoretical equations for vibrational and transit contributions to the SISF. The time evolution is divided into three successive intervals: the vibrational interval when the vibrational contribution alone accurately accounts for the MD data; the crossover when the vibrational contribution saturates and the transit contribution becomes resolved; and the diffusive interval when the transit contribution alone accurately accounts for the MD data. The resulting theoretical error is extremely small at all q and t. V-T theory is compared to mode-coupling theories for the MSD and SISF, and to recent developments in Brownian motion experiments and theory.

Two-potential approach for electron-molecular collisions at intermediate and high energies - Application to e-N2 scatterings

NASA Technical Reports Server (NTRS)

Choi, B. H.; Poe, R. T.; Sun, J. C.; Shan, Y.

1979-01-01

A general theoretical approach is proposed for the calculation of elastic, vibrational, and rotational transitions for electron-molecule scattering at intermediate and high-electron-impact energies. In this formulation, contributions to the scattering process come from the incoherent sum of two dominant potentials: a short-range shielded nuclear Coulomb potential from individual atomic centers, and a permanent/induced long-range potential. Application to e-N2 scattering from 50-500 eV incident electron energies has yielded good agreement with absolutely calibrated experiments. Comparisons with other theoretical approaches are made. The physical picture as well as the general features of electron-molecule scattering process are discussed within the framework of the two-potential approach.

Molecular dynamics simulations of propane in slit shaped silica nano-pores: direct comparison with quasielastic neutron scattering experiments.

PubMed

Gautam, Siddharth; Le, Thu; Striolo, Alberto; Cole, David

2017-12-13

Molecular motion under confinement has important implications for a variety of applications including gas recovery and catalysis. Propane confined in mesoporous silica aerogel as studied using quasielastic neutron scattering (QENS) showed anomalous pressure dependence in its diffusion coefficient (J. Phys. Chem. C, 2015, 119, 18188). Molecular dynamics (MD) simulations are often employed to complement the information obtained from QENS experiments. Here, we report an MD simulation study to probe the anomalous pressure dependence of propane diffusion in silica aerogel. Comparison is attempted based on the self-diffusion coefficients and on the time scales of the decay of the simulated intermediate scattering functions. While the self-diffusion coefficients obtained from the simulated mean squared displacement profiles do not exhibit the anomalous pressure dependence observed in the experiments, the time scales of the decay of the intermediate scattering functions calculated from the simulation data match the corresponding quantities obtained in the QENS experiment and thus confirm the anomalous pressure dependence of the diffusion coefficient. The origin of the anomaly in pressure dependence lies in the presence of an adsorbed layer of propane molecules that seems to dominate the confined propane dynamics at low pressure, thereby lowering the diffusion coefficient. Further, time scales for rotational motion obtained from the simulations explain the absence of rotational contribution to the QENS spectra in the experiments. In particular, the rotational motion of the simulated propane molecules is found to exhibit large angular jumps at lower pressure. The present MD simulation work thus reveals important new insights into the origin of anomalous pressure dependence of propane diffusivity in silica mesopores and supplements the information obtained experimentally by QENS data.

Multipoint Green's functions in 1 + 1 dimensional integrable quantum field theories

DOE PAGES

Babujian, H. M.; Karowski, M.; Tsvelik, A. M.

2017-02-14

We calculate the multipoint Green functions in 1+1 dimensional integrable quantum field theories. We use the crossing formula for general models and calculate the 3 and 4 point functions taking in to account only the lower nontrivial intermediate states contributions. Then we apply the general results to the examples of the scaling Z 2 Ising model, sinh-Gordon model and Z 3 scaling Potts model. We demonstrate this calculations explicitly. The results can be applied to physical phenomena as for example to the Raman scattering.

Analysis of all-frequency variational behavior of the Kirchhoff approximation for a classic surface-scattering model

NASA Technical Reports Server (NTRS)

Bird, J. F.

1985-01-01

In testing a stochastic variational principle at high frequencies by using a Kirchhoffean trial function in an idealized model for surface scattering - a randomly embossed plane - we have found not only the predicted high-frequency improvement but also an unexpected low-frequency improvement in the calculated scattering amplitudes. To investigate systematically the all-frequency variational behavior, we consider here the deterministic one-boss case - Rayleigh's classic model whose exact solution is available for comparison - over all wavelengths, polarizations, and configurations of incidence and scattering. We examine analytically in particular the long-wave limit of the variational-Kirchhoff amplitudes; the results demonstrate improvements in both wavelength and angle depedence for horizontal (TM) polarization and some variational improvements for vertical (TE) polarization. This low-frequency behavior in tandem with the foreseen high-frequency improvement leads to good variational-Kirchhoff results through the intermediate resonance-frequency regime for this model.

Defect mapping system

DOEpatents

Sopori, Bhushan L.

1995-01-01

Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities.

Defect mapping system

DOEpatents

Sopori, B.L.

1995-04-11

Apparatus for detecting and mapping defects in the surfaces of polycrystalline materials in a manner that distinguishes dislocation pits from grain boundaries includes a laser for illuminating a wide spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate rastor mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities. 20 figures.

The small angle x-ray scattering of globular proteins in solution during heat denaturation

NASA Astrophysics Data System (ADS)

Banuelos, Jose; Urquidi, Jacob

2008-10-01

The ability of proteins to change their conformation in response to changes in their environment has consequences in biological processes like metabolism, chemical regulation in cells, and is believed to play a role in the onset of several neurodegenerative diseases. Factors such as a change in temperature, pressure, and the introduction of ions into the aqueous environment of a protein can give rise to the folding/unfolding of a protein. As a protein unfolds, the ratio of nonpolar to polar groups exposed to water changes, affecting a protein's thermodynamic properties. Using small angle x-ray scattering (SAXS), we are currently studying the intermediate protein conformations that arise during the folding/unfolding process as a function of temperature for five globular proteins. Trends in the observed intermediate structures of these globular proteins, along with correlations with data on protein thermodynamics may help elucidate shared characteristics between all proteins in the folding/unfolding process. Experimental design considerations will be discussed and preliminary results for some of these systems will be presented.

Differential dynamic microscopy to characterize Brownian motion and bacteria motility

NASA Astrophysics Data System (ADS)

Germain, David; Leocmach, Mathieu; Gibaud, Thomas

2016-03-01

We have developed a lab module for undergraduate students, which involves the process of quantifying the dynamics of a suspension of microscopic particles using Differential Dynamic Microscopy (DDM). DDM is a relatively new technique that constitutes an alternative method to more classical techniques such as dynamic light scattering (DLS) or video particle tracking (VPT). The technique consists of imaging a particle dispersion with a standard light microscope and a camera and analyzing the images using a digital Fourier transform to obtain the intermediate scattering function, an autocorrelation function that characterizes the dynamics of the dispersion. We first illustrate DDM in the textbook case of colloids under Brownian motion, where we measure the diffusion coefficient. Then we show that DDM is a pertinent tool to characterize biological systems such as motile bacteria.

Ultraviolet photometry from the orbiting astronomical observatory. XXX - The Orion reflection nebulosity

NASA Technical Reports Server (NTRS)

Witt, A. N.; Lillie, C. F.

1978-01-01

Surface-brightness measurements are presented that cover the region of Orion in nine intermediate-width bandpasses ranging from 4250 to 1550 A. The existence of an extended ultraviolet reflection nebulosity in this area is confirmed, and the characteristics of its spectrum and spatial distribution are derived. The observations are consistent with a model in which the dense molecular cloud complex in Orion is illuminated by the foreground Orion aggregate of early-type stars. The interpretation is complicated by the fact that foreground dust may contribute to the observed scattered light. The scattering particles in the cloud appear to exhibit a wavelength-dependent albedo similar to that found for interstellar grains in general, with a strong indication that the phase function changes to a less forward-scattering form in the ultraviolet.

X-ray scattering measurements of dissociation-induced metallization of dynamically compressed deuterium

DOE PAGES

Davis, P.; Döppner, T.; Rygg, J. R.; ...

2016-04-18

Hydrogen, the simplest element in the universe, has a surprisingly complex phase diagram. Because of applications to planetary science, inertial confinement fusion and fundamental physics, its high-pressure properties have been the subject of intense study over the past two decades. While sophisticated static experiments have probed hydrogen’s structure at ever higher pressures, studies examining the higher-temperature regime using dynamic compression have mostly been limited to optical measurement techniques. Here we present spectrally resolved x-ray scattering measurements from plasmons in dynamically compressed deuterium. Combined with Compton scattering, and velocity interferometry to determine shock pressure and mass density, this allows us tomore » extract ionization state as a function of compression. Furthermore, the onset of ionization occurs close in pressure to where density functional theory-molecular dynamics (DFT-MD) simulations show molecular dissociation, suggesting hydrogen transitions from a molecular and insulating fluid to a conducting state without passing through an intermediate atomic phase.« less

On the connection between the Koppel-Young and the Nelkin Models for thermal neutron scattering in water molecules

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

Markovic, M.I.

1982-10-01

A critical analysis of the Koppel-Young model is presented and compared with Nelkin's model and their equivalence is asserted. It is shown that the only distinction between the two models is in the orientational averaging of the rotational-vibrational intermedial scattering function. Based on total cross sections, the Krieger-Nelkin orientation averaging has been confirmed to give excellent agreement with the Koppel-Young orientation averaging. However, significant quasi-periodical differences are observed when calculating differential cross sections. As a result of these insights, a new unified model is proposed for microdynamics of water molecules.

New approach to CT pixel-based photon dose calculations in heterogeneous media

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

Wong, J.W.; Henkelman, R.M.

The effects of small cavities on dose in water and the dose in a homogeneous nonunit density medium illustrate that inhomogeneities do not act independently in photon dose perturbation, and serve as two constraints which should be satisfied by approximate methods of computed tomography (CT) pixel-based dose calculations. Current methods at best satisfy only one of the two constraints and show inadequacies in some intermediate geometries. We have developed an approximate method that satisfies both these constraints and treats much of the synergistic effect of multiple inhomogeneities correctly. The method calculates primary and first-scatter doses by first-order ray tracing withmore » the first-scatter contribution augmented by a component of second scatter that behaves like first scatter. Multiple-scatter dose perturbation values extracted from small cavity experiments are used in a function which approximates the small residual multiple-scatter dose. For a wide range of geometries tested, our method agrees very well with measurements. The average deviation is less than 2% with a maximum of 3%. In comparison, calculations based on existing methods can have errors larger than 10%.« less

Reaction intermediates in the catalytic Gif-type oxidation from nuclear inelastic scattering

NASA Astrophysics Data System (ADS)

Rajagopalan, S.; Asthalter, T.; Rabe, V.; Laschat, S.

2016-12-01

Nuclear inelastic scattering (NIS) of synchrotron radiation, also known as nuclear resonant vibrational spectroscopy (NRVS), has been shown to provide valuable insights into metal-centered vibrations at Mössbauer-active nuclei. We present a study of the iron-centered vibrational density of states (VDOS) during the first step of the Gif-type oxidation of cyclohexene with a novel trinuclear Fe3(μ 3-O) complex as catalyst precursor. The experiments were carried out on shock-frozen solutions for different combinations of reactants: Fe3(μ 3-O) in pyridine solution, Fe3(μ 3-O) plus Zn/acetic acid in pyridine without and with addition of either oxygen or cyclohexene, and Fe3(μ 3-O)/Zn/acetic acid/pyridine/cyclohexene (reaction mixture) for reaction times of 1 min, 5 min, and 30 min. The projected VDOS of the Fe atoms was calculated on the basis of pseudopotential density functional calculations. Two possible reaction intermediates were identified as [Fe(III)(C5H5N)2(O2CCH3)2]+ and Fe(II)(C5H5N)4(O2CCH3)2, yielding evidence that NIS (NRVS) allows to identify the presence of iron-centered intermediates also in complex reaction mixtures.

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

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

Neilson, James R.; McQueen, Tyrel M.

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

DOE PAGES

Neilson, James R.; McQueen, Tyrel M.

2015-09-20

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Glauber exchange amplitudes. [electron scattering from H atoms

NASA Technical Reports Server (NTRS)

Madan, R. N.

1975-01-01

The extrapolation method of Ochkur, valid for intermediate energies (about 50 eV), is applied to the exchange form of the Glauber amplitudes. In the case of elastic scattering of electrons from hydrogen atoms at 54.4 Ev the 'post' and 'prior' forms of the exchange amplitude are equivalent, whereas for the case of inelastic scattering there is a minute discrepancy between the two forms of the amplitude. The results are compared with the close-coupling calculation. The investigation is expected to be useful for optically forbidden exchange-allowed transitions due to electron impact at intermediate energies.

V-T theory for the Self-Intermediate Scattering Function in a Monatomic Liquid

DOE PAGES

Wallace, Duane C.; Chisolm, Eric D.; De Lorenzi-Venneri, Giulia

2016-12-12

In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valleys. Here, in its first application to the self intermediate scattering function (SISF), V-T theory produced an accurate account of molecular dynamics (MD) data at all wave numbers q and time t. Recently, analysis of the mean square displacement (MSD) resolved a crossover behavior that was not observed in the SISF study. Our purpose here is to apply the more accurate MSD calibration to the SISF, and assess the results. We derive andmore » discuss the theoretical equations for vibrational and transit contributions to the SISF. The time evolution is divided into three successive intervals: the vibrational interval when the vibrational contribution alone accurately accounts for the MD data; the crossover when the vibrational contribution saturates and the transit contribution becomes resolved; and the diffusive interval when the transit contribution alone accurately accounts for the MD data. Finally, the resulting theoretical error is extremely small at all q and t. V-T theory is compared to mode-coupling theories for the MSD and SISF, and to recent developments in Brownian motion experiments and theory.« less

Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor

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

Mantha, Sriteja; Yethiraj, Arun

2016-02-24

The properties of water under confinement are of practical and fundamental interest. Here in this work we study the properties of water in the self-assembled lyotropic phases of gemini surfactants with a focus on testing the standard analysis of quasi-elastic neutron scattering (QENS) experiments. In QENS experiments the dynamic structure factor is measured and fit to models to extract the translational diffusion constant, D T , and rotational relaxation time, τ R. We test this procedure by using simulation results for the dynamic structure factor, extracting the dynamic parameters from the fit as is typically done in experiments, and comparingmore » the values to those directly measured in the simulations. We find that the decoupling approximation, where the intermediate scattering function is assumed to be a product of translational and rotational contributions, is quite accurate. The jump-diffusion and isotropic rotation models, however, are not accurate when the degree of confinement is high. In particular, the exponential approximations for the intermediate scattering function fail for highly confined water and the values of D T and τ R can differ from the measured value by as much as a factor of two. Other models have more fit parameters, however, and with the range of energies and wave-vectors accessible to QENS, the typical analysis appears to be the best choice. In the most confined lamellar phase, the dynamics are sufficiently slow that QENS does not access a large enough time scale and neutron spin echo measurements would be a valuable technique in addition to QENS.« less

Phase transformation in multiferroic Bi5Ti3FeO15 ceramics by temperature-dependent ellipsometric and Raman spectra: An interband electronic transition evidence

NASA Astrophysics Data System (ADS)

Jiang, P. P.; Duan, Z. H.; Xu, L. P.; Zhang, X. L.; Li, Y. W.; Hu, Z. G.; Chu, J. H.

2014-02-01

Thermal evolution and an intermediate phase between ferroelectric orthorhombic and paraelectric tetragonal phase of multiferroic Bi5Ti3FeO15 ceramic have been investigated by temperature-dependent spectroscopic ellipsometry and Raman scattering. Dielectric functions and interband transitions extracted from the standard critical-point model show two dramatic anomalies in the temperature range of 200-873 K. It was found that the anomalous temperature dependence of electronic transition energies and Raman mode frequencies around 800 K can be ascribed to intermediate phase transformation. Moreover, the disappearance of electronic transition around 3 eV at 590 K is associated with the conductive property.

A Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts

PubMed Central

Zhong, Qin; Johnson, Jerainne; Aamer, Khaled A.; Tyagi, Madhusudan

2011-01-01

We show that the short-time behavior of time-resolved fluorescence Stokes shifts (TRSS) are similar to that of the intermediate scattering function obtained from neutron scattering at q near the peak in the static structure factor for glycerol. This allows us to extract a Debye-Waller (DW) factor analog from TRSS data at times as short as 1 ps in a relatively simple way. Using the time-domain relaxation data obtained by this method we show that DW factors evaluated at times ≥ 40 ps can be directly influenced by α relaxation and thus should be used with caution when evaluating relationships between fast and slow dynamics in glassforming systems. PMID:21701673

Impact of wavefront distortion and scattering on 2-photon microscopy in mammalian brain tissue

PubMed Central

Chaigneau, Emmanuelle; Wright, Amanda J.; Poland, Simon P.; Girkin, John M.; Silver, R. Angus

2011-01-01

Two-photon (2P) microscopy is widely used in neuroscience, but the optical properties of brain tissue are poorly understood. We have investigated the effect of brain tissue on the 2P point spread function (PSF2P) by imaging fluorescent beads through living cortical slices. By combining this with measurements of the mean free path of the excitation light, adaptive optics and vector-based modeling that includes phase modulation and scattering, we show that tissue-induced wavefront distortions are the main determinant of enlargement and distortion of the PSF2P at intermediate imaging depths. Furthermore, they generate surrounding lobes that contain more than half of the 2P excitation. These effects reduce the resolution of fine structures and contrast and they, together with scattering, limit 2P excitation. Our results disentangle the contributions of scattering and wavefront distortion in shaping the cortical PSF2P, thereby providing a basis for improved 2P microscopy. PMID:22109156

Optimal Shape in Electromagnetic Scattering by Small Aspherical Particles

NASA Astrophysics Data System (ADS)

Kostinski, A. B.; Mongkolsittisilp, A.

2013-12-01

We consider the question of optimal shape for scattering by randomly oriented particles, e.g., shape causing minimal extinction among those of equal volume. Guided by the isoperimetric property of a sphere, relevant in the geometrical optics limit of scattering by large particles, we examine an analogous question in the low frequency (electrostatics) approximation, seeking to disentangle electric and geometric contributions. To that end, we survey the literature on shape functionals and focus on ellipsoids, giving a simple proof of spherical optimality for the coated ellipsoidal particle. Monotonic increase with asphericity in the low frequency regime for orientation-averaged induced dipole moments and scattering cross-sections is also established. Additional physical insight is obtained from the Rayleigh-Gans (transparent) limit and eccentricity expansions. We propose linking low and high frequency regime in a single minimum principle valid for all size parameters, provided that reasonable size distributions wash out the resonances for inter-mediate size parameters. This proposal is further supported by the sum rule for integrated extinction. Implications for spectro-polarimetric scattering are explicitly considered.

Studies of electron-molecule collisions - Applications to e-H2O

NASA Technical Reports Server (NTRS)

Brescansin, L. M.; Lima, M. A. P.; Gibson, T. L.; Mckoy, V.; Huo, W. M.

1986-01-01

Elastic differential and momentum transfer cross sections for the elastic scattering of electrons by H2O are reported for collision energies from 2 to 20 eV. These fixed-nuclei static-exchange cross sections were obtained using the Schwinger variational approach. In these studies the exchange potential is directly evaluated and not approximated by local models. The calculated differential cross sections, obtained with a basis set expansion of the scattering wave function, agree well with available experimental data at intermediate and larger angles. As used here, the results cannot adequately describe the divergent cross sections at small angles. An interesting feature of the calculated cross sections, particularly at 15 and 20 eV, is their significant backward peaking. This peaking occurs in the experimentally inaccessible region beyond a scattering angle of 120 deg. The implication of this feature for the determination of momentum transfer cross sections is described.

Inclusion of electron correlation for the target wave function in low- to intermediate-energy e-N2 scattering

NASA Technical Reports Server (NTRS)

Weatherford, C. A.; Brown, F. B.; Temkin, A.

1987-01-01

In a recent calculation, an exact exchange method was developed for use in the partial-differential-equation approach to electron-molecule scattering and was applied to e-N2 scattering in the fixed-nuclei approximation with an adiabatic polarization potential at low energies (0-10 eV). Integrated elastic cross sections were calculated and found to be lower than experiment at energies both below and above the Pi(g) resonance. It was speculated at that time that improved experimental agreement could be obtained if a correlated target representation were used in place of the uncorrelated one. The present paper implements this suggestion and demonstrates the improved agreement. These calculations are also extended to higher energies (0-30 eV) so asd to include the Sigma(u) resonance. Some discrepancies among the experiments and between experiment and the various calculations at very low energy are noted.

Counter-ions dynamics in highly plastic and conducting compounds of poly(aniline). A quasi-elastic neutron scattering study.

PubMed

Djurado, David; Bée, Marc; Sniechowski, Maciej; Howells, Spencer; Rannou, Patrice; Pron, Adam; Travers, J P; Luzny, Wojciech

2005-03-21

Proton dynamics in films of poly(aniline) "plastdoped" with di-esters of sulfophthalic (or sulfosuccinic) acids have been investigated by using quasi-elastic neutron scattering techniques. A broad time range (10(-13)-10(-9) s) has been explored by using four different spectrometers. In this time range, the dynamics is exclusively due to protons attached to the flexible tails of the counter-ions. A model of limited diffusion in spheres whose radii are distributed in size gives a realistic view of the geometry of molecular motions. However, it is found that the characteristic times of these motions are widely distributed over several orders of magnitude. The time decay of the intermediate scattering function is well described by a time power law. This behaviour is qualitatively discussed in connection with the structure of the systems and by comparison with other so-called complex systems.

Universal scaling in the aging of the strong glass former SiO{sub 2}

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

Vollmayr-Lee, Katharina, E-mail: kvollmay@bucknell.edu; Gorman, Christopher H.; Castillo, Horacio E.

We show that the aging dynamics of a strong glass former displays a strikingly simple scaling behavior, connecting the average dynamics with its fluctuations, namely, the dynamical heterogeneities. We perform molecular dynamics simulations of SiO{sub 2} with van Beest-Kramer-van Santen interactions, quenching the system from high to low temperature, and study the evolution of the system as a function of the waiting time t{sub w} measured from the instant of the quench. We find that both the aging behavior of the dynamic susceptibility χ{sub 4} and the aging behavior of the probability distribution P(f{sub s,r}) of the local incoherent intermediatemore » scattering function f{sub s,r} can be described by simple scaling forms in terms of the global incoherent intermediate scattering function C. The scaling forms are the same that have been found to describe the aging of several fragile glass formers and that, in the case of P(f{sub s,r}), have been also predicted theoretically. A thorough study of the length scales involved highlights the importance of intermediate length scales. We also analyze directly the scaling dependence on particle type and on wavevector q and find that both the average and the fluctuations of the slow aging dynamics are controlled by a unique aging clock, which is not only independent of the wavevector q, but is also the same for O and Si atoms.« less

Born iterative reconstruction using perturbed-phase field estimates.

PubMed

Astheimer, Jeffrey P; Waag, Robert C

2008-10-01

A method of image reconstruction from scattering measurements for use in ultrasonic imaging is presented. The method employs distorted-wave Born iteration but does not require using a forward-problem solver or solving large systems of equations. These calculations are avoided by limiting intermediate estimates of medium variations to smooth functions in which the propagated fields can be approximated by phase perturbations derived from variations in a geometric path along rays. The reconstruction itself is formed by a modification of the filtered-backpropagation formula that includes correction terms to account for propagation through an estimated background. Numerical studies that validate the method for parameter ranges of interest in medical applications are presented. The efficiency of this method offers the possibility of real-time imaging from scattering measurements.

Glasslike dynamical behavior of the plastocyanin hydration water

NASA Astrophysics Data System (ADS)

Bizzarri, Anna Rita; Paciaroni, Alessandro; Cannistraro, Salvatore

2000-09-01

The dynamical behavior of water around plastocyanin has been investigated in a wide temperature range by molecular dynamics simulation. The mean square displacements of water oxygen atoms show, at long times, a tα trend for all temperatures. Below 150 K, α is constant and equal to 1; at higher temperatures it drops to a value significantly smaller than 1, and thereafter decreases with increasing temperature. The occurrence of such an anomalous diffusion matches the onset of the dynamical transition observed in the protein. The intermediate scattering function of water is characterized, at high temperature, by a stretched exponential decay evolving, at low temperature, toward a two step relaxation behavior, which becomes more evident on increasing the exchanged wave vector q. Both the mean square displacements and the intermediate scattering functions show, beyond the ballistic regime, a plateau, which progressively extends for longer times as long as the temperature is lowered, such behavior reflecting trapping of water molecules within a cage formed by the nearest neighbors. At low temperature, a low frequency broad inelastic peak is observed in the dynamical structure factor of hydration water; such an excess of vibrational modes being reminiscent of the boson peak, characteristic of disordered, amorphous systems. All these features, which are typical of complex systems, can be traced back to the glassy character of the hydration water and suggest a dynamical coupling occurring at the macromolecule-solvent interface.

Estimation of the intrinsic absorption and scattering attenuation in Northeastern Venezuela (Southeastern Caribbean) using coda waves

USGS Publications Warehouse

Ugalde, A.; Pujades, L.G.; Canas, J.A.; Villasenor, A.

1998-01-01

Northeastern Venezuela has been studied in terms of coda wave attenuation using seismograms from local earthquakes recorded by a temporary short-period seismic network. The studied area has been separated into two subregions in order to investigate lateral variations in the attenuation parameters. Coda-Q-1 (Q(c)-1) has been obtained using the single-scattering theory. The contribution of the intrinsic absorption (Q(i)-1) and scattering (Q(s)-1) to total attenuation (Q(t)-1) has been estimated by means of a multiple lapse time window method, based on the hypothesis of multiple isotropic scattering with uniform distribution of scatterers. Results show significant spatial variations of attenuation: the estimates for intermediate depth events and for shallow events present major differences. This fact may be related to different tectonic characteristics that may be due to the presence of the Lesser Antilles subduction zone, because the intermediate depth seismic zone may be coincident with the southern continuation of the subducting slab under the arc.

A biophysical study of clathrin utilizing light scattering, neutron scattering and structure based computer modeling

NASA Astrophysics Data System (ADS)

Ferguson, Matthew Lee

A principal component in the protein coats of certain post-golgi and endocytic vesicles is clathrin, which appears as a three-legged heteropolymer (known as a triskelion) that assembles into polyhedral baskets principally made up of pentagonal and hexagonal faces. In vitro, this assembly depends on the pH, with baskets forming more readily at low pH and less readily at high pH. We have developed procedures, based on static and dynamic light scattering, to determine the radius of gyration, Rg, and hydrodynamic radius, RH, of isolated triskelia under conditions where basket assembly occurs. Calculations based on rigid molecular bead models of a triskelion show that the measured values can be accounted for by bending of the legs and a puckering at the vertex. We also show that the values of Rg and R H measured for clathrin triskelia in solution are qualitatively consistent with the conformation of an individual triskelion that is part of a "D6 barrel" basket assembly measured by cryo-EM tomography. We extended this study by performing small angle neutron scattering (SANS) experiments on isolated triskelia in solution under conditions where baskets do not assemble. SANS experiments were consistent with previous static light scattering experiments but showed a shoulder in the scattering function at intermediate q-values just beyond the central diffraction peak (the Guinier regime). Theoretical calculations based on rigid bead models of a triskelion showed well-defined features in this region different from the experiment. A flexible bead-spring model of a triskelion and Brownian dynamics simulations were used to generate a time averaged scattering function. This model adequately described the experimental data for flexibilities close to previous estimates from the analysis of electron micrographs.

Duality of Weak and Strong Scatterer in Luttinger Liquid Coupled to Massless Bosons

NASA Astrophysics Data System (ADS)

Galda, Alexey; Yurkevich, Igor; Yevtushenko, Oleg; Lerner, Igor

2013-03-01

We study electronic transport in a Luttinger liquid (LL) with an embedded impurity, which is either a weak scatterer (WS) or a weak link (WL), when interacting electrons are coupled to one-dimensional massless bosons (e.g., acoustic phonons). The additional coupling competes with Coulomb interaction changing scaling exponents of various correlation functions. The impurity strength λ and the tunneling amplitude t in the WS and WL limits scale at low energies ɛ as: λ (ɛ) ~λ0ɛ Δws - 1 and t (ɛ) ~t0ɛ Δwl - 1 , correspondingly. We find that the duality relation between the scaling dimensions established for the standard LL, ΔwsΔwl = 1 , holds in the presence of the additional coupling for an arbitrary fixed strength of boson scattering from the impurity. As a result, at low temperatures the system remains either an ideal insulator or an ideal metal, regardless of the scattering strength. However, in the case when electron and boson scattering from the impurity are correlated, the system has a rich phase diagram that includes a metal-insulator transition at some intermediate values of the scattering. Leverhulme grant RPG-380, DFG through SFB TR-12, DoE Office of Science under the Contract No. DEAC02-06CH11357

Positronium formation in Ss state in e+-Li scattering

NASA Technical Reports Server (NTRS)

Sarkar, K. P.; Basu, D.; Basu, Madhumita

1990-01-01

There are ample theoretical reasons to investigate positron-alkali atom scattering. Moreover, recent measurement on positron-alkali atom system by a Detroit group has renewed much interest in investigating these processes. Positronium (Ps) formation in excited 2s state in positron-Li scattering at intermediate and high energies were studied including second order effects following Basu and Ghosh.

Coronagraphic Notch Filter for Raman Spectroscopy

NASA Technical Reports Server (NTRS)

Cohen, David; Stirbl, Robert

2004-01-01

A modified coronagraph has been proposed as a prototype of improved notch filters in Raman spectrometers. Coronagraphic notch filters could offer alternatives to both (1) the large and expensive double or triple monochromators in older Raman spectrometers and (2) holographic notch filters, which are less expensive but are subject to environmental degradation as well as to limitations of geometry and spectral range. Measurement of a Raman spectrum is an exercise in measuring and resolving faint spectral lines close to a bright peak: In Raman spectroscopy, a monochromatic beam of light (the pump beam) excites a sample of material that one seeks to analyze. The pump beam generates a small flux of scattered light at wavelengths slightly greater than that of the pump beam. The shift in wavelength of the scattered light from the pump wavelength is known in the art as the Stokes shift. Typically, the flux of scattered light is of the order of 10 7 that of the pump beam and the Stokes shift lies in the wave-number range of 100 to 3,000 cm 1. A notch filter can be used to suppress the pump-beam spectral peak while passing the nearby faint Raman spectral lines. The basic principles of design and operation of a coronagraph offer an opportunity for engineering the spectral transmittance of the optics in a Raman spectrometer. A classical coronagraph may be understood as two imaging systems placed end to end, such that the first system forms an intermediate real image of a nominally infinitely distant object and the second system forms a final real image of the intermediate real image. If the light incident on the first telescope is collimated, then the intermediate image is a point-spread function (PSF). If an appropriately tailored occulting spot (e.g., a Gaussian-apodized spot with maximum absorption on axis) is placed on the intermediate image plane, then the instrument inhibits transmission of light from an on-axis source. However, the PSFs of off-axis light sources are formed off axis - that is, away from the occulting spot - so that they become refocused onto the final image plane.

Scattering mechanisms in shallow undoped Si/SiGe quantum wells

NASA Astrophysics Data System (ADS)

Laroche, Dominique; Huang, Shih-Hsien; Nielsen, Erik; Chuang, Yen; Li, Jiun-Yun; Liu, Chih-Wen; Lu, Tzu-Ming

We report the magneto-transport and scattering mechanism analysis of a series of increasingly shallow Si/SiGe quantum wells with the shallowest 2DEG located only ~ 10 nm away from the surface. The peak mobility increases with increasing depth, suggesting that charge centers near the oxide/semiconductor interface is the main source of disorder. The power-law exponent of the mobility versus density curve, μ ~nα , is extracted as a function of the depth. At intermediate densities, the power-law dependence is characterized by α ~ 2 . 3 while at the highest achievable densities for devices with intermediate depth, an exponent α ~ 5 is observed. We propose, and show by simulations, that this increase in α is explained by a non-equilibrium model where electrons migrating to the surface smooth out the potential landscape seen by the 2DEG. This work has been supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy (DOE). Sandia National Laboratories is a multi program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL

A New Application of the Channel Packet Method for Low Energy 1-D Elastic Scattering

DTIC Science & Technology

2006-09-01

matter. On a cosmic scale, we wonder if a collision between an asteroid and Earth led to the extinction of the dinosaurs . Collisions are important...in Figure 12. In an effort to have the computation time reasonable was chosen to be for this simulation. In order to represent the intermediate...linear regions joined by the two labeled points. However, based on Figure 13 the two potential functions are reasonably close and so one would not

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

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

Strikman, Mark; Weiss, Christian

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future Electron-Ion Collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲ 100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation (IA) to the tagged DIS cross sectionmore » contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSI) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1 < x < 0.5 FSI arise predominantly from interactions of the spectator proton with slow hadrons produced in the DIS process on the neutron (rest frame momenta ≲1 GeV, target fragmentation region). We construct a schematic model describing this effect, using final-state hadron distributions measured in nucleon DIS experiments and low-energy hadron scattering amplitudes. We investigate the magnitude of FSI, their dependence on the recoil momentum (angular dependence, forward/backward regions), their analytic properties, and their effect on the on-shell extrapolation. We comment on the prospects for neutron structure extraction in tagged DIS with EIC. Finally, we discuss possible extensions of the FSI model to other kinematic regions (large/small x). In tagged DIS at x << 0.1 FSI resulting from diffractive scattering on the nucleons become important and require separate treatment.« less

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

NASA Astrophysics Data System (ADS)

Strikman, M.; Weiss, C.

2018-03-01

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future electron-ion collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation to the tagged DIS cross section contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSIs) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

DOE PAGES

Strikman, Mark; Weiss, Christian

2018-03-27

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future Electron-Ion Collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲ 100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation (IA) to the tagged DIS cross sectionmore » contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSI) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1 < x < 0.5 FSI arise predominantly from interactions of the spectator proton with slow hadrons produced in the DIS process on the neutron (rest frame momenta ≲1 GeV, target fragmentation region). We construct a schematic model describing this effect, using final-state hadron distributions measured in nucleon DIS experiments and low-energy hadron scattering amplitudes. We investigate the magnitude of FSI, their dependence on the recoil momentum (angular dependence, forward/backward regions), their analytic properties, and their effect on the on-shell extrapolation. We comment on the prospects for neutron structure extraction in tagged DIS with EIC. Finally, we discuss possible extensions of the FSI model to other kinematic regions (large/small x). In tagged DIS at x << 0.1 FSI resulting from diffractive scattering on the nucleons become important and require separate treatment.« less

Theory of intermediate- and high-field mobility in dilute nitride alloys

NASA Astrophysics Data System (ADS)

Seifikar, Masoud; O'Reilly, Eoin P.; Fahy, Stephen

2011-10-01

We have solved the steady-state Boltzmann transport equation in bulk GaAs1-xNx. Two different models of the conduction band structure have been studied to investigate the behavior of electrons with increasing electric field in these alloys: (1) carriers in parabolic Γ and L bands are scattered by resonant nitrogen substitutional defect states, polar optic and acoustic phonons, and intervalley optical phonons; (2) carriers, constrained in the lower band of the band-anticrossing (BAC) model, are scattered by phonons and by nitrogen states. We consider scattering both by isolated N atoms and also by a full distribution of N states. We find that it is necessary to include the full distribution of levels in order to account for the small low-field mobility and the absence of a negative differential velocity regime observed experimentally with increasing x. Model 2 breaks down at intermediate and high field, due to the unphysical constraint of limiting carriers to the lower BAC band. For model 1, carrier scattering into the L bands is reduced at intermediate electric fields but is comparable at high fields to that observed in GaAs, with the calculated high-field mobility and carrier distribution then also being comparable to GaAs. Overall the results account well for a wide range of experimental data.

Measurement of the Generalized Polarizabilities of the Proton in Virtual Compton Scattering at Q2=0.92 and 1.76 GeV2

NASA Astrophysics Data System (ADS)

Laveissière, G.; Todor, L.; Degrande, N.; Jaminion, S.; Jutier, C.; di Salvo, R.; van Hoorebeke, L.; Alexa, L. C.; Anderson, B. D.; Aniol, K. A.; Arundell, K.; Audit, G.; Auerbach, L.; Baker, F. T.; Baylac, M.; Berthot, J.; Bertin, P. Y.; Bertozzi, W.; Bimbot, L.; Boeglin, W. U.; Brash, E. J.; Breton, V.; Breuer, H.; Burtin, E.; Calarco, J. R.; Cardman, L. S.; Cavata, C.; Chang, C.-C.; Chen, J.-P.; Chudakov, E.; Cisbani, E.; Dale, D. S.; de Jager, C. W.; de Leo, R.; Deur, A.; D'Hose, N.; Dodge, G. E.; Domingo, J. J.; Elouadrhiri, L.; Epstein, M. B.; Ewell, L. A.; Finn, J. M.; Fissum, K. G.; Fonvieille, H.; Fournier, G.; Frois, B.; Frullani, S.; Furget, C.; Gao, H.; Gao, J.; Garibaldi, F.; Gasparian, A.; Gilad, S.; Gilman, R.; Glamazdin, A.; Glashausser, C.; Gomez, J.; Gorbenko, V.; Grenier, P.; Guichon, P. A.; Hansen, J. O.; Holmes, R.; Holtrop, M.; Howell, C.; Huber, G. M.; Hyde-Wright, C. E.; Incerti, S.; Iodice, M.; Jardillier, J.; Jones, M. K.; Kahl, W.; Kato, S.; Katramatou, A. T.; Kelly, J. J.; Kerhoas, S.; Ketikyan, A.; Khayat, M.; Kino, K.; Kox, S.; Kramer, L. H.; Kumar, K. S.; Kumbartzki, G.; Kuss, M.; Leone, A.; Lerose, J. J.; Liang, M.; Lindgren, R. A.; Liyanage, N.; Lolos, G. J.; Lourie, R. W.; Madey, R.; Maeda, K.; Malov, S.; Manley, D. M.; Marchand, C.; Marchand, D.; Margaziotis, D. J.; Markowitz, P.; Marroncle, J.; Martino, J.; McCormick, K.; McIntyre, J.; Mehrabyan, S.; Merchez, F.; Meziani, Z. E.; Michaels, R.; Miller, G. W.; Mougey, J. Y.; Nanda, S. K.; Neyret, D.; Offermann, E. A.; Papandreou, Z.; Pasquini, B.; Perdrisat, C. F.; Perrino, R.; Petratos, G. G.; Platchkov, S.; Pomatsalyuk, R.; Prout, D. L.; Punjabi, V. A.; Pussieux, T.; Quémenér, G.; Ransome, R. D.; Ravel, O.; Real, J. S.; Renard, F.; Roblin, Y.; Rowntree, D.; Rutledge, G.; Rutt, P. M.; Saha, A.; Saito, T.; Sarty, A. J.; Serdarevic, A.; Smith, T.; Smirnov, G.; Soldi, K.; Sorokin, P.; Souder, P. A.; Suleiman, R.; Templon, J. A.; Terasawa, T.; Tieulent, R.; Tomasi-Gustaffson, E.; Tsubota, H.; Ueno, H.; Ulmer, P. E.; Urciuoli, G. M.; Vanderhaeghen, M.; van de Vyver, R.; van der Meer, R. L.; Vernin, P.; Vlahovic, B.; Voskanyan, H.; Voutier, E.; Watson, J. W.; Weinstein, L. B.; Wijesooriya, K.; Wilson, R.; Wojtsekhowski, B. B.; Zainea, D. G.; Zhang, W.-M.; Zhao, J.; Zhou, Z.-L.

2004-09-01

We report a virtual Compton scattering study of the proton at low c.m. energies. We have determined the structure functions PLL-PTT/ɛ and PLT, and the electric and magnetic generalized polarizabilities (GPs) αE(Q2) and βM(Q2) at momentum transfer Q2=0.92 and 1.76 GeV2. The electric GP shows a strong falloff with Q2, and its global behavior does not follow a simple dipole form. The magnetic GP shows a rise and then a falloff; this can be interpreted as the dominance of a long-distance diamagnetic pion cloud at low Q2, compensated at higher Q2 by a paramagnetic contribution from πN intermediate states.

Born iterative reconstruction using perturbed-phase field estimates

PubMed Central

Astheimer, Jeffrey P.; Waag, Robert C.

2008-01-01

A method of image reconstruction from scattering measurements for use in ultrasonic imaging is presented. The method employs distorted-wave Born iteration but does not require using a forward-problem solver or solving large systems of equations. These calculations are avoided by limiting intermediate estimates of medium variations to smooth functions in which the propagated fields can be approximated by phase perturbations derived from variations in a geometric path along rays. The reconstruction itself is formed by a modification of the filtered-backpropagation formula that includes correction terms to account for propagation through an estimated background. Numerical studies that validate the method for parameter ranges of interest in medical applications are presented. The efficiency of this method offers the possibility of real-time imaging from scattering measurements. PMID:19062873

Development of pair distribution function analysis

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

Vondreele, R.; Billinge, S.; Kwei, G.

1996-09-01

This is the final report of a 3-year LDRD project at LANL. It has become more and more evident that structural coherence in the CuO{sub 2} planes of high-{Tc} superconducting materials over some intermediate length scale (nm range) is important to superconductivity. In recent years, the pair distribution function (PDF) analysis of powder diffraction data has been developed for extracting structural information on these length scales. This project sought to expand and develop this technique, use it to analyze neutron powder diffraction data, and apply it to problems. In particular, interest is in the area of high-{Tc} superconductors, although wemore » planned to extend the study to the closely related perovskite ferroelectric materials andother materials where the local structure affects the properties where detailed knowledge of the local and intermediate range structure is important. In addition, we planned to carry out single crystal experiments to look for diffuse scattering. This information augments the information from the PDF.« less

Dispersal of spores following a persistent random walk.

PubMed

Bicout, D J; Sache, I

2003-03-01

A model of a persistent random walk is used to describe the transport and deposition of the spore dispersal process. In this model, the spore particle flies along straight line trajectories, with constant speed v, which are interrupted by scattering, originating from interaction of spores with the field and wind variations, which randomly change its direction. To characterize the spore dispersal gradients, we have derived analytical expressions of the deposition probability epsilon (r|v) of airborne spores as a function of the distance r from the spore source in an infinite free space and in a disk of radius R with an absorbing edge that mimics an agricultural field surrounded with fields of nonhost plants and bare land. It is found in the free space that epsilon (r|v) approximately e(-alphar/l), with alpha a function of l(d)/l, where l and l(d) are the scattering and deposition mean free paths, respectively. In the disk, however, epsilon (r|v) is an infinite series of Bessel functions and, exhibits three regimes: absorbing (Rl(d)).

Minimum principles in electromagnetic scattering by small aspherical particles

NASA Astrophysics Data System (ADS)

Kostinski, Alex B.; Mongkolsittisilp, Ajaree

2013-12-01

We consider the question of optimal shapes, e.g., those causing minimal extinction among all shapes of equal volume. Guided by the isoperimetric property of a sphere, relevant in the geometrical optics limit of scattering by large particles, we examine an analogous question in the low frequency approximation, seeking to disentangle electric and geometric contributions. To that end, we survey the literature on shape functionals and focus on ellipsoids, giving a simple discussion of spherical optimality for the coated ellipsoidal particle. Monotonic increase with asphericity in the low frequency regime for orientation-averaged induced dipole moments and scattering cross-sections is also shown. Additional physical insight is obtained from the Rayleigh-Gans (transparent) limit and eccentricity expansions. We propose connecting low and high frequency regimes in a single minimum principle valid for all size parameters, provided that reasonable size distributions of randomly oriented aspherical particles wash out the resonances for intermediate size parameters. This proposal is further supported by the sum rule for integrated extinction.

Design and structure of an equilibrium protein folding intermediate: a hint into dynamical regions of proteins.

PubMed

Ayuso-Tejedor, Sara; Angarica, Vladimir Espinosa; Bueno, Marta; Campos, Luis A; Abián, Olga; Bernadó, Pau; Sancho, Javier; Jiménez, M Angeles

2010-07-23

Partly unfolded protein conformations close to the native state may play important roles in protein function and in protein misfolding. Structural analyses of such conformations which are essential for their fully physicochemical understanding are complicated by their characteristic low populations at equilibrium. We stabilize here with a single mutation the equilibrium intermediate of apoflavodoxin thermal unfolding and determine its solution structure by NMR. It consists of a large native region identical with that observed in the X-ray structure of the wild-type protein plus an unfolded region. Small-angle X-ray scattering analysis indicates that the calculated ensemble of structures is consistent with the actual degree of expansion of the intermediate. The unfolded region encompasses discontinuous sequence segments that cluster in the 3D structure of the native protein forming the FMN cofactor binding loops and the binding site of a variety of partner proteins. Analysis of the apoflavodoxin inner interfaces reveals that those becoming destabilized in the intermediate are more polar than other inner interfaces of the protein. Natively folded proteins contain hydrophobic cores formed by the packing of hydrophobic surfaces, while natively unfolded proteins are rich in polar residues. The structure of the apoflavodoxin thermal intermediate suggests that the regions of natively folded proteins that are easily responsive to thermal activation may contain cores of intermediate hydrophobicity. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Compactness and robustness: Applications in the solution of integral equations for chemical kinetics and electromagnetic scattering

NASA Astrophysics Data System (ADS)

Zhou, Yajun

This thesis employs the topological concept of compactness to deduce robust solutions to two integral equations arising from chemistry and physics: the inverse Laplace problem in chemical kinetics and the vector wave scattering problem in dielectric optics. The inverse Laplace problem occurs in the quantitative understanding of biological processes that exhibit complex kinetic behavior: different subpopulations of transition events from the "reactant" state to the "product" state follow distinct reaction rate constants, which results in a weighted superposition of exponential decay modes. Reconstruction of the rate constant distribution from kinetic data is often critical for mechanistic understandings of chemical reactions related to biological macromolecules. We devise a "phase function approach" to recover the probability distribution of rate constants from decay data in the time domain. The robustness (numerical stability) of this reconstruction algorithm builds upon the continuity of the transformations connecting the relevant function spaces that are compact metric spaces. The robust "phase function approach" not only is useful for the analysis of heterogeneous subpopulations of exponential decays within a single transition step, but also is generalizable to the kinetic analysis of complex chemical reactions that involve multiple intermediate steps. A quantitative characterization of the light scattering is central to many meteoro-logical, optical, and medical applications. We give a rigorous treatment to electromagnetic scattering on arbitrarily shaped dielectric media via the Born equation: an integral equation with a strongly singular convolution kernel that corresponds to a non-compact Green operator. By constructing a quadratic polynomial of the Green operator that cancels out the kernel singularity and satisfies the compactness criterion, we reveal the universality of a real resonance mode in dielectric optics. Meanwhile, exploiting the properties of compact operators, we outline the geometric and physical conditions that guarantee a robust solution to the light scattering problem, and devise an asymptotic solution to the Born equation of electromagnetic scattering for arbitrarily shaped dielectric in a non-perturbative manner.

Levitation effect: Distinguishing anomalous from linear regime of guests sorbed in zeolites through the decay of intermediate scattering function and wavevector dependence of self-diffusivity.

PubMed

Ghorai, Pradip Kr; Yashonath, S

2005-03-10

Previous work investigating the dependence of self-diffusivity, D, on the size of the guest diffusing within the porous solid such as zeolite has reported the existence of an anomalous maximum in the diffusion coefficient (J. Phys. Chem. 1994, 98, 6368). Two distinct regimes of dependence of D on sigma(gg), diameter of the guest were reported. D proportional to 1/sigma(gg)2, often referred to as linear regime (LR), is found when sigma(gg) is smaller than sigma(v), the diameter of the void. A maximum in D has been observed when sigma(gg) is comparable to sigma(v) and this regime is referred to as anomalous regime (AR). Here we report the intermediate scattering function for a particle from LR and AR in zeolite faujasite. A particle from LR exhibits a biexponential decay while a particle from AR exhibits a single-exponential decay at small k. Variation with k of the full width at half-maximum of the self-part of the dynamic structure factor is nonmonotonic for a particle in the linear regime. In contrast, this variation is monotonic for a particle in the anomalous regime. These results can be understood in terms of the existence of energetic barrier at the bottleneck, the 12-ring window, in the path of diffusion. They provide additional signatures for the linear regime and anomalous regimes and therefore for levitation effect (LE).

Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Dubey, Rajendra R.

1993-01-01

Charge-exchange reactions for scattering to the continuum are considered in a high-energy multiple scattering model. Calculations for (p,n) and (He-3,H-3) reactions are made and compared with experimental results for C-12, O-16, and Al-27 targets. Coherent effects are shown to lead to an important role for inelastic multiple scattering terms when light projectiles are considered.

A Gaussian theory for fluctuations in simple liquids.

PubMed

Krüger, Matthias; Dean, David S

2017-04-07

Assuming an effective quadratic Hamiltonian, we derive an approximate, linear stochastic equation of motion for the density-fluctuations in liquids, composed of overdamped Brownian particles. From this approach, time dependent two point correlation functions (such as the intermediate scattering function) are derived. We show that this correlation function is exact at short times, for any interaction and, in particular, for arbitrary external potentials so that it applies to confined systems. Furthermore, we discuss the relation of this approach to previous ones, such as dynamical density functional theory as well as the formally exact treatment. This approach, inspired by the well known Landau-Ginzburg Hamiltonians, and the corresponding "Model B" equation of motion, may be seen as its microscopic version, containing information about the details on the particle level.

Hydrodynamic correlation functions of hard-sphere fluids at short times

NASA Astrophysics Data System (ADS)

Leegwater, Jan A.; van Beijeren, Henk

1989-11-01

The short-time behavior of the coherent intermediate scattering function for a fluid of hard-sphere particles is calculated exactly through order t 4, and the other hydrodynamic correlation functions are calculated exactly through order t 2. It is shown that for all of the correlation functions considered the Enskog theory gives a fair approximation. Also, the initial time behavior of various Green-Kubo integrands is studied. For the shear-viscosity integrand it is found that at density nσ3=0.837 the prediction of the Enskog theory is 32% too low. The initial value of the bulk viscosity integrand is nonzero, in contrast to the Enskog result. The initial value of the thermal conductivity integrand at high densities is predicted well by Enskog theory.

A Gaussian theory for fluctuations in simple liquids

NASA Astrophysics Data System (ADS)

Krüger, Matthias; Dean, David S.

2017-04-01

Assuming an effective quadratic Hamiltonian, we derive an approximate, linear stochastic equation of motion for the density-fluctuations in liquids, composed of overdamped Brownian particles. From this approach, time dependent two point correlation functions (such as the intermediate scattering function) are derived. We show that this correlation function is exact at short times, for any interaction and, in particular, for arbitrary external potentials so that it applies to confined systems. Furthermore, we discuss the relation of this approach to previous ones, such as dynamical density functional theory as well as the formally exact treatment. This approach, inspired by the well known Landau-Ginzburg Hamiltonians, and the corresponding "Model B" equation of motion, may be seen as its microscopic version, containing information about the details on the particle level.

The Near-Infrared Ca II Triplet-σ Relation for Bulges of Spiral Galaxies

NASA Astrophysics Data System (ADS)

Falcón-Barroso, Jesús; Peletier, Reynier F.; Vazdekis, Alexandre; Balcells, Marc

2003-05-01

We present measurements of the near-infrared Ca II triplet (CaT, CaT*), Paschen (PaT), and magnesium (Mg I) indices for a well-studied sample of 19 bulges of early to intermediate spiral galaxies. We find that both the CaT* and CaT indices decrease with central velocity dispersion σ with small scatter. This dependence is similar to that recently found by Cenarro for elliptical galaxies, implying a uniform CaT*-σ relation that applies to galaxies from ellipticals to intermediate-type spirals. The decrease of CaT and CaT* with σ contrasts with the well-known increase of another α-element index, Mg2, with σ. We discuss the role of Ca underabundance ([Ca/Fe]<0) and initial mass function variations in the onset of the observed relations.

Observations of the Ca/+/ twilight airglow from intermediate layers of ionization

NASA Technical Reports Server (NTRS)

Tepley, C. A.; Meriwether, J. W., Jr.; Walker, J. C. G.; Mathews, J. D.

1981-01-01

Optical and incoherent scatter radar techniques are applied to detect the presence of Ca(+) in lower thermospheric intermediate layers over Arecibo. The Arecibo 430 MHz radar is used to measure electron densities, and the altitude distribution and density of the calcium ion is inferred from the variation of twilight resonant scattering with solar depression angle. Ca(+) and electron column densities are compared, and results indicate that the composition of low-altitude intermediate layers is 2% Ca(+), which is consistent with rocket mass spectrometer measurements. Fe(+) and Mg(+) ultraviolet resonance lines are not detected from the ground due to ozone absorbing all radiation short of 3000 A, and measurements of the neutral iron resonance line at 3860 A show that an atmospheric continuum may result in overestimations of emission rates at high solar depression angles.

Diffraction of electrons at intermediate energies

NASA Astrophysics Data System (ADS)

Ascolani, H.; Barrachina, R. O.; Guraya, M. M.; Zampieri, G.

1992-08-01

We present a theory of the elastic scattering of electrons from crystalline surfaces that contains both low-energy-electron-diffraction (LEED) effects at low energies and x-ray-photoelectron- and Auger-electron-diffraction (XPD/AED) effects at intermediate energies. The theory is based on a cluster-type approach to the scattering problem and includes temperature effects. The transition from one regime to the other may be explained as follows: At low energies all the scattered waves add coherently, and the intensity is dominated by LEED effects. At intermediate energies the thermal vibration of the atoms destroys the long-range coherency responsible for the LEED peaks, but affects little the interference of those waves that share parts of their paths inside the solid. Thus, the interference of these waves comes to dominate the intensity, giving rise to structures similar to those observed in XPD/AED experiments. We perform a calculation of the elastic reflection of electrons from Cu(001) that is in good agreement with the experiment in the range 200-1500 eV. At low energies the intensity is dominated by LEED peaks; at 400 eV LEED peaks and XPD/AED structures coexist; and above this energy the intensity is dominated by the latter. We analyze the contributions to the intensity at intermediate energies of the interferences in the incoming and outgoing parts of the electron path.

Dispersive analysis of the scalar form factor of the nucleon

NASA Astrophysics Data System (ADS)

Hoferichter, M.; Ditsche, C.; Kubis, B.; Meißner, U.-G.

2012-06-01

Based on the recently proposed Roy-Steiner equations for pion-nucleon ( πN) scattering [1], we derive a system of coupled integral equations for the π π to overline N N and overline K K to overline N N S-waves. These equations take the form of a two-channel Muskhelishvili-Omnès problem, whose solution in the presence of a finite matching point is discussed. We use these results to update the dispersive analysis of the scalar form factor of the nucleon fully including overline K K intermediate states. In particular, we determine the correction {Δ_{σ }} = σ ( {2M_{π }^2} ) - {σ_{{π N}}} , which is needed for the extraction of the pion-nucleon σ term from πN scattering, as a function of pion-nucleon subthreshold parameters and the πN coupling constant.

Measurement of the generalized polarizabilities of the proton in virtual Compton scattering at Q2=0.92 and 1.76 GeV2.

PubMed

Laveissière, G; Todor, L; Degrande, N; Jaminion, S; Jutier, C; Di Salvo, R; Van Hoorebeke, L; Alexa, L C; Anderson, B D; Aniol, K A; Arundell, K; Audit, G; Auerbach, L; Baker, F T; Baylac, M; Berthot, J; Bertin, P Y; Bertozzi, W; Bimbot, L; Boeglin, W U; Brash, E J; Breton, V; Breuer, H; Burtin, E; Calarco, J R; Cardman, L S; Cavata, C; Chang, C-C; Chen, J-P; Chudakov, E; Cisbani, E; Dale, D S; de Jager, C W; De Leo, R; Deur, A; d'Hose, N; Dodge, G E; Domingo, J J; Elouadrhiri, L; Epstein, M B; Ewell, L A; Finn, J M; Fissum, K G; Fonvieille, H; Fournier, G; Frois, B; Frullani, S; Furget, C; Gao, H; Gao, J; Garibaldi, F; Gasparian, A; Gilad, S; Gilman, R; Glamazdin, A; Glashausser, C; Gomez, J; Gorbenko, V; Grenier, P; Guichon, P A M; Hansen, J O; Holmes, R; Holtrop, M; Howell, C; Huber, G M; Hyde-Wright, C E; Incerti, S; Iodice, M; Jardillier, J; Jones, M K; Kahl, W; Kato, S; Katramatou, A T; Kelly, J J; Kerhoas, S; Ketikyan, A; Khayat, M; Kino, K; Kox, S; Kramer, L H; Kumar, K S; Kumbartzki, G; Kuss, M; Leone, A; LeRose, J J; Liang, M; Lindgren, R A; Liyanage, N; Lolos, G J; Lourie, R W; Madey, R; Maeda, K; Malov, S; Manley, D M; Marchand, C; Marchand, D; Margaziotis, D J; Markowitz, P; Marroncle, J; Martino, J; McCormick, K; McIntyre, J; Mehrabyan, S; Merchez, F; Meziani, Z E; Michaels, R; Miller, G W; Mougey, J Y; Nanda, S K; Neyret, D; Offermann, E A J M; Papandreou, Z; Pasquini, B; Perdrisat, C F; Perrino, R; Petratos, G G; Platchkov, S; Pomatsalyuk, R; Prout, D L; Punjabi, V A; Pussieux, T; Quémenér, G; Ransome, R D; Ravel, O; Real, J S; Renard, F; Roblin, Y; Rowntree, D; Rutledge, G; Rutt, P M; Saha, A; Saito, T; Sarty, A J; Serdarevic, A; Smith, T; Smirnov, G; Soldi, K; Sorokin, P; Souder, P A; Suleiman, R; Templon, J A; Terasawa, T; Tieulent, R; Tomasi-Gustaffson, E; Tsubota, H; Ueno, H; Ulmer, P E; Urciuoli, G M; Vanderhaeghen, M; Van De Vyver, R; Van der Meer, R L J; Vernin, P; Vlahovic, B; Voskanyan, H; Voutier, E; Watson, J W; Weinstein, L B; Wijesooriya, K; Wilson, R; Wojtsekhowski, B B; Zainea, D G; Zhang, W-M; Zhao, J; Zhou, Z-L

2004-09-17

We report a virtual Compton scattering study of the proton at low c.m. energies. We have determined the structure functions P(LL)-P(TT)/epsilon and P(LT), and the electric and magnetic generalized polarizabilities (GPs) alpha(E)(Q2) and beta(M)(Q2) at momentum transfer Q(2)=0.92 and 1.76 GeV2. The electric GP shows a strong falloff with Q2, and its global behavior does not follow a simple dipole form. The magnetic GP shows a rise and then a falloff; this can be interpreted as the dominance of a long-distance diamagnetic pion cloud at low Q2, compensated at higher Q2 by a paramagnetic contribution from piN intermediate states.

Spin excitations in the deformed nuclei 154Sm, 158Gd and 168Er

NASA Astrophysics Data System (ADS)

Frekers, D.; Wörtche, H. J.; Richter, A.; Abegg, R.; Azuma, R. E.; Celler, A.; Chan, C.; Drake, T. E.; Helmer, R.; Jackson, K. P.; King, J. D.; Miller, C. A.; Schubank, R.; Vetterli, M. C.; Yen, S.

1990-07-01

An intermediate energy proton scattering experiment has been performed to probe spin excitation in the deformed rare earth nuclei 154Sm, 158Gd and 168Er for energies up to 12 MeV. A concentration of spin M1 strength is observed between 6 and 10MeV with a total strength of about 11 μN2 independent of the nucleus. The strength function shows two distinct structures separated by about 2.5 MeV and each having a width of about 2 MeV.

Lifetime enhancement for multiphoton absorption in intermediate band solar cells

NASA Astrophysics Data System (ADS)

Bezerra, Anibal T.; Studart, Nelson

2017-08-01

A semiconductor structure consisting of two coupled quantum wells embedded into the intrinsic region of a p-i-n junction is proposed as an intermediate band solar cell with a photon ratchet state, which would lead to increasing the cell efficiency. The conduction subband of the right-hand side quantum well works as the intermediated band, whereas the excited conduction subband of the left-hand side quantum well operates as the ratchet state. The photoelectrons in the intermediate band are scattered through the thin wells barrier and accumulated into the ratchet subband. A rate equation model for describing the charge transport properties is presented. The efficiency of the current generation is analyzed by studying the occupation of the wells subbands, taking into account the charge dynamic behavior provided by the electrical contacts connected to the cell. The current generation efficiency depends essentially from the relations between the generation, recombination rates and the scattering rate to the ratchet state. The inclusion of the ratchet states led to both an increase and a decrease in the cell current depending on the transition rates. This suggests that the coupling between the intermediate band and the ratchet state is a key point in developing an efficient solar cell.

Theory of raman scattering from molecules adsorbed at semiconductor surfaces

NASA Astrophysics Data System (ADS)

Ueba, H.

1983-09-01

A theory is presented to calculate the Raman polarizability of an adsorbed molecule at a semiconductor surface, where the electronic excitation in the molecular site interacts with excitons (elementary excitations in the semiconductor) through non-radiative energy transfer between them, in an intermediate state in the Raman scattering process. The Raman polarizability thus calculated is found to exhibit a peak at the energy corresponding to a resonant excitation of excitons, thereby suggesting the possibility of surface enhanced Raman scattering on semiconductor surfaces. The mechanism studied here can also give an explanation of a recent observation of the Raman excitation profiles of p-NDMA and p-DMAAB adsorbed on ZnO or TiO 2, where those profiles were best described by assuming a resonant intermediate state of the exciton transition in the semiconductors. It is also demonstrated that in addition to vibrational Raman scattering, excitonic Raman scattering of adsorbed molecules will occur in the coupled molecule-semiconductor system, where the molecular returns to its ground electronic state by leaving an exciton in the semiconductor. A spectrum of the excitonic Raman scattering is expected to appear in the background of the vibrational Raman band and to be characterized by the electronic structure of excitons. A desirable experiment is suggested for an examination of the theory.

The van Hove distribution function for Brownian hard spheres: Dynamical test particle theory and computer simulations for bulk dynamics

NASA Astrophysics Data System (ADS)

Hopkins, Paul; Fortini, Andrea; Archer, Andrew J.; Schmidt, Matthias

2010-12-01

We describe a test particle approach based on dynamical density functional theory (DDFT) for studying the correlated time evolution of the particles that constitute a fluid. Our theory provides a means of calculating the van Hove distribution function by treating its self and distinct parts as the two components of a binary fluid mixture, with the "self " component having only one particle, the "distinct" component consisting of all the other particles, and using DDFT to calculate the time evolution of the density profiles for the two components. We apply this approach to a bulk fluid of Brownian hard spheres and compare to results for the van Hove function and the intermediate scattering function from Brownian dynamics computer simulations. We find good agreement at low and intermediate densities using the very simple Ramakrishnan-Yussouff [Phys. Rev. B 19, 2775 (1979)] approximation for the excess free energy functional. Since the DDFT is based on the equilibrium Helmholtz free energy functional, we can probe a free energy landscape that underlies the dynamics. Within the mean-field approximation we find that as the particle density increases, this landscape develops a minimum, while an exact treatment of a model confined situation shows that for an ergodic fluid this landscape should be monotonic. We discuss possible implications for slow, glassy, and arrested dynamics at high densities.

Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

NASA Astrophysics Data System (ADS)

Zhang, Yang; Tyagi, Madhusudan; Mamontov, Eugene; Chen, Sow-Hsin

2012-02-01

Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χT(Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement langx2rang and the non-Gaussian parameter α2 extracted from the elastic scattering.

Quasi-Elastic Neutron Scattering Studies of the Slow Dynamics of Supercooled and Glassy Aspirin

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

Zhang, Yang; Tyagi, M.; Mamontov, Eugene

Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 K down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent (Q) is independent of the wave vector transfer Q in the measured Q-range, and (ii) the structuralmore » relaxation time (Q) follows a power law dependence on Q. Consequently, the Q-independent structural relaxation time 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of 0 can be fitted with the mode coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by M. Tokuyama in the measured temperature range. The calculated dynamic response function T(Q,t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows a direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement x2 and non-Gaussian parameter 2 extracted from the elastic scattering.« less

Emission of neutron–proton and proton–proton pairs in neutrino scattering

DOE PAGES

Ruiz Simo, I.; Amaro, J. E.; Barbaro, M. B.; ...

2016-11-10

For this paper, we use a recently developed model of relativistic meson-exchange currents to compute the neutron–proton and proton–proton yields in (νμ, μ -)scattering from 12C in the 2p–2h channel. We compute the response functions and cross sections with the relativistic Fermi gas model for different kinematics from intermediate to high momentum transfers. We find a large contribution of neutron–proton configurations in the initial state, as compared to proton–proton pairs. In the case of charge-changing neutrino scattering the 2p–2h cross section of proton–proton emission (i.e.,np in the initial state) is much larger than for neutron–proton emission (i.e.,two neutrons in themore » initial state) by a (ω, q)-dependent factor. The different emission probabilities of distinct species of nucleon pairs are produced in our model only by meson-exchange currents, mainly by the Δ isobar current. We also analyze other effects including exchange contributions and the effect of the axial and vector currents.« less

Controlling the intermediate structure of an ionic liquid for f-block element separations

DOE PAGES

Abney, Carter W.; Do, Changwoo; Luo, Huimin; ...

2017-04-19

Recent research has revealed molecular structure beyond the inner coordination sphere is essential in defining the performance of separations processes, but nevertheless remains largely unexplored. Here we apply small angle neutron scattering (SANS) and x-ray absorption fine structure (XAFS) spectroscopy to investigate the structure of an ionic liquid system studied for f-block element separations. SANS data reveal dramatic changes in the ionic liquid microstructure (~150 Å) which we demonstrate can be controlled by judicious selection of counter ion. Mesoscale structural features (> 500 Å) are also observed as a function of metal concentration. XAFS analysis supports formation of extended aggregatemore » structures, similar to those observed in traditional solvent extraction processes, and suggest additional parallels may be drawn from further study. As a result, achieving precise tunability over the intermediate features is an important development in controlling mesoscale structure and realizing advanced new forms of soft matter.« less

Theoretical survey on positronium formation and ionisation in positron atom scattering

NASA Technical Reports Server (NTRS)

Basu, Madhumita; Ghosh, A. S.

1990-01-01

The recent theoretical studies are surveyed and reported on the formation of exotic atoms in positron-hydrogen, positron-helium and positron-lithium scattering specially at intermediate energy region. The ionizations of these targets by positron impact was also considered. Theoretical predictions for both the processes are compared with existing measured values.

Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation

PubMed Central

Nasedkin, Alexandr; Marcellini, Moreno; Religa, Tomasz L.; Freund, Stefan M.; Menzel, Andreas; Fersht, Alan R.; Jemth, Per; van der Spoel, David; Davidsson, Jan

2015-01-01

The folding and unfolding of protein domains is an apparently cooperative process, but transient intermediates have been detected in some cases. Such (un)folding intermediates are challenging to investigate structurally as they are typically not long-lived and their role in the (un)folding reaction has often been questioned. One of the most well studied (un)folding pathways is that of Drosophila melanogaster Engrailed homeodomain (EnHD): this 61-residue protein forms a three helix bundle in the native state and folds via a helical intermediate. Here we used molecular dynamics simulations to derive sample conformations of EnHD in the native, intermediate, and unfolded states and selected the relevant structural clusters by comparing to small/wide angle X-ray scattering data at four different temperatures. The results are corroborated using residual dipolar couplings determined by NMR spectroscopy. Our results agree well with the previously proposed (un)folding pathway. However, they also suggest that the fully unfolded state is present at a low fraction throughout the investigated temperature interval, and that the (un)folding intermediate is highly populated at the thermal midpoint in line with the view that this intermediate can be regarded to be the denatured state under physiological conditions. Further, the combination of ensemble structural techniques with MD allows for determination of structures and populations of multiple interconverting structures in solution. PMID:25946337

Deconvoluting Protein (Un)folding Structural Ensembles Using X-Ray Scattering, Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulation.

PubMed

Nasedkin, Alexandr; Marcellini, Moreno; Religa, Tomasz L; Freund, Stefan M; Menzel, Andreas; Fersht, Alan R; Jemth, Per; van der Spoel, David; Davidsson, Jan

2015-01-01

The folding and unfolding of protein domains is an apparently cooperative process, but transient intermediates have been detected in some cases. Such (un)folding intermediates are challenging to investigate structurally as they are typically not long-lived and their role in the (un)folding reaction has often been questioned. One of the most well studied (un)folding pathways is that of Drosophila melanogaster Engrailed homeodomain (EnHD): this 61-residue protein forms a three helix bundle in the native state and folds via a helical intermediate. Here we used molecular dynamics simulations to derive sample conformations of EnHD in the native, intermediate, and unfolded states and selected the relevant structural clusters by comparing to small/wide angle X-ray scattering data at four different temperatures. The results are corroborated using residual dipolar couplings determined by NMR spectroscopy. Our results agree well with the previously proposed (un)folding pathway. However, they also suggest that the fully unfolded state is present at a low fraction throughout the investigated temperature interval, and that the (un)folding intermediate is highly populated at the thermal midpoint in line with the view that this intermediate can be regarded to be the denatured state under physiological conditions. Further, the combination of ensemble structural techniques with MD allows for determination of structures and populations of multiple interconverting structures in solution.

System for characterizing semiconductor materials and photovoltaic device

DOEpatents

Sopori, B.L.

1996-12-03

Apparatus for detecting and mapping defects in the surfaces of polycrystalline material in a manner that distinguishes dislocation pits from grain boundaries includes a first laser of a first wavelength for illuminating a wide spot on the surface of the material, a second laser of a second relatively shorter wavelength for illuminating a relatively narrower spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate raster mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities. A reflectance measurement of the piece of material is obtained by adding together the signals from the optical detection devices. In the case where the piece of material includes a photovoltaic device, the current induced in the device by the illuminating light can be measured with a current sensing amplifier after the light integrating sphere is moved away from the device. 22 figs.

System for characterizing semiconductor materials and photovoltaic device

DOEpatents

Sopori, Bhushan L.

1996-01-01

Apparatus for detecting and mapping defects in the surfaces of polycrystalline material in a manner that distinguishes dislocation pits from grain boundaries includes a first laser of a first wavelength for illuminating a wide spot on the surface of the material, a second laser of a second relatively shorter wavelength for illuminating a relatively narrower spot on the surface of the material, a light integrating sphere with apertures for capturing light scattered by etched dislocation pits in an intermediate range away from specular reflection while allowing light scattered by etched grain boundaries in a near range from specular reflection to pass through, and optical detection devices for detecting and measuring intensities of the respective intermediate scattered light and near specular scattered light. A center blocking aperture or filter can be used to screen out specular reflected light, which would be reflected by nondefect portions of the polycrystalline material surface. An X-Y translation stage for mounting the polycrystalline material and signal processing and computer equipment accommodate raster mapping, recording, and displaying of respective dislocation and grain boundary defect densities. A special etch procedure is included, which prepares the polycrystalline material surface to produce distinguishable intermediate and near specular light scattering in patterns that have statistical relevance to the dislocation and grain boundary defect densities. A reflectance measurement of the piece of material is obtained by adding together the signals from the optical detection devices. In the case where the piece of material includes a photovoltaic device, the current induced in the device by the illuminating light can be measured with a current sensing amplifier after the light integrating sphere is moved away from the device.

Real-Time UV-Visible Spectroscopy Analysis of Purple Membrane-Polyacrylamide Film Formation Taking into Account Fano Line Shapes and Scattering

PubMed Central

Gomariz, María; Blaya, Salvador; Acebal, Pablo; Carretero, Luis

2014-01-01

We theoretically and experimentally analyze the formation of thick Purple Membrane (PM) polyacrylamide (PA) films by means of optical spectroscopy by considering the absorption of bacteriorhodopsin and scattering. We have applied semiclassical quantum mechanical techniques for the calculation of absorption spectra by taking into account the Fano effects on the ground state of bacteriorhodopsin. A model of the formation of PM-polyacrylamide films has been proposed based on the growth of polymeric chains around purple membrane. Experimentally, the temporal evolution of the polymerization process of acrylamide has been studied as function of the pH solution, obtaining a good correspondence to the proposed model. Thus, due to the formation of intermediate bacteriorhodopsin-doped nanogel, by controlling the polymerization process, an alternative methodology for the synthesis of bacteriorhodopsin-doped nanogels can be provided. PMID:25329473

Real-time UV-visible spectroscopy analysis of purple membrane-polyacrylamide film formation taking into account Fano line shapes and scattering.

PubMed

Gomariz, María; Blaya, Salvador; Acebal, Pablo; Carretero, Luis

2014-01-01

We theoretically and experimentally analyze the formation of thick Purple Membrane (PM) polyacrylamide (PA) films by means of optical spectroscopy by considering the absorption of bacteriorhodopsin and scattering. We have applied semiclassical quantum mechanical techniques for the calculation of absorption spectra by taking into account the Fano effects on the ground state of bacteriorhodopsin. A model of the formation of PM-polyacrylamide films has been proposed based on the growth of polymeric chains around purple membrane. Experimentally, the temporal evolution of the polymerization process of acrylamide has been studied as function of the pH solution, obtaining a good correspondence to the proposed model. Thus, due to the formation of intermediate bacteriorhodopsin-doped nanogel, by controlling the polymerization process, an alternative methodology for the synthesis of bacteriorhodopsin-doped nanogels can be provided.

Characterization of folding intermediates during urea-induced denaturation of human carbonic anhydrase II.

PubMed

Wahiduzzaman; Dar, Mohammad Aasif; Haque, Md Anzarul; Idrees, Danish; Hassan, Md Imtaiyaz; Islam, Asimul; Ahmad, Faizan

2017-02-01

Knowledge of folding/unfolding pathway is fundamental basis to study protein structure and stability. Human carbonic anhydrase II (HCAII) is a ∼29kDa, β-sheet dominated monomeric protein of 259 amino acid residues. In the present study, the urea-induced denaturation of HCAII was carried out which was a tri-phasic process, i.e., N (native) ↔ X I ↔ X II ↔ D (denatured) with stable intermediates X I and X II populated around 2 and 4M urea, respectively. The far-UV CD was used to characterize the intermediate states (X I and X II ) for secondary structural content, near-UV CD for tertiary structure, dynamic light scattering for hydrodynamic radius and ANS fluorescence spectroscopy for the presence of exposed hydrophobic patches. Based on these experiments, we concluded that urea-induced X I state has characteristics of molten globule state while X II state bears characteristics features of pre-molten globule state. Characterization of the intermediates on the folding pathway will contribute to a deeper understanding of the structure-function relationship of HCAII. Furthermore, this system may provide an excellent model to study urea stress and the strategies adopted by the organisms to combat such a stress. Copyright © 2016 Elsevier B.V. All rights reserved.

Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr xBa 2-xSiO 4:Eu 2+ Orthosilicate Phosphors

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

Denault, Kristin A.; Brgoch, Jakoah; Gaultois, Michael W.

The orthosilicate phosphors Sr xBa 2–xSiO 4:Eu 2+ have now been known for over four decades and have found extensive recent use in solid-state white lighting. It is well-recognized in the literature and in practice that intermediate compositions in the solid-solutions between the orthosilicates Sr 2SiO 4 and Ba 2SiO 4 yield the best phosphor hosts when the thermal stability of luminescence is considered. We employ a combination of synchrotron X-ray diffraction, total scattering measurements, density functional theory calculations, and low-temperature heat capacity measurements, in conjunction with detailed temperature- and time-resolved studies of luminescence properties to understand the origins ofmore » the improved luminescence properties. We observe that in the intermediate compositions, the two cation sites in the crystal structure are optimally bonded as determined from bond valence sum calculations. Optimal bonding results in a more rigid lattice, as established by the intermediate compositions possessing the highest Debye temperature, which are determined experimentally from low-temperature heat capacity measurements. Greater rigidity in turn results in the highest luminescence efficiency for intermediate compositions at elevated temperatures.« less

INS studies of Cobalt-Copper Catalyst for the Conversion of Syngas to Higher Oxygenates

NASA Astrophysics Data System (ADS)

Sprunger, Phillip; Wang, Zi; Patterson, Matthew; Kurtz, Richard; Spivey, James

Cobalt-copper catalysts have been proposed for the synthesis of ethanol and higher oxygenates as a substitute of Rh and other high-cost noble metal catalysts. Two types of sites with atomic proximity are needed to form higher oxygenates: one to dissociate CO and a second to insert CO to the intermediates to form the CHxCO intermediate. Metallic cobalt is responsible for CO dissociation, while the nature of the site for CO insertion is still under study. We have utilized inelastic neutron scattering (INS) at the VISION beamline at SNS to probe intermediate surface species of this cobalt-copper catalyst. This unique technique allows for elucidation of mechanistic details of the CO insertion and subsequent CHxCO intermediate formation on the metal surfaces (Co0, Co2C and/or Cu0) . In addition to XRD and EXAFS which show a unique surface Co-C carbide formation, a combination of both INS and computational modeling indicate that the active site for CHxCO intermediates. Sponsored through the Louisiana Consortium for Neutron Scattering, DOE No. DE-SC0012432 with additional support from the LA BOR; also ORNL's Spallation Neutron Source (VISION Beamline), DOE-BES under Contract No. DE-AC0500OR22725.

Cross sections for electron scattering by carbon disulfide in the low- and intermediate-energy range

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

Brescansin, L. M.; Iga, I.; Lee, M.-T.

2010-01-15

In this work, we report a theoretical study on e{sup -}-CS{sub 2} collisions in the low- and intermediate-energy ranges. Elastic differential, integral, and momentum-transfer cross sections, as well as grand total (elastic + inelastic) and absorption cross sections, are reported in the 1-1000 eV range. A recently proposed complex optical potential composed of static, exchange, and correlation-polarization plus absorption contributions is used to describe the electron-molecule interaction. The Schwinger variational iterative method combined with the distorted-wave approximation is applied to calculate the scattering amplitudes. The comparison between our calculated results and the existing experimental and/or theoretical results is encouraging.

Hard-sphere-like dynamics in highly concentrated alpha-crystallin suspensions

DOE PAGES

Vodnala, Preeti; Karunaratne, Nuwan; Lurio, Laurence; ...

2018-02-02

The dynamics of concentrated suspensions of the eye-lens protein alpha crystallin have been measured using x-ray photon correlation spectroscopy. Measurements were made at wave vectors corresponding to the first peak in the hard-sphere structure factor and volume fractions close to the critical volume fraction for the glass transition. Langevin dynamics simulations were also performed in parallel to the experiments. The intermediate scattering function f(q,τ) could be fit using a stretched exponential decay for both experiments and numerical simulations. The measured relaxation times show good agreement with simulations for polydisperse hard-sphere colloids.

Hard-sphere-like dynamics in highly concentrated alpha-crystallin suspensions

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

Vodnala, Preeti; Karunaratne, Nuwan; Lurio, Laurence

The dynamics of concentrated suspensions of the eye-lens protein alpha crystallin have been measured using x-ray photon correlation spectroscopy. Measurements were made at wave vectors corresponding to the first peak in the hard-sphere structure factor and volume fractions close to the critical volume fraction for the glass transition. Langevin dynamics simulations were also performed in parallel to the experiments. The intermediate scattering function f(q,τ) could be fit using a stretched exponential decay for both experiments and numerical simulations. The measured relaxation times show good agreement with simulations for polydisperse hard-sphere colloids.

Hard-sphere-like dynamics in highly concentrated alpha-crystallin suspensions

NASA Astrophysics Data System (ADS)

Vodnala, Preeti; Karunaratne, Nuwan; Lurio, Laurence; Thurston, George M.; Vega, Michael; Gaillard, Elizabeth; Narayanan, Suresh; Sandy, Alec; Zhang, Qingteng; Dufresne, Eric M.; Foffi, Giuseppe; Grybos, Pawel; Kmon, Piotr; Maj, Piotr; Szczygiel, Robert

2018-02-01

The dynamics of concentrated suspensions of the eye-lens protein alpha crystallin have been measured using x-ray photon correlation spectroscopy. Measurements were made at wave vectors corresponding to the first peak in the hard-sphere structure factor and volume fractions close to the critical volume fraction for the glass transition. Langevin dynamics simulations were also performed in parallel to the experiments. The intermediate scattering function f (q ,τ ) could be fit using a stretched exponential decay for both experiments and numerical simulations. The measured relaxation times show good agreement with simulations for polydisperse hard-sphere colloids.

Structural Evolution of Iron Antimonides from Amorphous Precursors to Crystalline Products Studied by Total Scattering Techniques.

PubMed

Bauers, Sage R; Wood, Suzannah R; Jensen, Kirsten M Ø; Blichfeld, Anders B; Iversen, Bo B; Billinge, Simon J L; Johnson, David C

2015-08-05

Homogeneous reaction precursors may be used to form several solid-state compounds inaccessible by traditional synthetic routes, but there has been little development of techniques that allow for a priori prediction of what may crystallize in a given material system. Here, the local structures of FeSbx designed precursors are determined and compared with the structural motifs of their crystalline products. X-ray total scattering and atomic pair distribution function (PDF) analysis are used to show that precursors that first nucleate a metastable FeSb3 compound share similar local structure to the product. Interestingly, precursors that directly crystallize to thermodynamically stable FeSb2 products also contain local structural motifs of the metastable phase, despite their compositional disagreement. While both crystalline phases consist of distorted FeSb6 octahedra with Sb shared between either two or three octahedra as required for stoichiometry, a corner-sharing arrangement indicative of AX3-type structures is the only motif apparent in the PDF of either precursor. Prior speculation was that local composition controlled which compounds nucleate from amorphous intermediates, with different compositions favoring different local arrangements and hence different products. This data suggests that local environments in these amorphous intermediates may not be very sensitive to overall composition. This can provide insight into potential metastable phases which may form in a material system, even with a precursor that does not crystallize to the kinetically stabilized product. Determination of local structure in homogeneous amorphous reaction intermediates from techniques such as PDF can be a valuable asset in the development of systematic methods to prepare targeted solid-state compounds from designed precursors.

The electron-furfural scattering dynamics for 63 energetically open electronic states

NASA Astrophysics Data System (ADS)

da Costa, Romarly F.; do N. Varella, Márcio T.; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.; Brunger, Michael J.; Lima, Marco A. P.

2016-03-01

We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C5H4O2). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (Nopen) at either the static-exchange (Nopen ch-SE) or the static-exchange-plus-polarisation (Nopen ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

The electron-furfural scattering dynamics for 63 energetically open electronic states

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

Costa, Romarly F. da; Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, São Paulo 09210-580; Varella, Márcio T. do N

We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C{sub 5}H{sub 4}O{sub 2}). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N{sub open}) at either the static-exchange (N{sub open} ch-SE) or the static-exchange-plus-polarisation (N{sub open} ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channelmore » coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.« less

Resonance electronic Raman scattering in rare earth crystals

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

Williams, G.M.

1988-11-10

The intensities of Raman scattering transitions between electronic energy levels of trivalent rare earth ions doped into transparent crystals were measured and compared to theory. A particle emphasis was placed on the examination of the effect of intermediate state resonances on the Raman scattering intensities. Two specific systems were studied: Ce/sup 3 +/(4f/sup 1/) in single crystals of LuPO/sub 4/ and Er/sup 3 +/(4f/sup 11/) in single crystals of ErPO/sub 4/. 134 refs., 92 figs., 33 tabs.

Spectrophotometric properties of materials observed by Pancam on the Mars Exploration Rovers: 2. Opportunity

USGS Publications Warehouse

Johnson, J. R.; Grundy, W.M.; Lemmon, M.T.; Bell, J.F.; Johnson, M.J.; Deen, R.; Arvidson, R. E.; Farrand, W. H.; Guinness, E.; Hayes, A.G.; Herkenhoff, K. E.; Seelos, F.; Soderblom, J.; Squyres, S.

2006-01-01

The Panoramic Camera (Pancam) on the Mars Exploration Rover Opportunity acquired visible/near-infrared multispectral observations of soils and rocks under varying viewing and illumination geometries that were modeled using radiative transfer theory to improve interpretations of the microphysical and surface scattering nature of materials in Meridiani Planum. Nearly 25,000 individual measurements were collected of rock and soil units identified by their color and morphologic properties over a wide range of phase angles (0-150??) at Eagle crater, in the surrounding plains, in Endurance crater, and in the plains between Endurance and Erebus craters through Sol 492. Corrections for diffuse skylight incorporated sky models based on observations of atmospheric opacity throughout the mission. Disparity maps created from Pancam stereo images allowed inclusion of local facet orientation estimates. Outcrop rocks overall exhibited the highest single scattering albedos (???0.9 at 753 nm), and most spherule-rich soils exhibited the lowest (???0.6 at 753 nm). Macroscopic roughness among outcrop rocks varied but was typically larger than spherule-rich soils. Data sets with sufficient phase angle coverage (resulting in well-constrained Hapke parameters) suggested that models using single-term and two-term Henyey-Greenstein phase functions exhibit a dominantly broad backscattering trend for most undisturbed spherule-rich soils. Rover tracks and other compressed soils exhibited forward scattering, while outcrop rocks were intermediate in their scattering behaviors. Some phase functions exhibited wavelength-dependent trends that may result from variations in thin deposits of airfall dust that occurred during the mission. Copyright 2006 by the American Geophysical Union.

Evidence of a Weakly Absorbing Intermediate Mode of Aerosols in AERONET Data from Saharan and Sahelian Sites

NASA Technical Reports Server (NTRS)

Gianelli, Scott M.; Lacis, Andrew A.; Carlson, Barbara E.; Hameed, Sultan

2013-01-01

Accurate retrievals of aerosol size distribution are necessary to estimate aerosols' impact on climate and human health. The inversions of the Aerosol Robotic Network (AERONET) usually retrieve bimodal distributions. However, when the inversion is applied to Saharan and Sahelian dust, an additional mode of intermediate size between the coarse and fine modes is sometimes seen. This mode explains peculiarities in the behavior of the Angstrom exponent, along with the fine mode fraction retrieved using the spectral deconvolution algorithm, observed in a March 2006 dust storm. For this study, 15 AERONET sites in northern Africa and on the Atlantic are examined to determine the frequency and properties of the intermediate mode. The mode is observed most frequently at Ilorin in Nigeria. It is also observed at Capo Verde and multiple sites located within the Sahel but much less frequently at sites in the northern Sahara and the Canary Islands. The presence of the intermediate mode coincides with increases in Angstrom exponent, fine mode fraction, single-scattering albedo, and to a lesser extent percent sphericity. The Angstrom exponent decreases with increasing optical depth at most sites when the intermediate mode is present, but the fine mode fraction does not. Single-scattering albedo does not steadily decrease with fine mode fraction when the intermediate mode is present, as it does in typical mixtures of dust and biomass-burning aerosols. Continued investigation is needed to further define the intermediate mode's properties, determine why it differs from most Saharan dust, and identify its climate and health effects.

A new structural framework for integrating replication protein A into DNA processing machinery

PubMed Central

Brosey, Chris A.; Yan, Chunli; Tsutakawa, Susan E.; Heller, William T.; Rambo, Robert P.; Tainer, John A.; Ivanov, Ivaylo; Chazin, Walter J.

2013-01-01

By coupling the protection and organization of single-stranded DNA (ssDNA) with recruitment and alignment of DNA processing factors, replication protein A (RPA) lies at the heart of dynamic multi-protein DNA processing machinery. Nevertheless, how RPA coordinates biochemical functions of its eight domains remains unknown. We examined the structural biochemistry of RPA’s DNA-binding activity, combining small-angle X-ray and neutron scattering with all-atom molecular dynamics simulations to investigate the architecture of RPA’s DNA-binding core. The scattering data reveal compaction promoted by DNA binding; DNA-free RPA exists in an ensemble of states with inter-domain mobility and becomes progressively more condensed and less dynamic on binding ssDNA. Our results contrast with previous models proposing RPA initially binds ssDNA in a condensed state and becomes more extended as it fully engages the substrate. Moreover, the consensus view that RPA engages ssDNA in initial, intermediate and final stages conflicts with our data revealing that RPA undergoes two (not three) transitions as it binds ssDNA with no evidence for a discrete intermediate state. These results form a framework for understanding how RPA integrates the ssDNA substrate into DNA processing machinery, provides substrate access to its binding partners and promotes the progression and selection of DNA processing pathways. PMID:23303776

A new structural framework for integrating replication protein A into DNA processing machinery

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

Brosey, Chris; Yan, Chunli; Tsutakawa, Susan

2013-01-17

By coupling the protection and organization of single-stranded DNA (ssDNA) with recruitment and alignment of DNA processing factors, replication protein A (RPA) lies at the heart of dynamic multi-protein DNA processing machinery. Nevertheless, how RPA coordinates biochemical functions of its eight domains remains unknown. We examined the structural biochemistry of RPA's DNA-binding activity, combining small-angle X-ray and neutron scattering with all-atom molecular dynamics simulations to investigate the architecture of RPA's DNA-binding core. The scattering data reveal compaction promoted by DNA binding; DNA-free RPA exists in an ensemble of states with inter-domain mobility and becomes progressively more condensed and less dynamicmore » on binding ssDNA. Our results contrast with previous models proposing RPA initially binds ssDNA in a condensed state and becomes more extended as it fully engages the substrate. Moreover, the consensus view that RPA engages ssDNA in initial, intermediate and final stages conflicts with our data revealing that RPA undergoes two (not three) transitions as it binds ssDNA with no evidence for a discrete intermediate state. These results form a framework for understanding how RPA integrates the ssDNA substrate into DNA processing machinery, provides substrate access to its binding partners and promotes the progression and selection of DNA processing pathways.« less

Damped spin waves in the intermediate ordered phases in Ni 3V 2O 8

DOE PAGES

Ehlers, Georg; Podlesnyak, Andrey A.; Frontzek, Matthias D.; ...

2015-06-09

Here, spin dynamics in the intermediate ordered phases (between 4 and 9 K) in Ni 3V 2O 8 have been studied with inelastic neutron scattering. It is found that the spin waves are very diffuse, indicative of short lived correlations and the coexistence of paramagnetic moments with the long-range ordered state.

Boson mode, Medium Range Structure and Intermediate Phase (IP) in (Na2O)x(B2O3)1-x glasses

NASA Astrophysics Data System (ADS)

Vignarooban, K.; Boolchand, P.; Micoulaut, M.; Malki, M.

2012-02-01

Raman scattering of titled glasses are examined using a T64000 Dispersive system. Scattering strengths of the Boson mode (40 cm-1, 70 cm-1) and the Boroxyl ring (BR) mode (808 cm-1) are found to decrease with increasing x at the same rate in the 0 < x < 20% soda range. Apparently, the 2D character of BRs embedded in a 3D network gives rise to the Boson mode.ootnotetextM. Flores-Ruiz and G. Naumis, PRB, 2011. 83: p. 184204 The triad of modes (705, 740, 770 cm-1) near the 808 cm-1 mode are found to display a maximum in scattering strength near x = 37% (705 cm-1), 33% (740 cm-1) and 25% (770 cm-1), suggesting that these are also ring modes of Na-tripentaborate (STPB), Na-diborate (SDB) and Na-triborate (STB) super-structures. Variations in Raman scattering strengths also suggest that STB percolate near x = 20%, the stress transition, while the STPB and SDTB percolate near x = 40%, the rigidity transition. These transitions were inferred from m-DSC experiments that show an intermediate phase in the 20% < x < 40% range in dry and homogeneous glasses.

Stimulated Electronic X-Ray Raman Scattering

NASA Astrophysics Data System (ADS)

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

2013-12-01

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

Study of the Spin Dependent 3HE-NUCLEUS Interaction at 450 Mev

NASA Astrophysics Data System (ADS)

Kamiya, J.; Hatanaka, K.; Sakemi, Y.; Wakasa, T.; Yoshida, H. P.; Obayashi, E.; Hara, K.; Kitamura, K.; Shimizu, Y.; Fujita, K.; Sakamoto, N.; Shimbara, Y.; Adachi, T.; Sakaguchi, H.; Yosoi, M.; Uchida, M.; Yasuda, Y.; Kawabata, T.; Noro, T.

2003-04-01

Differential cross sections and induced polarizations of 3He+12C, 58Ni, and 90Zr elastic scattering were measured at E3He = 450 MeV. This is the first measurement of the polarization for 3He scattering at intermediate energies. The optical potential parameters including the spin-orbit potential were determined with small uncertainties. The volume integrals per nucleon of the potentials were investigated for 3He and their energy dependence showed the similar behavior to that for protons at intermediate energies. The single folding calculations were compared with the data. The real central and spin-orbit parts of the folded potentials had to be reduced by a few tens of percent in order to reproduce the experimental results.

Dynamic Scaling of Colloidal Gel Formation at Intermediate Concentrations

DOE PAGES

Zhang, Qingteng; Bahadur, Divya; Dufresne, Eric M.; ...

2017-10-25

Here, we have examined the formation and dissolution of gels composed of intermediate volume-fraction nanoparticles with temperature-dependent short-range attractions using small-angle x-ray scatter- ing (SAXS), x-ray photon correlation spectroscopy (XPCS), and rheology to obtain nanoscale and macroscale sensitivity to structure and dynamics. Gel formation after temperature quenches to the vicinity of the rheologically-determined gel temperature, T gel, was characterized via the slow-down of dynamics and changes in microstructure observed in the intensity autocorrelation functions and structure factor, respectively, as a function of quench depth (ΔT = T quench - T gel), wave vector, and formation time (t f). We findmore » similar patterns in the slow-down of dynamics that maps the wave-vector-dependent dynamics at a particular ΔT and t f to that at other ΔTs and t fs via an effective scaling temperature, Ts. A single Ts applies to a broad range of ΔT and tf but does depend on the particle size. The rate of formation implied by the scaling is a far stronger function of ΔT than that of the attraction strength between colloids. Finally, we interpret this strong temperature de- pendence in terms of changes in cooperative bonding required to form stable, energetically favored, local structures.« less

Dynamic Scaling of Colloidal Gel Formation at Intermediate Concentrations

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

Zhang, Qingteng; Bahadur, Divya; Dufresne, Eric M.

Here, we have examined the formation and dissolution of gels composed of intermediate volume-fraction nanoparticles with temperature-dependent short-range attractions using small-angle x-ray scatter- ing (SAXS), x-ray photon correlation spectroscopy (XPCS), and rheology to obtain nanoscale and macroscale sensitivity to structure and dynamics. Gel formation after temperature quenches to the vicinity of the rheologically-determined gel temperature, T gel, was characterized via the slow-down of dynamics and changes in microstructure observed in the intensity autocorrelation functions and structure factor, respectively, as a function of quench depth (ΔT = T quench - T gel), wave vector, and formation time (t f). We findmore » similar patterns in the slow-down of dynamics that maps the wave-vector-dependent dynamics at a particular ΔT and t f to that at other ΔTs and t fs via an effective scaling temperature, Ts. A single Ts applies to a broad range of ΔT and tf but does depend on the particle size. The rate of formation implied by the scaling is a far stronger function of ΔT than that of the attraction strength between colloids. Finally, we interpret this strong temperature de- pendence in terms of changes in cooperative bonding required to form stable, energetically favored, local structures.« less

Statistical characterization of Earth’s heterogeneities from seismic scattering

NASA Astrophysics Data System (ADS)

Zheng, Y.; Wu, R.

2009-12-01

The distortion of a teleseismic wavefront carries information about the heterogeneities through which the wave propagates and it is manifestited as logarithmic amplitude (logA) and phase fluctuations of the direct P wave recorded by a seismic network. By cross correlating the fluctuations (e.g., logA-logA or phase-phase), we obtain coherence functions, which depend on spatial lags between stations and incident angles between the incident waves. We have mathematically related the depth-dependent heterogeneity spectrum to the observable coherence functions using seismic scattering theory. We will show that our method has sharp depth resolution. Using the HiNet seismic network data in Japan, we have inverted power spectra for two depth ranges, ~0-120km and below ~120km depth. The coherence functions formed by different groups of stations or by different groups of earthquakes at different back azimuths are similar. This demonstrates that the method is statistically stable and the inhomogeneities are statistically stationary. In both depth intervals, the trend of the spectral amplitude decays from large scale to small scale in a power-law fashion with exceptions at ~50km for the logA data. Due to the spatial spacing of the seismometers, only information from length scale 15km to 200km is inverted. However our scattering method provides new information on small to intermediate scales that are comparable to scales of the recycled materials and thus is complimentary to the global seismic tomography which reveals mainly large-scale heterogeneities on the order of ~1000km. The small-scale heterogeneities revealed here are not likely of pure thermal origin. Therefore, the length scale and strength of heterogeneities as a function of depth may provide important constraints in mechanical mixing of various components in the mantle convection.

Relation between scattering and production amplitude--Case of intermediate {sigma}-particle in {pi}{pi}-system--

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

Ishida, Muneyuki; Ishida, Shin; Ishida, Taku

1998-05-29

The relation between scattering and production amplitudes are investigated, using a simple field theoretical model, from the general viewpoint of unitarity and the applicability of final state interaction (FSI-) theorem. The IA-method and VMW-method, which are applied to our phenomenological analyses [2,3] suggesting the {sigma}-existence, are obtained as the physical state representations of scattering and production amplitudes, respectively. Moreover, the VMW-method is shown to be an effective method to obtain the resonance properties from general production processes, while the conventional analyses based on the 'universality' of {pi}{pi}-scattering amplitude are powerless for this purpose.

Relation between scattering and production amplitude—Case of intermediate σ-particle in ππ-system—

NASA Astrophysics Data System (ADS)

Ishida, Muneyuki; Ishida, Shin; Ishida, Taku

1998-05-01

The relation between scattering and production amplitudes are investigated, using a simple field theoretical model, from the general viewpoint of unitarity and the applicability of final state interaction (FSI-) theorem. The IA-method and VMW-method, which are applied to our phenomenological analyses [2,3] suggesting the σ-existence, are obtained as the physical state representations of scattering and production amplitudes, respectively. Moreover, the VMW-method is shown to be an effective method to obtain the resonance properties from general production processes, while the conventional analyses based on the "universality" of ππ-scattering amplitude are powerless for this purpose.

Simultaneous manipulation and observation of multiple ro-vibrational eigenstates in solid para-hydrogen.

PubMed

Katsuki, Hiroyuki; Ohmori, Kenji

2016-09-28

We have experimentally performed the coherent control of delocalized ro-vibrational wave packets (RVWs) of solid para-hydrogen (p-H 2 ) by the wave packet interferometry (WPI) combined with coherent anti-Stokes Raman scattering (CARS). RVWs of solid p-H 2 are delocalized in the crystal, and the wave function with wave vector k ∼ 0 is selectively excited via the stimulated Raman process. We have excited the RVW twice by a pair of femtosecond laser pulses with delay controlled by a stabilized Michelson interferometer. Using a broad-band laser pulse, multiple ro-vibrational states can be excited simultaneously. We have observed the time-dependent Ramsey fringe spectra as a function of the inter-pulse delay by a spectrally resolved CARS technique using a narrow-band probe pulse, resolving the different intermediate states. Due to the different fringe oscillation periods among those intermediate states, we can manipulate their amplitude ratio by tuning the inter-pulse delay on the sub-femtosecond time scale. The state-selective manipulation and detection of the CARS signal combined with the WPI is a general and efficient protocol for the control of the interference of multiple quantum states in various quantum systems.

Relationship of scattering phase shifts to special radiation force conditions for spheres in axisymmetric wave-fields.

PubMed

Marston, Philip L; Zhang, Likun

2017-05-01

When investigating the radiation forces on spheres in complicated wave-fields, the interpretation of analytical results can be simplified by retaining the s-function notation and associated phase shifts imported into acoustics from quantum scattering theory. For situations in which dissipation is negligible, as taken to be the case in the present investigation, there is an additional simplification in that partial-wave phase shifts become real numbers that vanish when the partial-wave index becomes large and when the wave-number-sphere-radius product vanishes. By restricting attention to monopole and dipole phase shifts, transitions in the axial radiation force for axisymmetric wave-fields are found to be related to wave-field parameters for traveling and standing Bessel wave-fields by considering the ratio of the phase shifts. For traveling waves, the special force conditions concern negative forces while for standing waves, the special force conditions concern vanishing radiation forces. An intermediate step involves considering the functional dependence on phase shifts. An appendix gives an approximation for zero-force plane standing wave conditions. Connections with early investigations of acoustic levitation are mentioned and some complications associated with viscosity are briefly noted.

Phonon exchange by two-dimensional electrons in intermediate magnetic fields

NASA Astrophysics Data System (ADS)

Gopalakrishnan, Gokul

The discovery of the integer and fractional quantum Hall effects have broadened the exploration of the two-dimensional electron gas to regimes where complex and exciting physics lay previously hidden. While many experimental investigations have focused on the regime of large magnetic fields where transport properties are determined by contributions from a single Landau level, the regime of intermediate fields, where multiple Landau levels are involved, has been much less explored. This dissertation is a report on a previously unobserved interaction probed by a novel type of magneto-transport measurement performed in this intermediate regime, in bilayer two-dimensional electron systems. This measurement technique, known as electron drag, directly measures interlayer electron-electron scattering rates, by measuring the voltage induced in one of the layers when a current is driven through the other. The scattering mechanism, which may be Coulomb or phonon mediated, depends critically on both the separation between the layers and the electron density. When electron drag is measured in the presence of a perpendicular magnetic field in suitable samples, the resulting magnetodrag signal reveals new information about the electronic states as well as properties of a phonon mediated scattering mechanism. This phonon scattering mechanism is reflected in previously unobserved oscillations. These oscillations, which are periodic in the inverse field, are argued to arise from a resonant interlayer exchange of 2 kF phonons. Measurements of the temperature, density and layer-spacing dependences of magnetodrag resistivity are reported and are shown to confirm this particular mechanism. Additionally, analysis of the temperature dependence reveals a strong sensitivity to Landau level widths. Based on this analysis, a means of characterizing the broadening of Landau levels and hence, electronic lifetimes in this regime, which are otherwise difficult to characterize, is proposed.

Weak Localization and Antilocalization in Topological Materials with Impurity Spin-Orbit Interactions

PubMed Central

Hankiewicz, Ewelina M.; Culcer, Dimitrie

2017-01-01

Topological materials have attracted considerable experimental and theoretical attention. They exhibit strong spin-orbit coupling both in the band structure (intrinsic) and in the impurity potentials (extrinsic), although the latter is often neglected. In this work, we discuss weak localization and antilocalization of massless Dirac fermions in topological insulators and massive Dirac fermions in Weyl semimetal thin films, taking into account both intrinsic and extrinsic spin-orbit interactions. The physics is governed by the complex interplay of the chiral spin texture, quasiparticle mass, and scalar and spin-orbit scattering. We demonstrate that terms linear in the extrinsic spin-orbit scattering are generally present in the Bloch and momentum relaxation times in all topological materials, and the correction to the diffusion constant is linear in the strength of the extrinsic spin-orbit. In topological insulators, which have zero quasiparticle mass, the terms linear in the impurity spin-orbit coupling lead to an observable density dependence in the weak antilocalization correction. They produce substantial qualitative modifications to the magnetoconductivity, differing greatly from the conventional Hikami-Larkin-Nagaoka formula traditionally used in experimental fits, which predicts a crossover from weak localization to antilocalization as a function of the extrinsic spin-orbit strength. In contrast, our analysis reveals that topological insulators always exhibit weak antilocalization. In Weyl semimetal thin films having intermediate to large values of the quasiparticle mass, we show that extrinsic spin-orbit scattering strongly affects the boundary of the weak localization to antilocalization transition. We produce a complete phase diagram for this transition as a function of the mass and spin-orbit scattering strength. Throughout the paper, we discuss implications for experimental work, and, at the end, we provide a brief comparison with transition metal dichalcogenides. PMID:28773167

Frequency and Wavevector Dependence of the Atomic Level Stress-Stress Correlation Function in a Model Supercooled Liquid

NASA Astrophysics Data System (ADS)

Levashov, Valentin A.; Morris, James R.; Egami, Takeshi

2012-02-01

Temporal and spatial correlations among the local atomic level shear stresses were studied for a model liquid iron by molecular dynamics simulation [PRL 106,115703]. Integration over time and space of the shear stress correlation function F(r,t) yields viscosity via Green-Kubo relation. The stress correlation function in time and space F(r,t) was Fourier transformed to study the dependence on frequency, E, and wave vector, Q. The results, F(Q,E), showed damped shear stress waves propagating in the liquid for small Q at high and low temperatures. We also observed additional diffuse feature that appears as temperature is reduced below crossover temperature of potential energy landscape at relatively low frequencies at small Q. We suggest that this additional feature might be related to dynamic heterogeneity and boson peaks. We also discuss a relation between the time-scale of the stress-stress correlation function and the alpha-relaxation time of the intermediate self-scattering function S(Q,E).

Molecular dynamics simulation of the polymer electrolyte poly(ethylene oxide)/LiClO(4). II. Dynamical properties.

PubMed

Siqueira, Leonardo J A; Ribeiro, Mauro C C

2006-12-07

The dynamical properties of the polymer electrolyte poly(ethylene oxide) (PEO)LiClO(4) have been investigated by molecular dynamics simulations. The effect of changing salt concentration and temperature was evaluated on several time correlation functions. Ionic displacements projected on different directions reveal anisotropy in short-time (rattling) and long-time (diffusive) dynamics of Li(+) cations. It is shown that ionic mobility is coupled to the segmental motion of the polymeric chain. Structural relaxation is probed by the intermediate scattering function F(k,t) at several wave vectors. Good agreement was found between calculated and experimental F(k,t) for pure PEO. A remarkable slowing down of polymer relaxation is observed upon addition of the salt. The ionic conductivity estimated by the Nernst-Einstein equation is approximately ten times higher than the actual conductivity calculated by the time correlation function of charge current.

Two-magnon excitations in resonant inelastic x-ray scattering studied within spin density wave formalism

NASA Astrophysics Data System (ADS)

Nomura, Takuji

2017-10-01

We study two-magnon excitations in resonant inelastic x-ray scattering (RIXS) at the transition-metal K edge. Instead of working with effective Heisenberg spin models, we work with a Hubbard-type model (d -p model) for a typical insulating cuprate La2CuO4 . For the antiferromagnetic ground state within the spin density wave (SDW) mean-field formalism, we calculate the dynamical correlation function within the random-phase approximation (RPA), and then obtain two-magnon excitation spectra by calculating the convolution of it. Coupling between the K -shell hole and the magnons in the intermediate state is calculated by means of diagrammatic perturbation expansion in the Coulomb interaction. The calculated momentum dependence of RIXS spectra agrees well with that of experiments. A notable difference from previous calculations based on the Heisenberg spin models is that RIXS spectra have a large two-magnon weight near the zone center, which may be confirmed by further careful high-resolution experiments.

Airborne Laser Polar Nephelometer

NASA Technical Reports Server (NTRS)

Grams, Gerald W.

1973-01-01

A polar nephelometer has been developed at NCAR to measure the angular variation of the intensity of light scattered by air molecules and particles. The system has been designed for airborne measurements using outside air ducted through a 5-cm diameter airflow tube; the sample volume is that which is common to the intersection of a collimated source beam and the detector field of view within the airflow tube. The source is a linearly polarized helium-neon laser beam. The optical system defines a collimated field-of-view (0.5deg half-angle) through a series of diaphragms located behind a I72-mm focal length objective lens. A photomultiplier tube is located immediately behind an aperture in the focal plane of the objective lens. The laser beam is mechanically chopped (on-off) at a rate of 5 Hz; a two-channel pulse counter, synchronized to the laser output, measures the photomultiplier pulse rate with the light beam both on and off. The difference in these measured pulse rates is directly proportional to the intensity of the scattered light from the volume common to the intersection of the laser beam and the detector field-of-view. Measurements can be made at scattering angles from 15deg to 165deg with reference to the direction of propagation of the light beam. Intermediate angles are obtained by selecting the angular increments desired between these extreme angles (any multiple of 0.1deg can be selected for the angular increment; 5deg is used in normal operation). Pulses provided by digital circuits control a stepping motor which sequentially rotates the detector by pre-selected angular increments. The synchronous photon-counting system automatically begins measurement of the scattered-light intensity immediately after the rotation to a new angle has been completed. The instrument has been flown on the NASA Convair 990 airborne laboratory to obtain data on the complex index of refraction of atmospheric aerosols. A particle impaction device is operated simultaneously to collect particles from the same airflow tube used to make the scattered-light measurements. A size distribution function is obtained by analysis of the particles collected by the impaction device. Calculated values of the angular variation of the scattered-light intensity are obtained by applying Mie scattering theory to the observed size distribution function and assuming different values of the complex index of refraction of the particles. The calculated values are then compared with data on the actual variation of the scattered-light intensity obtained with the polar nephelometer. The most probable value of the complex refractive index is that which provides the best fit between the experimental light scattering data and the parameters calculated from the observed size distribution function.

The investigation of order–disorder transition process of ZSM-5 induced by spark plasma sintering

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

Wang, Liang; Wang, Lianjun, E-mail: wanglj@dhu.edu.cn; Jiang, Wan

2014-04-01

Based on the amorphization of zeolites, an order–disorder transition method was used to prepare silica glass via Spark Plasma Sintering (SPS). In order to get a better understanding about the mechanism of amorphization induced by SPS, the intermediate products in this process were prepared and characterized by different characterization techniques. X-ray diffraction and High-energy synchrotron X-ray scattering show a gradual transformation from ordered crystal to glass. Local structural changes in glass network including Si–O bond length, O–Si–O bond angle, size of rings, coordination were detected by Infrared spectroscopy and {sup 29}Si magic-angle spinning nuclear magnetic resonance (NMR) spectroscopy. Topologically ordered,more » amorphous material with a different intermediate-range structure can be obtained by precise control of intermediate process which can be expected to optimize and design material. - Graphical abstract: Low-density, ordered zeolites collapse to the rigid amorphous glass through spark plasma sintering. The intermediate-range structure formed in the process of order–disorder transition may give rise to specific property. - Highlights: • Order–disorder transition process of ZSM-5 induced by spark plasma sintering was investigated using several methods including XRD, High-energy synchrotron X-ray scattering, SAXS, IR, NMR, ect. • Order–disorder transition induced by SPS was compared with TIA and PIA. • Three stages has been divided during the whole process. • The collapse temperature range which may give rise to intermediate-range structure has been located.« less

X-Ray Absorption Measured in the Resonant Auger Scattering Mode

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

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

2008-08-15

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

First Search for the EMC Effect and Nuclear Shadowing in Neutrino Nucleus Deep Inelastic Scattering at MINERvA

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

Mousseau, Joel A.

2015-01-01

Decades of research in electron-nucleus deep inelastic scattering (DIS) have provided a clear picture of nuclear physics at high momentum transfer. While these effects have been clearly demonstrated by experiment, the theoretical explanation of their origin in some kinematic regions has been lacking. Particularly, the effects in the intermediate regions of Bjorken-x, anti-shadowing and the EMC effect have no universally accepted quantum mechanical explanation. In addition, these effects have not been measured systematically with neutrino-nucleus deep inelastic scattering, due to experiments lacking multiple heavy targets.

An empirical correction for moderate multiple scattering in super-heterodyne light scattering.

PubMed

Botin, Denis; Mapa, Ludmila Marotta; Schweinfurth, Holger; Sieber, Bastian; Wittenberg, Christopher; Palberg, Thomas

2017-05-28

Frequency domain super-heterodyne laser light scattering is utilized in a low angle integral measurement configuration to determine flow and diffusion in charged sphere suspensions showing moderate to strong multiple scattering. We introduce an empirical correction to subtract the multiple scattering background and isolate the singly scattered light. We demonstrate the excellent feasibility of this simple approach for turbid suspensions of transmittance T ≥ 0.4. We study the particle concentration dependence of the electro-kinetic mobility in low salt aqueous suspension over an extended concentration regime and observe a maximum at intermediate concentrations. We further use our scheme for measurements of the self-diffusion coefficients in the fluid samples in the absence or presence of shear, as well as in polycrystalline samples during crystallization and coarsening. We discuss the scope and limits of our approach as well as possible future applications.

Diffraction of electrons at intermediate energies: The role of phonons

NASA Astrophysics Data System (ADS)

Ascolani, H.; Zampieri, G.

1996-07-01

The intensity of electrons reflected ``elastically'' from crystalline surfaces presents two regimes: the low-energy or LEED regime (<500 eV), in which the electrons are reflected along the Bragg directions, and the intermediate-energy or XPD/AED regime (>500 eV), in which the maxima of intensity are along the main crystallographic axes. We present a model which explains this transition in terms of the excitation/absorption of phonons during the scattering.

Structure-Function Perturbation and Dissociation of Tetrameric Urate Oxidase by High Hydrostatic Pressure

PubMed Central

Girard, Eric; Marchal, Stéphane; Perez, Javier; Finet, Stéphanie; Kahn, Richard; Fourme, Roger; Marassio, Guillaume; Dhaussy, Anne-Claire; Prangé, Thierry; Giffard, Marion; Dulin, Fabienne; Bonneté, Françoise; Lange, Reinhard; Abraini, Jacques H.; Mezouar, Mohamed; Colloc'h, Nathalie

2010-01-01

Abstract Structure-function relationships in the tetrameric enzyme urate oxidase were investigated using pressure perturbation. As the active sites are located at the interfaces between monomers, enzyme activity is directly related to the integrity of the tetramer. The effect of hydrostatic pressure on the enzyme was investigated by x-ray crystallography, small-angle x-ray scattering, and fluorescence spectroscopy. Enzymatic activity was also measured under pressure and after decompression. A global model, consistent with all measurements, discloses structural and functional details of the pressure-induced dissociation of the tetramer. Before dissociating, the pressurized protein adopts a conformational substate characterized by an expansion of its substrate binding pocket at the expense of a large neighboring hydrophobic cavity. This substate should be adopted by the enzyme during its catalytic mechanism, where the active site has to accommodate larger intermediates and product. The approach, combining several high-pressure techniques, offers a new (to our knowledge) means of exploring structural and functional properties of transient states relevant to protein mechanisms. PMID:20483346

A-thermal elastic behavior of silicate glasses.

PubMed

Rabia, Mohammed Kamel; Degioanni, Simon; Martinet, Christine; Le Brusq, Jacques; Champagnon, Bernard; Vouagner, Dominique

2016-02-24

Depending on the composition of silicate glasses, their elastic moduli can increase or decrease as function of the temperature. Studying the Brillouin frequency shift of these glasses versus temperature allows the a-thermal composition corresponding to an intermediate glass to be determined. In an intermediate glass, the elastic moduli are independent of the temperature over a large temperature range. For sodium alumino-silicate glasses, the a-thermal composition is close to the albite glass (NaAlSi3O8). The structural origin of this property is studied by in situ high temperature Raman scattering. The structure of the intermediate albite glass and of silica are compared at different temperatures between room temperature and 600 °C. When the temperature increases, it is shown that the high frequency shift of the main band at 440 cm(-1) in silica is a consequence of the cristobalite-like alpha-beta transformation of 6-membered rings. This effect is stronger in silica than bond elongation (anharmonic effects). As a consequence, the elastic moduli of silica increase as the temperature increases. In the albite glass, the substitution of 25% of Si(4+) ions by Al(3+) and Na(+) ions decreases the proportion of SiO2 6-membered rings responsible for the silica anomaly. The effects of the silica anomaly balance the anharmonicity in albite glass and give rise to an intermediate a-thermal glass. Different networks, formers or modifiers, can be added to produce different a-thermal glasses with useful mechanical or chemical properties.

The Frequency Evolution of Interstellar Pulse Broadening from Radio Pulsars

NASA Astrophysics Data System (ADS)

Löhmer, O.; Mitra, D.; Gupta, Y.; Kramer, M.; Ahuja, A.

2004-10-01

Using radio pulsars as probes of the interstellar medium (ISM) we study the frequency evolution of interstellar scattering. The frequency dependence of scatter broadening times, τsc, for most of the pulsars with low and intermediate dispersion measures (DM ≲ 400 pc cm-3) is consistent with the Kolmogorov spectrum of electron density fluctuations in a turbulent medium. In contrast, the measured τsc's for highly dispersed pulsars in the central region of the Galaxy are larger than expected and show a spectrum which is flatter than the Kolmogorov law. We analyse the first measurements of spectral indices of scatter broadening over the full known DM range and discuss possible explanations for the anomalous scattering behaviour along peculiar lines of sight (LOS).

Two-photon processes based on quantum commutators

NASA Astrophysics Data System (ADS)

Fratini, F.; Safari, L.; Amaro, P.; Santos, J. P.

2018-04-01

We developed a method to calculate two-photon processes in quantum mechanics that replaces the infinite summation over the intermediate states by a perturbation expansion. This latter consists of a series of commutators that involve position, momentum, and Hamiltonian quantum operators. We analyzed several single- and many-particle cases for which a closed-form solution to the perturbation expansion exists, as well as more complicated cases for which a solution is found by convergence. Throughout the article, Rayleigh and Raman scattering are taken as examples of two-photon processes. The present method provides a clear distinction between the Thomson scattering, regarded as classical scattering, and quantum contributions. Such a distinction lets us derive general results concerning light scattering. Finally, possible extensions to the developed formalism are discussed.

A complete measurement of spin-observables for intermediate-energy inclusive quasielastic polarized proton scattering from 12C

NASA Astrophysics Data System (ADS)

Chan, C.; Drake, T. E.; Abegg, R.; Frekers, D.; Häusser, O.; Hicks, K.; Hutcheon, D. A.; Lee, L.; Miller, C. A.; Schubank, R.; Yen, S.

1990-04-01

The complete set of Wolfenstein parameters, the polarization, the asymmetry of scattering and the unpolarized double-differential cross section are presented for inclusive quasielastic proton scattering from 12C at a central momentum transfer of q = 1.9 fm -1 and incident energies of 290 and 420 MeV. The spin observables D0, Dx, Dy and Dz as well as the longitudinal-to-transverse ratio of spin-flip probabilities are extracted from the data. Across the quasielastic continuum, the experimental data is compared to the variations expected from a single-scattering Fermi-gas approximation using the free NN amplitudes. Medium effects are evident in the pronounced quenching of the polarization parameter relative to the free value.

Structures and interactions among globular proteins above the isoelectric point in the presence of divalent ions: A small angle neutron scattering and dynamic light scattering study

NASA Astrophysics Data System (ADS)

Kundu, Sarathi; Pandit, Subhankar; Abbas, Sohrab; Aswal, V. K.; Kohlbrecher, J.

2018-02-01

Small angle neutron scattering study reveals that at pD ≈ 7.0, above the isoelectric point of the globular protein Bovine Serum Albumin (BSA), in the presence of different divalent ions (Mg2+, Ca2+, Sr2+ and Ba2+), the short-range attractive interaction remains nearly constant and the intermediate-range repulsive interaction decreases with increasing salt concentration up to a certain concentration value but after that remains unchanged. However, for the monovalent ion (Na+), repulsive interaction decreases gradually up to 1 M salt concentration. Dynamic light scattering study shows that for all ions, diffusion coefficient of BSA decreases with increasing salt concentration and then nearly saturates.

Multiscale Relaxation Dynamics in Ultrathin Metallic Glass-Forming Films

NASA Astrophysics Data System (ADS)

Bi, Q. L.; Lü, Y. J.; Wang, W. H.

2018-04-01

The density layering phenomenon originating from a free surface gives rise to the layerlike dynamics and stress heterogeneity in ultrathin Cu-Zr glassy films, which facilitates the occurrence of multistep relaxations in the timescale of computer simulations. Taking advantage of this condition, we trace the relaxation decoupling and evolution with temperature simply via the intermediate scattering function. We show that the β relaxation hierarchically follows fast and slow modes in films, and there is a β -relaxation transition as the film is cooled close to the glass transition. We provide the direct observation of particle motions responsible for the β relaxation and reveal the dominant mechanism varying from the thermal activated to the cooperative jumps across the transition.

Mechanism of oxygen electroreduction on gold surfaces in basic media.

PubMed

Kim, Jongwon; Gewirth, Andrew A

2006-02-16

The mechanism of the electroreduction of oxygen on Au surfaces in basic media is examined using surface-enhanced Raman scattering (SERS) measurements and density functional theory (DFT) calculations. The spectroscopy reveals superoxide species as a reduction intermediate throughout the oxygen electroreduction, while no peroxide is detected. The spectroscopy also shows the presence of superoxide after the addition of hydrogen peroxide. The calculations show no effect of OH addition to the Au(100) surface with regard to O-O length. These results suggest that the four-electron reduction of O(2) on Au(100) in base arises from a disproportionation mechanism which is enhanced on Au(100) relative to the other two low Miller index faces of Au.

Self-assembly and structural relaxation in a model ionomer melt

DOE PAGES

Goswami, Monojoy; Borreguero, Jose M.; Sumpter, Bobby G.

2015-02-26

Molecular dynamics simulations are used to understand the self-assembly and structural relaxation in ionomer melts containing less than 10% degree of ionization on the backbone. We study the self-assembly of charged sites and counterions that show structural ordering and agglomeration with a range of structures that can be achieved by changing the dielectric constant of the medium. The intermediate scattering function shows a decoupling of charge and counterion relaxation at longer length scales for only high dielectric constant and at shorter length scales for all dielectric constants. Finally, the slow structural decay of counterions in the strongly correlated ionomer systemmore » closely resembles transport properties of semi-flexible polymers.« less

Lattice thermal transport in group II-alloyed PbTe

NASA Astrophysics Data System (ADS)

Xia, Yi; Hodges, James M.; Kanatzidis, Mercouri G.; Chan, Maria K. Y.

2018-04-01

PbTe, one of the most promising thermoelectric materials, has recently demonstrated a thermoelectric figure of merit (ZT) of above 2.0 when alloyed with group II elements. The improvements are due mainly to significant reduction of lattice thermal conductivity (κl), which was in turn attributed to nanoparticle precipitates. However, a fundamental understanding of various phonon scattering mechanisms within the bulk alloy is still lacking. In this work, we apply the newly-developed density-functional-theory-based compressive sensing lattice dynamics approach to model lattice heat transport in PbTe, MTe, and Pb0.94M0.06Te (M = Mg, Ca, Sr, and Ba) and compare our results with experimental measurements, with focus on the strain effect and mass disorder scattering. We find that (1) CaTe, SrTe, and BaTe in the rock-salt structure exhibit much higher κl than PbTe, while MgTe in the same structure shows anomalously low κl; (2) lattice heat transport of PbTe is extremely sensitive to static strain induced by alloying atoms in solid solution form; (3) mass disorder scattering plays a major role in reducing κl for Mg/Ca/Sr-alloyed PbTe through strongly suppressing the lifetimes of intermediate- and high-frequency phonons, while for Ba-alloyed PbTe, precipitated nanoparticles are also important.

Transitive homology-guided structural studies lead to discovery of Cro proteins with 40% sequence identity but different folds

PubMed Central

Roessler, Christian G.; Hall, Branwen M.; Anderson, William J.; Ingram, Wendy M.; Roberts, Sue A.; Montfort, William R.; Cordes, Matthew H. J.

2008-01-01

Proteins that share common ancestry may differ in structure and function because of divergent evolution of their amino acid sequences. For a typical diverse protein superfamily, the properties of a few scattered members are known from experiment. A satisfying picture of functional and structural evolution in relation to sequence changes, however, may require characterization of a larger, well chosen subset. Here, we employ a “stepping-stone” method, based on transitive homology, to target sequences intermediate between two related proteins with known divergent properties. We apply the approach to the question of how new protein folds can evolve from preexisting folds and, in particular, to an evolutionary change in secondary structure and oligomeric state in the Cro family of bacteriophage transcription factors, initially identified by sequence-structure comparison of distant homologs from phages P22 and λ. We report crystal structures of two Cro proteins, Xfaso 1 and Pfl 6, with sequences intermediate between those of P22 and λ. The domains show 40% sequence identity but differ by switching of α-helix to β-sheet in a C-terminal region spanning ≈25 residues. Sedimentation analysis also suggests a correlation between helix-to-sheet conversion and strengthened dimerization. PMID:18227506

Particle Scattering in the Resonance Regime: Full-Wave Solution for Axisymmetric Particles with Large Aspect Ratios

NASA Technical Reports Server (NTRS)

Zuffada, Cinzia; Crisp, David

1997-01-01

Reliable descriptions of the optical properties of clouds and aerosols are essential for studies of radiative transfer in planetary atmospheres. The scattering algorithms provide accurate estimates of these properties for spherical particles with a wide range of sizes and refractive indices, but these methods are not valid for non-spherical particles (e.g., ice crystals, mineral dust, and smoke). Even though a host of methods exist for deriving the optical properties of nonspherical particles that are very small or very large compared with the wavelength, only a few methods are valid in the resonance regime, where the particle dimensions are comparable with the wavelength. Most such methods are not ideal for particles with sharp edges or large axial ratios. We explore the utility of an integral equation approach for deriving the single-scattering optical properties of axisymmetric particles with large axial ratios. The accuracy of this technique is shown for spheres of increasing size parameters and an ensemble of randomly oriented prolate spheroids of size parameter equal to 10.079368. In this last case our results are compared with published results obtained with the T-matrix approach. Next we derive cross sections, single-scattering albedos, and phase functions for cylinders, disks, and spheroids of ice with dimensions extending from the Rayleigh to the geometric optics regime. Compared with those for a standard surface integral equation method, the storage requirement and the computer time needed by this method are reduced, thus making it attractive for generating databases to be used in multiple-scattering calculations. Our results show that water ice disks and cylinders are more strongly absorbing than equivalent volume spheres at most infrared wavelengths. The geometry of these particles also affects the angular dependence of the scattering. Disks and columns with maximum linear dimensions larger than the wavelength scatter much more radiation in the forward and backward directions and much less radiation at intermediate phase angles than equivalent volume spheres.

Calculation of the hadron contribution from light-by-light scattering to the anomalous (g-2)μ muon magnetic moment for a nonlocal quark model

NASA Astrophysics Data System (ADS)

Zhevlakov, A. S.; Radzhabov, A. E.; Dorokhov, A. E.

2010-11-01

The muon contribution to the anomalous magnetic moment from light-by-light scattering diagrams with pion participation is calculated for a nonlocal chiral quark model. For various nonlocal model parameterizations, the contribution makes a μ Had,LbL = 5.1(0.2) 10-10. Later on, we plan to calculate contributions from diagrams with an intermediate scalar meson and quark boxing.

Electron and donor-impurity-related Raman scattering and Raman gain in triangular quantum dots under an applied electric field

NASA Astrophysics Data System (ADS)

Tiutiunnyk, Anton; Akimov, Volodymyr; Tulupenko, Viktor; Mora-Ramos, Miguel E.; Kasapoglu, Esin; Morales, Alvaro L.; Duque, Carlos Alberto

2016-04-01

The differential cross-section of electron Raman scattering and the Raman gain are calculated and analysed in the case of prismatic quantum dots with equilateral triangle base shape. The study takes into account their dependencies on the size of the triangle, the influence of externally applied electric field as well as the presence of an ionized donor center located at the triangle's orthocenter. The calculations are made within the effective mass and parabolic band approximations, with a diagonalization scheme being applied to obtain the eigenfunctions and eigenvalues of the x- y Hamiltonian. The incident and secondary (scattered) radiation have been considered linearly-polarized along the y-direction, coinciding with the direction of the applied electric field. For the case with an impurity center, Raman scattering with the intermediate state energy below the initial state one has been found to show maximum differential cross-section more than by an order of magnitude bigger than that resulting from the scheme with lower intermediate state energy. The Raman gain has maximum magnitude around 35 nm dot size and electric field of 40 kV/cm for the case without impurity and at maximum considered values of the input parameters for the case with impurity. Values of Raman gain of the order of up to 104cm-1 are predicted in both cases.

Born distorted-wave approximation applied to the H+ + He collisions at intermediate and high energies

NASA Astrophysics Data System (ADS)

Rahmanian, M.; Fathi, R.; Shojaei, F.

2017-11-01

The single-charge transfer process in collision of protons with helium atoms in their ground states is investigated. The model utilizes the second-order three-body Born distorted-wave approximation (BDW-3B) with correct Coulomb boundary conditions to calculate the differential and total cross sections at intermediate and high energies. The role of the passive electrons and electron-electron correlations are studied by comparing our results and the BDW-4B calculations with the complete perturbation potential. The present results are also compared with other theories, and the Thomas scattering mechanism is investigated. The obtained results are also compared with the recent experimental measurements. For the prior differential cross sections, the comparisons show better agreement with the experiments at smaller scattering angles. The agreement between the total cross sections and the BDW-4B results as well as the experimental data is good at higher impact energies.

Electron heating in the exhaust of magnetic reconnection with negligible guide field

NASA Astrophysics Data System (ADS)

Wang, Shan; Chen, Li-Jen; Bessho, Naoki; Kistler, Lynn M.; Shuster, Jason R.; Guo, Ruilong

2016-03-01

Electron heating in the magnetic reconnection exhaust is investigated with particle-in-cell simulations, space observations, and theoretical analysis. Spatial variations of the electron temperature (Te) and associated velocity distribution functions (VDFs) are examined and understood in terms of particle energization and randomization processes that vary with exhaust locations. Inside the electron diffusion region (EDR), the electron temperature parallel to the magnetic field (Te∥) exhibits a local minimum and the perpendicular temperature (Te⊥) shows a maximum at the current sheet midplane. In the intermediate exhaust downstream from the EDR and far from the magnetic field pileup region, Te⊥/Te∥ is close to unity and Te is approximately uniform, but the VDFs are structured: close to the midplane, VDFs are quasi-isotropic, whereas farther away from the midplane, VDFs exhibit field-aligned beams directed toward the midplane. In the far exhaust, Te generally increases toward the midplane and the pileup region, and the corresponding VDFs show counter-streaming beams. A distinct population with low v∥ and high v⊥ is prominent in the VDFs around the midplane. Test particle results show that the magnetic curvature near the midplane produces pitch angle scattering to generate quasi-isotropic distributions in the intermediate exhaust. In the far exhaust, electrons with initial high v∥ (v⊥) are accelerated mainly through curvature (gradient-B) drift opposite to the electric field, without significant pitch angle scattering. The VDF structures predicted by simulations are observed in magnetotail reconnection measurements, indicating that the energization mechanisms captured in the reported simulations are applicable to magnetotail reconnection with negligible guide field.

Changes in the Coherent Dynamics of Nanoconfined Room Temperature Ionic Liquids

NASA Astrophysics Data System (ADS)

Vallejo, Kevin; Cano, Melissa; Li, Song; Rotner, Gernot; Faraone, Antonio; Banuelos, Jose

Confinement and temperature effects on the coherent dynamics of the room temperature ionic liquid (RTIL) [C10MPy+] [Tf2N-] were investigated using neutron spin-echo (NSE) in two silica matrices with different pore size. Several intermolecular forces give rise to the bulk molecular structure between anions and cations. NSE provided dynamics (via the coherent intermediate scattering function) in the time range of 0.004 to 10 ns, and at Q-values corresponding to intermediate range ordering and inter- and intra-molecular length scales of the RTIL. Pore wall effects were delineated by comparing bulk RTIL dynamics with those of the confined fluid in 2.8 nm and 8 nm pores. Analytical models were applied to the experimental data to extract decay times and amplitudes of each component. We find a fast relaxation outside the experiment time window, a primary relaxation, and slow, surface-induced dynamics, which all speed up with increased temperature, however, the temperature dependence differs between bulk and confinement. This study sheds light on the structure and dynamics of RTILs and is relevant to the optimization of RTILs for green technologies and applications.

Relating dynamics of model unentangled, crystallizable polymeric liquids to their local structure

NASA Astrophysics Data System (ADS)

Nguyen, Hong T.; Hoy, Robert S.

We study the liquid-state dynamics of a recently developed, crystallizable bead-spring polymer model. The model possesses a single ground state (NCP, wherein monomers close-pack and chains are nematically aligned) for all finite bending stiffnesses kb, but the solid morphologies formed under cooling vary strongly with kb, varying from NCP to amorphous. We find that systems with kb producing amorphous order are good glass-formers exhibiting the classic Vogel-Fulcher slowdown with decreasing temperature T. In contrast, systems with kb producing crystalline solids exhibit a simpler dynamics when kb is small. Larger kb produce more complex dynamics, but these are associated with the existence of an intermediate nematic liquid rather than glassy slowdown. We relate these differences to local, cluster-level structure measured via TCC analyses. Formation propensities and lifetimes of various clusters (associated with amorphous or crystalline order) vary strongly with kb and T. We relate these differences to those measured by the self-intermediate scattering function and other macroscopic measures of dynamics. Our results should aid in understanding the competition between crystallization and glass-formation in synthetic polymers.

Boson peak, heterogeneity and intermediate-range order in binary SiO2-Al2O3 glasses.

PubMed

Ando, Mariana F; Benzine, Omar; Pan, Zhiwen; Garden, Jean-Luc; Wondraczek, Katrin; Grimm, Stephan; Schuster, Kay; Wondraczek, Lothar

2018-03-29

In binary aluminosilicate liquids and glasses, heterogeneity on intermediate length scale is a crucial factor for optical fiber performance, determining the lower limit of optical attenuation and Rayleigh scattering, but also clustering and precipitation of optically active dopants, for example, in the fabrication of high-power laser gain media. Here, we consider the low-frequency vibrational modes of such materials for assessing structural heterogeneity on molecular scale. We determine the vibrational density of states VDoS g(ω) using low-temperature heat capacity data. From correlation with low-frequency Raman spectroscopy, we obtain the Raman coupling coefficient. Both experiments allow for the extraction of the average dynamic correlation length as a function of alumina content. We find that this value decreases from about 3.9 nm to 3.3 nm when mildly increasing the alumina content from zero (vitreous silica) to 7 mol%. At the same time, the average inter-particle distance increases slightly due to the presence of oxygen tricluster species. In accordance with Loewensteinian dynamics, this proves that mild alumina doping increases structural homogeneity on molecular scale.

Chiral symmetry and π - π scattering in the Covariant Spectator Theory

DOE PAGES

Biernat, Elmar P.; Peña, M. T.; Ribeiro, J. E.; ...

2014-11-14

The π-π scattering amplitude calculated with a model for the quark-antiquark interaction in the framework of the Covariant Spectator Theory (CST) is shown to satisfy the Adler zero constraint imposed by chiral symmetry. The CST formalism is established in Minkowski space and our calculations are performed in momentum space. We prove that the axial-vector Ward-Takahashi identity is satisfied by our model. Then we show that, similarly to what happens within the Bethe-Salpeter formalism, application of the axial-vector Ward Takahashi identity to the CST π-π scattering amplitude allows us to sum the intermediate quark-quark interactions to all orders. Thus, the Adlermore » self-consistency zero for π-π scattering in the chiral limit emerges as the result for this sum.« less

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

Schneider, Glenn; Gaspar, Andras; Grady, Carol A.

We present new Hubble Space Telescope observations of three a priori known starlight-scattering circumstellar debris systems (CDSs) viewed at intermediate inclinations around nearby close-solar analog stars: HD 207129, HD 202628, and HD 202917. Each of these CDSs possesses ring-like components that are more massive analogs of our solar system's Edgeworth–Kuiper Belt. These systems were chosen for follow-up observations to provide imaging with higher fidelity and better sensitivity for the sparse sample of solar-analog CDSs that range over two decades in systemic ages, with HD 202628 and HD 207129 (both ∼2.3 Gyr) currently the oldest CDSs imaged in visible or near-IRmore » light. These deep (10–14 ks) observations, made with six-roll point-spread-function template visible-light coronagraphy using the Space Telescope Imaging Spectrograph, were designed to better reveal their angularly large debris rings of diffuse/low surface brightness, and for all targets probe their exo-ring environments for starlight-scattering materials that present observational challenges for current ground-based facilities and instruments. Contemporaneously also observing with a narrower occulter position, these observations additionally probe the CDS endo-ring environments that are seen to be relatively devoid of scatterers. We discuss the morphological, geometrical, and photometric properties of these CDSs also in the context of other CDSs hosted by FGK stars that we have previously imaged as a homogeneously observed ensemble. From this combined sample we report a general decay in quiescent-disk F {sub disk}/ F {sub star} optical brightness ∼ t {sup −0.8}, similar to what is seen at thermal IR wavelengths, and CDSs with a significant diversity in scattering phase asymmetries, and spatial distributions of their starlight-scattering grains.« less

Towards Violation of Classical Inequalities using Quantum Dot Resonance Fluorescence

NASA Astrophysics Data System (ADS)

Peiris, Manoj

Self-assembled semiconductor quantum dots have attracted considerable interest recently, ranging from fundamental studies of quantum optics to advanced applications in the field of quantum information science. With their atom-like properties, quantum dot based nanophotonic devices may also substantially contribute to the development of quantum computers. This work presents experimental progress towards the understanding of light-matter interactions that occur beyond well-understood monochromatic resonant light scattering processes in semiconductor quantum dots. First, we report measurements of resonance fluorescence under bichromatic laser excitation. With the inclusion of a second laser, both first-order and second-order correlation functions are substantially altered. Under these conditions, the scattered light exhibits a rich spectrum containing many spectral features that lead to a range of nonlinear multiphoton dynamics. These observations are discussed and compared with a theoretical model. Second, we investigated the light scattered by a quantum dot in the presence of spectral filtering. By scanning the tunable filters placed in front of each detector of a Hanbury-Brown and Twiss setup and recording coincidence measurements, a \\two-photon spectrum" has been experimentally reconstructed for the first time. The two-photon spectrum contains a wealth of information about the cascaded emission involved in the scattering process, such as transitions occurring via virtual intermediate states. Our measurements also reveal that the scattered frequency-filtered light from a quantum dot violates the Cauchy-Schwarz inequality. Finally, Franson-interferometry has been performed using spectrally filtered light from quantum dot resonance fluorescence. Visibilities exceeding the classical limit were demonstrated by using a pair of folded Mach-Zehnder interferometers, paving the way for producing single time-energy entangled photon pairs that could violate Bell's inequalities.

Deep HST/STIS Visible-Light Imaging of Debris Systems Around Solar Analog Hosts

NASA Technical Reports Server (NTRS)

Schneider, Glenn; Grady, Carol A.; Stark, Christopher C.; Gaspar, Andras; Carson, Joseph; Debes, John H.; Henning, Thomas; Hines, Dean C.; Jang-Condell, Hannah; Kuchner, Marc J.

2016-01-01

We present new Hubble Space Telescope observations of three a priori known starlight-scattering circumstellar debris systems (CDSs) viewed at intermediate inclinations around nearby close-solar analog stars: HD 207129, HD202628, and HD 202917. Each of these CDSs possesses ring-like components that are more massive analogs of our solar systems Edgeworth Kuiper Belt. These systems were chosen for follow-up observations to provide imaging with higher fidelity and better sensitivity for the sparse sample of solar-analog CDSs that range over two decades in systemic ages, with HD 202628 and HD 207129 (both approx. 2.3 Gyr) currently the oldest CDSs imaged in visible or near-IR light. These deep (10-14 ks) observations, made with six-roll point-spread-function template visible-light coronagraphy using the Space Telescope Imaging Spectrograph, were designed to better reveal their angularly large debris rings of diffuse low surface brightness, and for all targets probe their exo-ring environments for starlight-scattering materials that present observational challenges for current ground-based facilities and instruments. Contemporaneously also observing with a narrower occulter position, these observations additionally probe the CDS endo-ring environments that are seen to be relatively devoid of scatterers. We discuss the morphological, geometrical, and photometric properties of these CDSs also in the context of other CDSs hosted by FGK stars that we have previously imaged as a homogeneously observed ensemble. From this combined sample we report a general decay in quiescent-disk F disk /F star optical brightness approx. t( exp.-0.8), similar to what is seen at thermal IR wavelengths, and CDSs with a significant diversity in scattering phase asymmetries, and spatial distributions of their starlight-scattering grains.

Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

NASA Astrophysics Data System (ADS)

Belkić, Dževad

1999-06-01

Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/ dΩ for the basic charge exchange process H ++H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Padé approximant (VPA) as a novel non-perturbative theory which is valid at all energies. This is a variationally unified T-matrix, T(VPA)i,f= T'i,f+ Si,f, comprised of a selected perturbative model T'i,f and a related stationary non-linear remainder Si,f conceived as an L2-basis set expansion of the total Green's function. The key input Si,f is a double series ∑ n1, n2Cn1n2 with bound-free atomic form factors as rational coefficients Cn1n2. Convergence of this sum is significantly accelerated by the two-dimensional Padé approximant (2D-PA) implemented through the bi-variate Wynn's epsilon ( ɛ) algorithm. The table ɛ( λ) for Si,f( λ) is evaluated at a sufficiently dense grid λ∈ Λ≡[ λmin, λmax] of any chosen variate λ, e.g. scattering angle, incident energy, coupling strength, etc. The roots λk of the inverse function E(λ)=1/ɛ(λ) directly lead to the poles of Si,f( λ) in the complex λ-plane. The availability of all λk's permits an easy obtaining of each of the magnitudes d ɛk=1/ E'(λ k) of the poles of Si,f( λ) by the Cauchy residue calculus and a mere knowledge of the first derivative E'(λ k) of E(λ k) at λk∈ Λ. This is a new signal processing method called the parametric epsilon spectral (P ɛS) estimator which opens an affordable way to powerful numerical investigations of analytical properties of transition and scattering matrices for a general process including resonance phenomena as one of the the most interesting parts of scattering.

Dynamical behavior of a single polymer chain under nanometric confinement

NASA Astrophysics Data System (ADS)

Lagrené, K.; Zanotti, J.-M.; Daoud, M.; Farago, B.; Judeinstein, P.

2010-10-01

We address the dynamical behavior of a single polymer chain under nanometric confinement. We consider a polymer melt made of a mixture of hydrogenated and deuterated high molecular mass Poly(Ethylene Oxide) (PEO). The confining material is a membrane of Anodic Aluminum Oxide (AAO), a macroscopically highly ordered confining system made of parallel cylindrical channels. We use Neutron Spin-Echo (NSE) under the Zero Average Contrast (ZAC) condition to, all at once, i) match the intense porous AAO detrimental elastic SANS (Small Angle Neutron Scattering) contribution to the total intermediate scattering function I(Q,t) and ii) measure the Q dependence of the dynamical modes of a single chain under confinement. The polymer dynamics is probed on an extremely broad spacial ([2.2 10-2 Å-1, 0.2 Å-1]) and temporal ([0.1 ns, 600 ns]) ranges. We do not detect any influence of confinement on the polymer dynamics. This result is discussed in the framework of the debate on the existence of a "corset effect" recently suggested by NMR relaxometry data.

SAXS Study of Sterically Stabilized Lipid Nanocarriers Functionalized by DNA

NASA Astrophysics Data System (ADS)

Angelov, Borislav; Angelova, Angelina; Filippov, Sergey; Karlsson, Göran; Terrill, Nick; Lesieur, Sylviane; Štěpánek, Petr

2012-03-01

The structure of novel spontaneously self-assembled plasmid DNA/lipid complexes is investigated by means of synchrotron radiation small-angle X-ray scattering (SAXS) and Cryo-TEM imaging. Liquid crystalline (LC) hydrated lipid systems are prepared using the non-ionic lipids monoolein and DOPE-PEG2000 and the cationic amphiphile CTAB. The employed plasmid DNA (pDNA) is encoding for the human protein brain-derived neurotrophic factor (BDNF). A coexistence of nanoparticulate objects with different LC inner organizations is established. A transition from bicontinuous membrane sponges, cubosome intermediates and unilamelar liposomes to multilamellar vesicles, functionalized by pDNA, is favoured upon binding and compaction of pBDNF onto the cationic PEGylated lipid nanocarriers. The obtained sterically stabilized multicompartment nanoobjects, with confined supercoiled plasmid DNA (pBDNF), are important in the context of multicompartment lipid nanocarriers of interest for gene therapy of neurodegenerative diseases.

Nature of light scattering in dental enamel and dentin at visible and near-infrared wavelengths

NASA Astrophysics Data System (ADS)

Fried, Daniel; Glena, Richard E.; Featherstone, John D. B.; Seka, Wolf

1995-03-01

The light-scattering properties of dental enamel and dentin were measured at 543, 632, and 1053 nm. Angularly resolved scattering distributions for these materials were measured from 0 deg to 180 deg using a rotating goniometer. Surface scattering was minimized by immersing the samples in an index-matching bath. The scattering and absorption coefficients and the scattering phase function were deduced by comparing the measured scattering data with angularly resolved Monte Carlo light-scattering simulations. Enamel and dentin were best represented by a linear combination of a highly forward-peaked Henyey-Greenstein (HG) phase function and an isotropic phase function. Enamel weakly scatters light between 543 nm and 1.06 mu m, with the scattering coefficient ( mu s) ranging from mu s = 15 to 105 cm-1. The phase function is a combination of a HG function with g = 0.96 and a 30-60% isotropic phase function. For enamel, absorption is negligible. Dentin scatters strongly in the visible and near IR ( mu s approximately equals 260 cm-1) and absorbs weakly ( mu a approximately equals 4 cm-1). The scattering phase function for dentin is described by a HG function with g = 0.93 and a very weak isotropic scattering component ( approximately 2%).

The thermally reversing window in ternary GexPxS1-2x glasses

NASA Astrophysics Data System (ADS)

Vempati, U.; Boolchand, P.

2004-11-01

GexPxS1-2x glasses in the compositional range 0.05 \\le x \\le 0.19 have been synthesized and examined in temperature modulated differential scanning calorimetry (MDSC) and Raman scattering experiments. Trends in the non-reversing enthalpy ΔHnr(x) near Tg show the term to almost vanish in the 0.090(5)0.135. In analogy to previous results on chalcogenide glasses, we identify compositions at x<0.09 to be elastically floppy, those in the 0.0900.135 to be stressed rigid. MDSC results also show that the ΔHnr term ages in the stressed-rigid and floppy phases but not in the intermediate phase. The intermediate phase is viewed to be a self-organized phase of a disordered network. It consists of at least four isostatically rigid local structures: corner-sharing GeS4, edge-sharing GeS2, pyramidal P(S1/2)3 and quasi-tetrahedral S = P(S1/2)3 units for which evidence comes from Raman scattering. The latter method also shows the existence of P4S7 and P4S10 molecules in the glasses segregated from the backbone. These aspects of structure contribute to an intermediate phase that is significantly narrower in width than in the corresponding selenide glasses.

Effects of counterion valency on the damping of phonons propagating along the axial direction of liquid-crystalline DNA

NASA Astrophysics Data System (ADS)

Liu, Yun; Chen, Sow-Hsin; Berti, Debora; Baglioni, Piero; Alatas, Ahmet; Sinn, Harald; Alp, Ercan; Said, Ayman

2005-12-01

The phonon propagation and damping along the axial direction of films of aligned 40wt% calf-thymus DNA rods are studied by inelastic x-ray scattering (IXS). The IXS spectra are analyzed with the generalized three effective eigenmode theory, from which we extract the dynamic structure factor S (Q,E) as a function of transferred energy E =ℏω, and the magnitude of the transferred wave vector Q. S (Q,E) of a DNA sample typically consists of three peaks, one central Rayleigh scattering peak, and two symmetric Stokes and anti-Stokes Brillouin side peaks. By analyzing the Brillouin peaks, the phonon excitation energy and damping can be extracted at different Q values from about 4 to 30nm-1. A high-frequency sound speed is obtained from the initial slope of the linear portion of the dispersion relation below Q =4nm-1. The high-frequency sound speed obtained in this Q range is 3100m /s, which is about twice faster than the ultrasound speed of 1800m/s, measured by Brillouin light scattering at Q ˜0.01nm-1 at the similar hydration level. Our observations provide further evidence of the strong coupling between the internal dynamics of a DNA molecule and the dynamics of the solvent. The effect on damping and propagation of phonons along the axial direction of DNA rods due to divalent and trivalent counterions has been studied. It is found that the added multivalent counterions introduce stronger phonon damping. The phonons at the range between ˜12.5 and ˜22.5nm-1 are overdamped by the added counterions according to our model analyses. The intermediate scattering function is extracted and it shows a clear two-step relaxation with the fast relaxation time ranging from 0.1 to 4ps.

Scatter correction, intermediate view estimation and dose characterization in megavoltage cone-beam CT imaging

NASA Astrophysics Data System (ADS)

Sramek, Benjamin Koerner

The ability to deliver conformal dose distributions in radiation therapy through intensity modulation and the potential for tumor dose escalation to improve treatment outcome has necessitated an increase in localization accuracy of inter- and intra-fractional patient geometry. Megavoltage cone-beam CT imaging using the treatment beam and onboard electronic portal imaging device is one option currently being studied for implementation in image-guided radiation therapy. However, routine clinical use is predicated upon continued improvements in image quality and patient dose delivered during acquisition. The formal statement of hypothesis for this investigation was that the conformity of planned to delivered dose distributions in image-guided radiation therapy could be further enhanced through the application of kilovoltage scatter correction and intermediate view estimation techniques to megavoltage cone-beam CT imaging, and that normalized dose measurements could be acquired and inter-compared between multiple imaging geometries. The specific aims of this investigation were to: (1) incorporate the Feldkamp, Davis and Kress filtered backprojection algorithm into a program to reconstruct a voxelized linear attenuation coefficient dataset from a set of acquired megavoltage cone-beam CT projections, (2) characterize the effects on megavoltage cone-beam CT image quality resulting from the application of Intermediate View Interpolation and Intermediate View Reprojection techniques to limited-projection datasets, (3) incorporate the Scatter and Primary Estimation from Collimator Shadows (SPECS) algorithm into megavoltage cone-beam CT image reconstruction and determine the set of SPECS parameters which maximize image quality and quantitative accuracy, and (4) evaluate the normalized axial dose distributions received during megavoltage cone-beam CT image acquisition using radiochromic film and thermoluminescent dosimeter measurements in anthropomorphic pelvic and head and neck phantoms. The conclusions of this investigation were: (1) the implementation of intermediate view estimation techniques to megavoltage cone-beam CT produced improvements in image quality, with the largest impact occurring for smaller numbers of initially-acquired projections, (2) the SPECS scatter correction algorithm could be successfully incorporated into projection data acquired using an electronic portal imaging device during megavoltage cone-beam CT image reconstruction, (3) a large range of SPECS parameters were shown to reduce cupping artifacts as well as improve reconstruction accuracy, with application to anthropomorphic phantom geometries improving the percent difference in reconstructed electron density for soft tissue from -13.6% to -2.0%, and for cortical bone from -9.7% to 1.4%, (4) dose measurements in the anthropomorphic phantoms showed consistent agreement between planar measurements using radiochromic film and point measurements using thermoluminescent dosimeters, and (5) a comparison of normalized dose measurements acquired with radiochromic film to those calculated using multiple treatment planning systems, accelerator-detector combinations, patient geometries and accelerator outputs produced a relatively good agreement.

Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase.

PubMed

Onuk, Emre; Badger, John; Wang, Yu Jing; Bardhan, Jaydeep; Chishti, Yasmin; Akcakaya, Murat; Brooks, Dana H; Erdogmus, Deniz; Minh, David D L; Makowski, Lee

2017-08-29

Crystal structures of adenylate kinase (AdK) from Escherichia coli capture two states: an "open" conformation (apo) obtained in the absence of ligands and a "closed" conformation in which ligands are bound. Other AdK crystal structures suggest intermediate conformations that may lie on the transition pathway between these two states. To characterize the transition from open to closed states in solution, X-ray solution scattering data were collected from AdK in the apo form and with progressively increasing concentrations of five different ligands. Scattering data from apo AdK are consistent with scattering predicted from the crystal structure of AdK in the open conformation. In contrast, data from AdK samples saturated with Ap5A do not agree with that calculated from AdK in the closed conformation. Using cluster analysis of available structures, we selected representative structures in five conformational states: open, partially open, intermediate, partially closed, and closed. We used these structures to estimate the relative abundances of these states for each experimental condition. X-ray solution scattering data obtained from AdK with AMP are dominated by scattering from AdK in the open conformation. For AdK in the presence of high concentrations of ATP and ADP, the conformational ensemble shifts to a mixture of partially open and closed states. Even when AdK is saturated with Ap5A, a significant proportion of AdK remains in a partially open conformation. These results are consistent with an induced-fit model in which the transition of AdK from an open state to a closed state is initiated by ATP binding.

Crystallization Caught in the Act with Terahertz Spectroscopy: Non-Classical Pathway for l-(+)-Tartaric Acid.

PubMed

Soltani, Amin; Gebauer, Denis; Duschek, Lennart; Fischer, Bernd M; Cölfen, Helmut; Koch, Martin

2017-10-12

Crystal formation is a highly debated problem. This report shows that the crystallization of l-(+)-tartaric acid from water follows a non-classical path involving intermediate hydrated states. Analytical ultracentrifugation indicates solution clusters of the initial stages aggregate to form an early intermediate. Terahertz spectroscopy performed during water evaporation highlights a transient increase in the absorption during nucleation; this indicates the recurrence of water molecules that are expelled from the intermediate phase. Besides, a transient resonance at 750 GHz, which can be assigned to a natural vibration of large hydrated aggregates, vanishes after the final crystal has formed. Furthermore, THz data reveal the vibration of nanosized clusters in the dilute solution indicated by analytical ultracentrifugation. Infrared spectroscopy and wide-angle X-ray scattering highlight that the intermediate is not a crystalline hydrate. These results demonstrate that nanoscopic intermediate units assemble to form the first solvent-free crystalline nuclei upon dehydration. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Intermediate-valence state of the Sm and Eu in SmB6 and EuCu2Si2: neutron spectroscopy data and analysis

NASA Astrophysics Data System (ADS)

Savchenkov, P. S.; Alekseev, P. A.; Podlesnyak, A.; Kolesnikov, A. I.; Nemkovski, K. S.

2018-02-01

Magnetic neutron scattering data for Sm (SmB6, Sm(Y)S) and Eu (EuCu2Si2-x Ge x ) intermediate-valence compounds have been analysed in terms of a generalized model of the intermediate-radius exciton. Special attention is paid to the correlation between the average ion’s valence and parameters of the low-energy excitation in the neutron spectra, such as the resonance mode, including its magnetic form factor. Along with specific features of the formation of the intermediate-valence state for Sm and Eu ions, common physical mechanisms have been revealed for systems based on these elements from the middle of the rare-earth series. A consistent description of the existing experimental data has been obtained by using the concept of a loosely bound hole for the Eu f-electron shell in the intermediate-valence state, in analogy with the previously established loosely bound electron model for the Sm ion.

Time Domain Version of the Uniform Geometrical Theory of Diffraction

NASA Astrophysics Data System (ADS)

Rousseau, Paul R.

1995-01-01

A time domain (TD) version of the uniform geometrical theory of diffraction which is referred to as the TD-UTD is developed to analyze the transient electromagnetic scattering from perfectly conducting objects that are large in terms of pulse width. In particular, the scattering from a perfectly conducting arbitrary curved wedge and an arbitrary smooth convex surface are treated in detail. Note that the canonical geometries of a circular cylinder and a sphere are special cases of the arbitrary smooth convex surface. These TD -UTD solutions are obtained in the form of relatively simple analytical expressions valid for early to intermediate times. The geometries treated here can be used to build up a transient solution to more complex radiating objects via space-time localization, in exactly the same way as is done by invoking spatial localization properties in the frequency domain UTD. The TD-UTD provides the response due to an excitation of a general astigmatic impulsive wavefront with any polarization. This generalized impulse response may then be convolved with other excitation time pulses, to find even more general solutions due to other excitation pulses. Since the TD-UTD uses the same rays as the frequency domain UTD, it provides a simple picture for transient radiation or scattering and is therefore just as physically appealing as the frequency domain UTD. The formulation of an analytic time transform (ATT), which produces an analytic time signal given a frequency response function, is given here. This ATT is used because it provides a very efficient method of inverting the asymptotic high frequency UTD representations to obtain the corresponding TD-UTD expressions even when there are special UTD transition functions which may not be well behaved at the low frequencies; also, using the ATT avoids the difficulties associated with the inversion of UTD ray fields that traverse line or smooth caustics. Another useful aspect of the ATT is the ability to perform an efficient convolution with a broad class of excitation pulse functions, where the frequency response of the excitation function must be expressed as a summation of complex exponential functions.

Synchrotron radiation-based quasi-elastic scattering using time-domain interferometry with multi-line gamma rays.

PubMed

Saito, Makina; Masuda, Ryo; Yoda, Yoshitaka; Seto, Makoto

2017-10-02

We developed a multi-line time-domain interferometry (TDI) system using 14.4 keV Mössbauer gamma rays with natural energy widths of 4.66 neV from 57 Fe nuclei excited using synchrotron radiation. Electron density fluctuations can be detected at unique lengths ranging from 0.1 nm to a few nm on time scales from several nanoseconds to the sub-microsecond order by quasi-elastic gamma-ray scattering (QGS) experiments using multi-line TDI. In this report, we generalize the established expression for a time spectrum measured using an identical single-line gamma-ray emitter pair to the case of a nonidentical pair of multi-line gamma-ray emitters by considering the finite energy width of the incident synchrotron radiation. The expression obtained illustrates the unique characteristics of multi-line TDI systems, where the finite incident energy width and use of a nonidentical emitter pair produces further information on faster sub-picosecond-scale dynamics in addition to the nanosecond dynamics; this was demonstrated experimentally. A normalized intermediate scattering function was extracted from the spectrum and its relaxation form was determined for a relaxation time of the order of 1 μs, even for relatively large momentum transfer of ~31 nm -1 . The multi-line TDI method produces a microscopic relaxation picture more rapidly and accurately than conventional single-line TDI.

Critical Intermediate Structure That Directs the Crystalline Texture and Surface Morphology of Organo-Lead Trihalide Perovskite.

PubMed

Chia, Hao-Chung; Sheu, Hwo-Shuenn; Hsiao, Yu-Yun; Li, Shao-Sian; Lan, Yi-Kang; Lin, Chung-Yao; Chang, Je-Wei; Kuo, Yen-Chien; Chen, Chia-Hao; Weng, Shih-Chang; Su, Chun-Jen; Su, An-Chung; Chen, Chun-Wei; Jeng, U-Ser

2017-10-25

We have identified an often observed yet unresolved intermediate structure in a popular processing with dimethylformamide solutions of lead chloride and methylammonium iodide for perovskite solar cells. With subsecond time-resolved grazing-incidence X-ray scattering and X-ray photoemission spectroscopy, supplemental with ab initio calculation, the resolved intermediate structure (CH 3 NH 3 ) 2 PbI 2 Cl 2 ·CH 3 NH 3 I features two-dimensional (2D) perovskite bilayers of zigzagged lead-halide octahedra and sandwiched CH 3 NH 3 I layers. Such intermediate structure reveals a hidden correlation between the intermediate phase and the composition of the processing solution. Most importantly, the 2D perovskite lattice of the intermediate phase is largely crystallographically aligned with the [110] planes of the three-dimensional perovskite cubic phase; consequently, with sublimation of Cl ions from the organo-lead octahedral terminal corners in prolonged annealing, the zigzagged octahedral layers of the intermediate phase can merge with the intercalated methylammonium iodide layers for templated growth of perovskite crystals. Regulated by annealing temperature and the activation energies of the intermediate and perovskite, deduced from analysis of temperature-dependent structural kinetics, the intermediate phase is found to selectively mature first and then melt along the layering direction for epitaxial conversion into perovskite crystals. The unveiled epitaxial conversion under growth kinetics controls might be general for solution-processed and intermediate-templated perovskite formation.

Diffraction of electrons at intermediate energies: The role of phonons

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

Ascolani, H.; Zampieri, G.

1996-07-01

The intensity of electrons reflected {open_quote}{open_quote}elastically{close_quote}{close_quote} from crystalline surfaces presents two regimes: the low-energy or LEED regime ({lt}500 eV), in which the electrons are reflected along the Bragg directions, and the intermediate-energy or XPD/AED regime ({gt}500 eV), in which the maxima of intensity are along the main crystallographic axes. We present a model which explains this transition in terms of the excitation/absorption of phonons during the scattering. {copyright} {ital 1996 American Institute of Physics.}

Magnetic domain formation in monolayer nanoparticle films

NASA Astrophysics Data System (ADS)

Maranville, Brian; Krycka, Kathryn; Borchers, Julie; Hogg, Charles; Majetich, Sara; Ijiri, Yumi

2009-03-01

Self-assembled magnetic nanoparticle films offer promise as data storage media, but an understanding of the interactions is missing. Modified Langmuir-Blodgett methods were used to prepare monolayer films of 7 and 11 nm diameter Fe3O4 nanoparticles with large structural domains. Small-angle neutron scattering (SANS) shows a peak at a wavevector Q corresponding to the particle size and spacing, and scattering at intermediate Q indicating possible long-range correlations. We extend to lower Q with off-specular neutron reflectivity, achieving high intensity by sacrificing resolution along one in-plane direction y while retaining high resolution in the other in-plane direction x and the normal direction z. We measure in saturation and zero field to extract magnetic scattering. In high fields, the specular scattering (Qx=0) is increased, consistent with aligned moments. Preliminary results show weak magnetic scattering for nonzero Qx . Since the maximal Qx roughly corresponds to the lowest Q in SANS, the combination of these techniques allows us to quantify field-dependent magnetic domain size.

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

Yokosawa, Akihiko

Experimental results are reviewed on polarization phenomena in nucleon-nucleon scattering at intermediate energies. The present status of S = 0 dibaryon resonances is presented. The status of the Fermilab polarized beam program is presented, including the construction of polarized beam, two polarimeters being installed in the experimental hall, and the experimental program. (LEW)

Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO 2 Nanocrystals and Its Implication on Photocatalytic Activity

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

Liu, Jue; Olds, Daniel; Peng, Rui

The atomistic structure and morphology (shape and size) of nanomaterials have strong influences on their physical and chemical properties. However, many characterization techniques focus exclusively on one length-scale regime or another when developing quantitative morphology/structural models. In this article, we demonstrate that powder X-ray diffraction and neutron pair distribution function (PDF) can be used to obtain accurate average morphology and atomistic structure of {001} and {101} faceted anatase TiO 2 nanocrystals based on differential evolution refinements using Debye scattering equation calculations. It is also demonstrated that the morphology polydispersity of TiO 2 nanocrystals can be effectively obtained from the diffractionmore » data via a numerical refinement routine. The morphology refinement results are in good agreement with those from transmission electron microscopy and the modeling of small angle neutron scattering data. This method is successfully used to quantify the facet-specified photocatalytic hydrogen evolution activity of anatase TiO 2 nanocrystals with different {001} to {101} ratios. It is found that the sample with an intermediate amount of both {001} and {101} facets shows the best photocatalytic hydrogen evolution reaction (HER) activity. It is expected that the simultaneous structure and morphology refinement technique can be generally used to study the relationship between morphology and functionality of nanomaterials.« less

Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO 2 Nanocrystals and Its Implication on Photocatalytic Activity

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

Liu, Jue; Olds, Daniel; Peng, Rui

The atomistic structure and morphology (shape and size) of nanomaterials have strong influences on their physical and chemical properties. However, many characterization techniques focus exclusively on one length-scale regime or another when developing quantitative morphology/structural models. In this article, we demonstrate that powder X-ray diffraction and neutron pair distribution function (PDF) can be used to obtain accurate average morphology and atomistic structure of {001} and {101} faceted anatase TiO 2 nanocrystals based on differential evolution refinements using Debye scattering equation calculations. It is also demonstrated that the morphology polydispersity of TiO 2 nanocrystals can be effectively obtained from the diffractionmore » data via a numerical refinement routine. The morphology refinement results are in good agreement with those from transmission electron microscopy and the modeling of small angle neutron scattering data. This method is successfully used to quantify the facet-specified photocatalytic hydrogen evolution activity of anatase TiO 2 nanocrystals with different {001} to {101} ratios. It is found that the sample with an intermediate amount of both {001} and {101} facets shows the best photocatalytic hydrogen evolution reaction (HER) activity. As a result, it is expected that the simultaneous structure and morphology refinement technique can be generally used to study the relationship between morphology and functionality of nanomaterials.« less

Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO 2 Nanocrystals and Its Implication on Photocatalytic Activity

DOE PAGES

Liu, Jue; Olds, Daniel; Peng, Rui; ...

2017-06-14

The atomistic structure and morphology (shape and size) of nanomaterials have strong influences on their physical and chemical properties. However, many characterization techniques focus exclusively on one length-scale regime or another when developing quantitative morphology/structural models. In this article, we demonstrate that powder X-ray diffraction and neutron pair distribution function (PDF) can be used to obtain accurate average morphology and atomistic structure of {001} and {101} faceted anatase TiO 2 nanocrystals based on differential evolution refinements using Debye scattering equation calculations. It is also demonstrated that the morphology polydispersity of TiO 2 nanocrystals can be effectively obtained from the diffractionmore » data via a numerical refinement routine. The morphology refinement results are in good agreement with those from transmission electron microscopy and the modeling of small angle neutron scattering data. This method is successfully used to quantify the facet-specified photocatalytic hydrogen evolution activity of anatase TiO 2 nanocrystals with different {001} to {101} ratios. It is found that the sample with an intermediate amount of both {001} and {101} facets shows the best photocatalytic hydrogen evolution reaction (HER) activity. As a result, it is expected that the simultaneous structure and morphology refinement technique can be generally used to study the relationship between morphology and functionality of nanomaterials.« less

The nature of photoinduced phase transition and metastable states in vanadium dioxide

DOE PAGES

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; ...

2016-12-16

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO 2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M 2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picosecondsmore » at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.« less

The nature of photoinduced phase transition and metastable states in vanadium dioxide

PubMed Central

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

2016-01-01

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium. PMID:27982066

Electronic transport properties of intermediately coupled superconductors: PdTe2 and Cu0.04PdTe2

NASA Astrophysics Data System (ADS)

Hooda, M. K.; Yadav, C. S.

2018-01-01

We have investigated the electrical resistivity (1.8-480 K), Seebeck coefficient (2.5-300 K) and thermal conductivity (2.5-300 K) of PdTe2 and 4% Cu intercalated PdTe2 compounds. The electrical resistivity for the compounds shows a Bloch-Gruneisen-type linear temperature (T) dependence for 100 \\text{K}, and Fermi liquid behavior (ρ (T) \\propto T2) for T<50 \\text{K} . Seebeck coefficient data exhibit a strong competition between Normal (N) and Umklapp (U) scattering processes at low T. The low-T, thermal conductivity (κ) of the compounds is strongly dominated by the electronic contribution, and exhibits a rare linear T-dependence below 10 K. However, high-T, κ (T) shows the usual 1/T -dependence, dominated by the U-scattering process. The electron-phonon coupling parameters, estimated from the low-T, specific-heat data and first-principle electronic structure calculations suggest that PdTe2 and Cu0.04PdTe2 are intermediately coupled superconductors.

The nature of photoinduced phase transition and metastable states in vanadium dioxide

NASA Astrophysics Data System (ADS)

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

2016-12-01

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.

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

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO 2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M 2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picosecondsmore » at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.« less

Emergent causality and the N-photon scattering matrix in waveguide QED

NASA Astrophysics Data System (ADS)

Sánchez-Burillo, E.; Cadarso, A.; Martín-Moreno, L.; García-Ripoll, J. J.; Zueco, D.

2018-01-01

In this work we discuss the emergence of approximate causality in a general setup from waveguide QED—i.e. a one-dimensional propagating field interacting with a scatterer. We prove that this emergent causality translates into a structure for the N-photon scattering matrix. Our work builds on the derivation of a Lieb-Robinson-type bound for continuous models and for all coupling strengths, as well as on several intermediate results, of which we highlight: (i) the asymptotic independence of space-like separated wave packets, (ii) the proper definition of input and output scattering states, and (iii) the characterization of the ground state and correlations in the model. We illustrate our formal results by analyzing the two-photon scattering from a quantum impurity in the ultrastrong coupling regime, verifying the cluster decomposition and ground-state nature. Besides, we generalize the cluster decomposition if inelastic or Raman scattering occurs, finding the structure of the S-matrix in momentum space for linear dispersion relations. In this case, we compute the decay of the fluorescence (photon-photon correlations) caused by this S-matrix.

Determination of the pion-nucleon coupling constant and scattering lengths

NASA Astrophysics Data System (ADS)

Ericson, T. E.; Loiseau, B.; Thomas, A. W.

2002-07-01

We critically evaluate the isovector Goldberger-Miyazawa-Oehme (GMO) sum rule for forward πN scattering using the recent precision measurements of π-p and π-d scattering lengths from pionic atoms. We deduce the charged-pion-nucleon coupling constant, with careful attention to systematic and statistical uncertainties. This determination gives, directly from data, g2c(GMO)/ 4π=14.11+/-0.05(statistical)+/-0.19(systematic) or f2c/4π=0.0783(11). This value is intermediate between that of indirect methods and the direct determination from backward np differential scattering cross sections. We also use the pionic atom data to deduce the coherent symmetric and antisymmetric sums of the pion-proton and pion-neutron scattering lengths with high precision, namely, (aπ-p+aπ-n)/2=[- 12+/-2(statistical)+/-8(systematic)]×10-4 m-1π and (aπ-p-aπ- n)/2=[895+/-3(statistical)+/-13 (systematic)]×10-4 m-1π. For the need of the present analysis, we improve the theoretical description of the pion-deuteron scattering length.

Energy Efficiency of a New Trifocal Intraocular Lens

NASA Astrophysics Data System (ADS)

Vega, F.; Alba-Bueno, F.; Millán, M. S.

2014-01-01

The light distribution among the far, intermediate and near foci of a new trifocal intraocular lens (IOL) is experimentally determined, as a function of the pupil size, from image analysis. The concept of focus energy efficiency is introduced because, in addition to the theoretical diffraction efficiency of the focus, it accounts for other factors that are naturally presented in the human eye such as the level of spherical aberration (SA) upon the IOL, light scattering at the diffractive steps or the depth of focus. The trifocal IOL is tested in-vitro in two eye models: the aberration-free ISO model, and a so called modified-ISO one that uses an artificial cornea with positive spherical SA in instead. The SA upon the IOL is measured with a Hartmann-Shack sensor and compared to the values of theoretical eye models. The results show, for large pupils, a notorious reduction of the energy efficiency of the far and near foci of the trifocal IOL due to two facts: the level of SA upon the IOL is larger than the value the lens is able to compensate for and there is significant light scattering at the diffractive steps. On the other hand, the energy efficiency of the intermediate focus for small pupils is enhanced by the contribution of the extended depth of focus of the near and far foci. Thus, while IOLs manufacturers tend to provide just the theoretical diffraction efficiency of the foci to show which would be the performance of the lens in terms of light distribution among the foci, our results put into evidence that this is better described by using the energy efficiency of the foci.

Proton dynamics in oxides: insight into the mechanics of proton conduction from quasielastic neutron scattering.

PubMed

Karlsson, Maths

2015-01-07

This article is concerned with the use of quasielastic neutron scattering as a technique for investigation of the dynamical properties of proton conducting oxides. Currently, the main interest in these materials comes from their promise as electrolytes in future electrochemical devices and particularly through their use as electrolytes in next-generation, intermediate-temperature, fuel cells. However, the realization of such devices depends critically on the development of new, more highly proton conducting oxides. Such a development depends on increasing the current understanding of proton conduction in oxides and for this purpose quasielastic neutron scattering is an important mean. The aim of this article is to introduce the non-specialist reader to the basic principles of quasielastic neutron scattering, its advantages and disadvantages, to summarize the work that has been done on proton conducting oxides using this technique, as well as to discuss future opportunities within this field of research.

Absolute Negative Resistance Induced by Directional Electron-Electron Scattering in a Two-Dimensional Electron Gas

NASA Astrophysics Data System (ADS)

Kaya, Ismet I.

2007-03-01

A ballistic conductor is restricted to have positive three terminal resistance just as a Drude conductor. Intercarrier scattering does not influence the conductivity of the latter transport regime and does not exist in the former. However, as the electron energies increased, in the intermediate regime, single or few intercarrier scattering events starts to dominate the transport properties of a conductor with sufficiently small dimensions. A three-terminal device formed by two electrostatic barriers crossing an asymmetrically patterned two dimensional electron gas displays an unusual potential depression at the middle contact, yielding absolute negative resistance. The device displays momentum and current transfer ratios that far exceed unity. The observed reversal of the current or potential in the middle terminal is interpreted as the analog of Bernoulli's effect in a Fermi liquid. The results are explained by directional scattering of electrons in two dimensions.

Quantum scattering beyond the plane-wave approximation

NASA Astrophysics Data System (ADS)

Karlovets, Dmitry

2017-12-01

While a plane-wave approximation in high-energy physics works well in a majority of practical cases, it becomes inapplicable for scattering of the vortex particles carrying orbital angular momentum, of Airy beams, of the so-called Schrödinger cat states, and their generalizations. Such quantum states of photons, electrons and neutrons have been generated experimentally in recent years, opening up new perspectives in quantum optics, electron microscopy, particle physics, and so forth. Here we discuss the non-plane-wave effects in scattering brought about by the novel quantum numbers of these wave packets. For the well-focused electrons of intermediate energies, already available at electron microscopes, the corresponding contribution can surpass that of the radiative corrections. Moreover, collisions of the cat-like superpositions of such focused beams with atoms allow one to probe effects of the quantum interference, which have never played any role in particle scattering.

Nonrelativistic quantum theory of the contact inelastic scattering of an x-ray photon by an atom

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

Hopersky, Alexey N.; Nadolinsky, Alexey M.

The nonrelativistic analytical structure of the doubly differential cross section of the contact inelastic scattering of an x-ray photon by a free atom is determined by means of the irreducible tensor operator theory outside the frame of the impulse approximation. For the neon atom in the vicinity of the 1s shell ionization threshold our theory predicts the existence of the distinct fine structure of the cross section caused by transitions of the atomic core electrons into the excited discrete spectrum states. The results of our calculations with inclusion of the effects of radial relaxation, inelastic scattering through the intermediate states,more » and elastic Rayleigh scattering, are predictions, while at the 22 keV incident photons they compare well with the synchrotron experiment by Jung et al. [Phys. Rev. Lett. 81, 1596 (1998)].« less

Chapter 6 Quantum Mechanical Methods for Loss-Excitation and Loss-Ionization in Fast Ion-Atom Collisions

NASA Astrophysics Data System (ADS)

Belkic, Dzevad

Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on quantum mechanical perturbation theories applied to electron loss collisions involving two hydrogen-like atoms. Both the one- and two-electron transitions (target unaffected by collision, as well as loss-ionization) are thoroughly examined in various intervals of impact energies varying from the threshold via the Massey peak to the Bethe asymptotic region. Systematics are established for the fast, simple, and accurate computations of cross sections for loss-excitation and loss-ionization accounting for the entire spectra of all four particles, including two free electrons and two free protons. The expounded algorithmic strategy of quantum mechanical methodologies is of great importance for wide applications to particle transport physics, especially in fusion research and hadron radiotherapy. This should advantageously replace the current overwhelming tendency in these fields for using phenomenological modeling with artificial functions extracted from fitting the existing experimental/theoretical data bases for cross sections.

Foveolar Müller Cells of the Pied Flycatcher: Morphology and Distribution of Intermediate Filaments Regarding Cell Transparency.

PubMed

Zueva, Lidia; Golubeva, Tatiana; Korneeva, Elena; Makarov, Vladimir; Khmelinskii, Igor; Inyushin, Mikhail

2016-04-01

Specialized intermediate filaments (IFs) have critical importance for the clearness and uncommon transparency of vertebrate lens fiber cells, although the physical mechanisms involved are poorly understood. Recently, an unusual low-scattering light transport was also described in retinal Müller cells. Exploring the function of IFs in Müller cells, we have studied the morphology and distribution pattern of IFs and other cytoskeletal filaments inside the Müller cell main processes in the foveolar part of the avian (pied flycatcher) retina. We found that some IFs surrounded by globular nanoparticles (that we suggest are crystallines) are present in almost every part of the Müller cells that span the retina, including the microvilli. Unlike IFs implicated in the mechanical architecture of the cell, these IFs are not connected to any specific cellular membranes. Instead, they are organized into bundles, passing inside the cell from the endfeet to the photoreceptor, following the geometry of the processes, and repeatedly circumventing numerous obstacles. We believe that the presently reported data effectively confirm that the model of nanooptical channels built of the IFs may provide a viable explanation of Müller cell transparency.

Light-Nuclei Spectra from Chiral Dynamics

NASA Astrophysics Data System (ADS)

Piarulli, M.; Baroni, A.; Girlanda, L.; Kievsky, A.; Lovato, A.; Lusk, Ewing; Marcucci, L. E.; Pieper, Steven C.; Schiavilla, R.; Viviani, M.; Wiringa, R. B.

2018-02-01

In recent years local chiral interactions have been derived and implemented in quantum Monte Carlo methods in order to test to what extent the chiral effective field theory framework impacts our knowledge of few- and many-body systems. In this Letter, we present Green's function Monte Carlo calculations of light nuclei based on the family of local two-body interactions presented by our group in a previous paper in conjunction with chiral three-body interactions fitted to bound- and scattering-state observables in the three-nucleon sector. These interactions include Δ intermediate states in their two-pion-exchange components. We obtain predictions for the energy levels and level ordering of nuclei in the mass range A =4 - 12 , accurate to ≤2 % of the binding energy, in very satisfactory agreement with experimental data.

Pressure-Induced Structural Phase Transition in CeNi: X-ray and Neutron Scattering Studies and First-Principles Calculations

DOE PAGES

Mirmelstein, A.; Podlesnyak, Andrey A.; dos Santos, Antonio M.; ...

2015-08-03

The pressure-induced structural phase transition in the intermediate-valence compound CeNi has been investigated by x-ray and neutron powder diffraction techniques. It is shown that the structure of the pressure-induced CeNi phase (phases) can be described in terms of the Pnma space group. Equations of state for CeNi on both sides of the phase transition are derived and an approximate P-T phase diagram is suggested for P<8 GPa and T<300 K. The observed Cmcm→Pnma structural transition is then analyzed using density functional theory calculations, which successfully reproduce the ground state volume, the phase transition pressure, and the volume collapse associated withmore » the phase transition.« less

Edible oil structures at low and intermediate concentrations. I. Modeling, computer simulation, and predictions for X ray scattering

NASA Astrophysics Data System (ADS)

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

2013-12-01

Triacylglycerols (TAGs) are biologically important molecules which form the recently discovered highly anisotropic crystalline nanoplatelets (CNPs) and, ultimately, the large-scale fat crystal networks in edible oils. Identifying the hierarchies of these networks and how they spontaneously self-assemble is important to understanding their functionality and oil binding capacity. We have modelled CNPs and studied how they aggregate under the assumption that all CNPs are present before aggregation begins and that their solubility in the liquid oil is very low. We represented CNPs as rigid planar arrays of spheres with diameter ≈50 nm and defined the interaction between spheres in terms of a Hamaker coefficient, A, and a binding energy, VB. We studied three cases: weak binding, |VB|/kBT ≪ 1, physically realistic binding, VB = Vd(R, Δ), so that |VB|/kBT ≈ 1, and Strong binding with |VB|/kBT ≫ 1. We divided the concentration of CNPs, ϕ, with 0≤ϕ= 10-2 (solid fat content) ≤1, into two regions: Low and intermediate concentrations with 0<ϕ<0.25 and high concentrations with 0.25 < ϕ and considered only the first case. We employed Monte Carlo computer simulation to model CNP aggregation and analyzed them using static structure functions, S(q). We found that strong binding cases formed aggregates with fractal dimension, D, 1.7≤D ≤1.8, in accord with diffusion limited cluster-cluster aggregation (DLCA) and weak binding formed aggregates with D =3, indicating a random distribution of CNPs. We found that models with physically realistic intermediate binding energies formed linear multilayer stacks of CNPs (TAGwoods) with fractal dimension D =1 for ϕ =0.06,0.13, and 0.22. TAGwood lengths were greater at lower ϕ than at higher ϕ, where some of the aggregates appeared as thick CNPs. We increased the spatial scale and modelled the TAGwoods as rigid linear arrays of spheres of diameter ≈500 nm, interacting via the attractive van der Waals interaction. We found that TAGwoods aggregated via DLCA into clusters with fractal dimension D =1.7-1.8. As the simulations were run further, TAGwoods relaxed their positions in order to maximize the attractive interaction making the process look like reaction limited cluster-cluster aggregation with the fractal dimension increasing to D =2.0-2.1. For higher concentrations of CNPs, many TAGwood clusters were formed and, because of their weak interactions, were distributed randomly with D =3.0. We summarize the hierarchy of structures and make predictions for X-ray scattering.

Interplay of Structure and Dynamics in Biomaterials

NASA Astrophysics Data System (ADS)

Vodnala, Preeti

Study of structure and dynamic behavior is essential to understand molecular motions in biological systems. In this work, two biomaterials were studied to address membrane properties and protein diffusion. For the first project, we studied the structure of liposomes, artificial vesicles that are used for drug encapsulation and administration of pharmaceuticals or cellular nutrients. Small-angle x-ray scattering (SAXS) was used to determine the structural properties of different liposomes composed of egg-PC and cholesterol bilayer. We examined the location of cholesterol by labelling cholesterol with bromine molecule and reveal that cholesterol is located one side of the leaflet adjusting itself to the curvature of a liposome. In my second project, we studied the dynamics of concentrated suspensions of alpha crystallin, one of the most abundant proteins in the human eye lens using X-ray photon correlation spectroscopy (XPCS). An improved understanding of dynamics could point the way towards treatments presbyopia and cataract. The dynamics were measured at volume fraction close to the critical volume fraction for the glass transition, where the intermediate scattering function, ƒ(q,T) could be well fit using a double exponential decay. The measured relaxation is in reasonable agreement with published molecular dynamics simulations for the relaxation times of hard-sphere colloids.

Rouse mode analysis of chain relaxation in polymer nanocomposites

DOE PAGES

Kalathi, Jagannathan T.; Kumar, Sanat K.; Rubinstein, Michael; ...

2015-04-20

Large-scale molecular dynamics simulations are used to study the internal relaxations of chains in nanoparticle (NP)/polymer composites. We examine the Rouse modes of the chains, a quantity that is closest in spirit to the self-intermediate scattering function, typically determined in an (incoherent) inelastic neutron scattering experiment. Our simulations show that for weakly interacting mixtures of NPs and polymers, the effective monomeric relaxation rates are faster than in a neat melt when the NPs are smaller than the entanglement mesh size. In this case, the NPs serve to reduce both the monomeric friction and the entanglements in the polymer melt, asmore » in the case of a polymer–solvent system. However, for NPs larger than half the entanglement mesh size, the effective monomer relaxation is essentially unaffected for low NP concentrations. Even in this case, we observe a strong reduction in chain entanglements for larger NP loadings. Furthermore, the role of NPs is to always reduce the number of entanglements, with this effect only becoming pronounced for small NPs or for high concentrations of large NPs. Our studies of the relaxation of single chains resonate with recent neutron spin echo (NSE) experiments, which deduce a similar entanglement dilution effect.« less

State-to-state reaction dynamics of 18O+32O2 studied by a time-dependent quantum wavepacket method

NASA Astrophysics Data System (ADS)

Xie, Wenbo; Liu, Lan; Sun, Zhigang; Guo, Hua; Dawes, Richard

2015-02-01

The title isotope exchange reaction was studied by converged time-dependent wave packet calculations, where an efficient 4th order split operator was applied to propagate the initial wave packet. State-to-state differential and integral cross sections up to the collision energy of 0.35 eV were obtained with 32O2 in the hypothetical j0 = 0 state. It is discovered that the differential cross sections are largely forward biased in the studied collision energy range, due to the fact that there is a considerable part of the reaction occurring with large impact parameter and short lifetime relative to the rotational period of the intermediate complex. The oscillations of the forward scattering amplitude as a function of collision energy, which result from coherent contribution of adjacent resonances, may be a sensitive probe for examining the quality of the underlying potential energy surface. A good agreement between the theoretical and recent experimental integral and differential cross sections at collision energy of 7.3 kcal/mol is obtained. However, the theoretical results predict slightly too much forward scattering and colder rotational distributions than the experimental observations at collision energy of 5.7 kcal/mol.

Demonstration of a Single-Crystal Reflector-Filter for Enhancing Slow Neutron Beams

DOE PAGES

Muhrer, Guenter; Schönfeldt, Troels; Iverson, Erik B.; ...

2016-06-14

The cold polycrystalline beryllium reflector-filter concept has been used to enhance the cold neutron emission of cryogenic hydrogen moderators, while suppressing the intermediate wavelength and fast neutron emission at the same time. While suppressing the fast neutron emission is often desired, the suppression of intermediate wavelength neutrons is often unwelcome. It has been hypothesized that replacing the polycrystalline reflector-filter concept with a single-crystal reflector-filter concept would overcome the suppression of intermediate wavelength neutrons and thereby extend the usability of the reflector-filter concept to shorter but still important wavelengths. In this paper we present the first experimental data on a single-crystalmore » reflector-filter and compare experimental results with hypothesized performance. We find that a single-crystal reflector-filter retains the long-wavelength benefit of the polycrystalline reflector-filter, without suffering the same loss of important intermediate wavelength neutrons. Ultimately, this finding extends the applicability of the reflector-filter concept to intermediate wavelengths, and furthermore indicates that the reflector-filter benefits arise from its interaction with fast (background) neutrons, not with intermediate wavelength neutrons of potential interest in many types of neutron scattering.« less

Distinct Annular Oligomers Captured along the Assembly and Disassembly Pathways of Transthyretin Amyloid Protofibrils

PubMed Central

Pires, Ricardo H.; Karsai, Árpád; Saraiva, Maria J.; Damas, Ana M.; Kellermayer, Miklós S. Z.

2012-01-01

Background Defects in protein folding may lead to severe degenerative diseases characterized by the appearance of amyloid fibril deposits. Cytotoxicity in amyloidoses has been linked to poration of the cell membrane that may involve interactions with amyloid intermediates of annular shape. Although annular oligomers have been detected in many amyloidogenic systems, their universality, function and molecular mechanisms of appearance are debated. Methodology/Principal Findings We investigated with high-resolution in situ atomic force microscopy the assembly and disassembly of transthyretin (TTR) amyloid protofibrils formed of the native protein by pH shift. Annular oligomers were the first morphologically distinct intermediates observed in the TTR aggregation pathway. Morphological analysis suggests that they can assemble into a double-stack of octameric rings with a 16±2 nm diameter, and displaying the tendency to form linear structures. According to light scattering data coupled to AFM imaging, annular oligomers appeared to undergo a collapse type of structural transition into spheroid oligomers containing 8–16 monomers. Disassembly of TTR amyloid protofibrils also resulted in the rapid appearance of annular oligomers but with a morphology quite distinct from that observed in the assembly pathway. Conclusions/Significance Our observations indicate that annular oligomers are key dynamic intermediates not only in the assembly but also in the disassembly of TTR protofibrils. The balance between annular and more compact forms of aggregation could be relevant for cytotoxicity in amyloidogenic disorders. PMID:22984597

A model-based approach of scatter dose contributions and efficiency of apron shielding for radiation protection in CT.

PubMed

Weber, N; Monnin, P; Elandoy, C; Ding, S

2015-12-01

Given the contribution of scattered radiations to patient dose in CT, apron shielding is often used for radiation protection. In this study the efficiency of apron was assessed with a model-based approach of the contributions of the four scatter sources in CT, i.e. external scattered radiations from the tube and table, internal scatter from the patient and backscatter from the shielding. For this purpose, CTDI phantoms filled with thermoluminescent dosimeters were scanned without apron, and then with an apron at 0, 2.5 and 5 cm from the primary field. Scatter from the tube was measured separately in air. The scatter contributions were separated and mathematically modelled. The protective efficiency of the apron was low, only 1.5% in scatter dose reduction on average. The apron at 0 cm from the beam lowered the dose by 7.5% at the phantom bottom but increased the dose by 2% at the top (backscatter) and did not affect the centre. When the apron was placed at 2.5 or 5 cm, the results were intermediate to the one obtained with the shielding at 0 cm and without shielding. The apron effectiveness is finally limited to the small fraction of external scattered radiation. Copyright © 2015 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Combined Henyey-Greenstein and Rayleigh phase function.

PubMed

Liu, Quanhua; Weng, Fuzhong

2006-10-01

The phase function is an important parameter that affects the distribution of scattered radiation. In Rayleigh scattering, a scatterer is approximated by a dipole, and its phase function is analytically related to the scattering angle. For the Henyey-Greenstein (HG) approximation, the phase function preserves only the correct asymmetry factor (i.e., the first moment), which is essentially important for anisotropic scattering. When the HG function is applied to small particles, it produces a significant error in radiance. In addition, the HG function is applied only for an intensity radiative transfer. We develop a combined HG and Rayleigh (HG-Rayleigh) phase function. The HG phase function plays the role of modulator extending the application of the Rayleigh phase function for small asymmetry scattering. The HG-Rayleigh phase function guarantees the correct asymmetry factor and is valid for a polarization radiative transfer. It approaches the Rayleigh phase function for small particles. Thus the HG-Rayleigh phase function has wider applications for both intensity and polarimetric radiative transfers. For microwave radiative transfer modeling in this study, the largest errors in the brightness temperature calculations for weak asymmetry scattering are generally below 0.02 K by using the HG-Rayleigh phase function. The errors can be much larger, in the 1-3 K range, if the Rayleigh and HG functions are applied separately.

Intermediate-valence state of the Sm and Eu in SmB 6 and EuCu 2 Si 2 : neutron spectroscopy data and analysis

DOE PAGES

Savchenkov, P. S.; Alekseev, P. A.; Podlesnyak, A.; ...

2018-01-11

For this study, magnetic neutron scattering data for Sm (SmB 6, Sm(Y)S) and Eu (EuCu 2Si 2- x Ge x ) intermediate-valence compounds have been analysed in terms of a generalized model of the intermediate-radius exciton. Special attention is paid to the correlation between the average ion's valence and parameters of the low-energy excitation in the neutron spectra, such as the resonance mode, including its magnetic form factor. Along with specific features of the formation of the intermediate-valence state for Sm and Eu ions, common physical mechanisms have been revealed for systems based on these elements from the middle ofmore » the rare-earth series. A consistent description of the existing experimental data has been obtained by using the concept of a loosely bound hole for the Eu f-electron shell in the intermediate-valence state, in analogy with the previously established loosely bound electron model for the Sm ion.« less

Intermediate-valence state of the Sm and Eu in SmB 6 and EuCu 2 Si 2 : neutron spectroscopy data and analysis

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

Savchenkov, P. S.; Alekseev, P. A.; Podlesnyak, A.

For this study, magnetic neutron scattering data for Sm (SmB 6, Sm(Y)S) and Eu (EuCu 2Si 2- x Ge x ) intermediate-valence compounds have been analysed in terms of a generalized model of the intermediate-radius exciton. Special attention is paid to the correlation between the average ion's valence and parameters of the low-energy excitation in the neutron spectra, such as the resonance mode, including its magnetic form factor. Along with specific features of the formation of the intermediate-valence state for Sm and Eu ions, common physical mechanisms have been revealed for systems based on these elements from the middle ofmore » the rare-earth series. A consistent description of the existing experimental data has been obtained by using the concept of a loosely bound hole for the Eu f-electron shell in the intermediate-valence state, in analogy with the previously established loosely bound electron model for the Sm ion.« less

Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and FLEX results [Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and RPA+FLEX results

DOE PAGES

Nocera, Alberto; Wang, Yan; Patel, Niravkumar D.; ...

2018-05-31

Here, we study the magnetic and charge dynamical response of a Hubbard model in a two-leg ladder geometry using the density matrix renormalization group (DMRG) method and the random phase approximation within the fluctuation-exchange approximation (FLEX). Our calculations reveal that FLEX can capture the main features of the magnetic response from weak up to intermediate Hubbard repulsion for doped ladders, when compared with the numerically exact DMRG results. However, while at weak Hubbard repulsion both the spin and charge spectra can be understood in terms of weakly interacting electron-hole excitations across the Fermi surface, at intermediate coupling DMRG shows gappedmore » spin excitations at large momentum transfer that remain gapless within the FLEX approximation. For the charge response, FLEX can only reproduce the main features of the DMRG spectra at weak coupling and high doping levels, while it shows an incoherent character away from this limit. Overall, our analysis shows that FLEX works surprisingly well for spin excitations at weak and intermediate Hubbard U values even in the difficult low-dimensional geometry such as a two-leg ladder. Finally, we discuss the implications of our results for neutron scattering and resonant inelastic x-ray scattering experiments on two-leg ladder cuprate compounds.« less

Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and FLEX results [Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and RPA+FLEX results

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

Nocera, Alberto; Wang, Yan; Patel, Niravkumar D.

Here, we study the magnetic and charge dynamical response of a Hubbard model in a two-leg ladder geometry using the density matrix renormalization group (DMRG) method and the random phase approximation within the fluctuation-exchange approximation (FLEX). Our calculations reveal that FLEX can capture the main features of the magnetic response from weak up to intermediate Hubbard repulsion for doped ladders, when compared with the numerically exact DMRG results. However, while at weak Hubbard repulsion both the spin and charge spectra can be understood in terms of weakly interacting electron-hole excitations across the Fermi surface, at intermediate coupling DMRG shows gappedmore » spin excitations at large momentum transfer that remain gapless within the FLEX approximation. For the charge response, FLEX can only reproduce the main features of the DMRG spectra at weak coupling and high doping levels, while it shows an incoherent character away from this limit. Overall, our analysis shows that FLEX works surprisingly well for spin excitations at weak and intermediate Hubbard U values even in the difficult low-dimensional geometry such as a two-leg ladder. Finally, we discuss the implications of our results for neutron scattering and resonant inelastic x-ray scattering experiments on two-leg ladder cuprate compounds.« less

Amyloidogenic behavior of different intermediate state of stem bromelain: A biophysical insight.

PubMed

Zaman, Masihuz; Ehtram, Aquib; Chaturvedi, Sumit Kumar; Nusrat, Saima; Khan, Rizwan Hasan

2016-10-01

Stem bromelain, a cysteine proteases from Ananas comosus is a widely accepted therapeutic drug with broad medicinal application. It exists as intermediate states at pH 2.0 and 10.0, where it encountered in gastrointestinal tract during adsorption (acidic pH) and in gut epithelium (alkaline pH), respectively. In this study, we monitored the thermal aggregation/amyloid formation of SB at different pH intermediate states. Thermal treatment of stem bromelain at pH 10.0 favors the fibrillation in which the extent of aggregation increases with increase in protein concentration. However, no fibril formation in stem bromelain at pH 2.0 was found at all the concentration used at pH 10.0. The fibril formation was confirmed by various techniques such as turbidity measurements, Rayleigh light scattering, dye binding assays and far UV circular dichroism. The Dynamic light scattering confirmed the formation of aggregates by measuring the hydrodynamic radii pattern. Moreover, microscopic techniques were performed to analyze the morphology of fibrils. The aggregation behavior may be due to variation in number of charged amino acid residues. The less negative charge developed at pH 10.0 may be responsible for aggregation. This work helps to overcome the aggregation related problems of stem bromelain during formulations in pharmaceutical industry. Copyright © 2016 Elsevier B.V. All rights reserved.

Longwave radiative effects of Saharan dust during the ICE-D campaign

NASA Astrophysics Data System (ADS)

Brooke, Jennifer; Havemann, Stephan; Ryder, Claire; O'Sullivan, Debbie

2017-04-01

The Havemann-Taylor Fast Radiative Transfer Code (HT-FRTC) is a fast radiative transfer model based on Principal Components. Scattering has been incorporated into HT-FRTC which allows simulations of aerosol as well as clear-sky atmospheres. This work evaluates the scattering scheme in HT-FRTC and investigates dust-affected brightness temperatures using in-situ observations from Ice in Clouds Experiment - Dust (ICE-D) campaign. The ICE-D campaign occurred during August 2015 and was based from Cape Verde. The ICE-D campaign is a multidisciplinary project which achieved measurements of in-situ mineral dust properties of the dust advected from the Sahara, and on the aerosol-cloud interactions using the FAAM BAe-146 research aircraft. ICE-D encountered a range of low (0.3), intermediate (0.8) and high (1.3) aerosol optical depths, AODs, and therefore provides a range of atmospheric dust loadings in the assessment of dust scattering in HT-FRTC. Spectral radiances in the thermal infrared window region (800 - 1200 cm-1) are sensitive to the presence of mineral dust; mineral dust acts to reduce the upwelling infrared radiation caused by the absorption and re-emission of radiation by the dust layer. ARIES (Airborne Research Interferometer Evaluation System) is a nadir-facing interferometer, measuring infrared radiances between 550 and 3000 cm-1. The ARIES spectral radiances are converted to brightness temperatures by inversion of the Planck function. The mineral dust size distribution is important for radiative transfer applications as it provides a measure of aerosol scattering. The longwave spectral mineral dust optical properties including the mass extinction coefficients, single scattering albedos and the asymmetry parameter have been derived from the mean ICE-D size distribution. HT-FRTC scattering simulations are initialised with vertical mass fractions which can be derived from extinction profiles from the lidar along with the specific extinction coefficient, kext (m2/g) at 355 nm. In general the comparison between the lidar retrieval of aerosol extinction coefficients and in-situ measurements show a good agreement. The root mean square of the brightness temperature residuals in the window region for observations (ARIES) minus model simulations for i) clear-sky, ii) HT-FRTC 'line-by-line' scattering and, iii) HT-FRTC fast scattering are calculated. For the ICE-D case studies mineral dust impacts on the brightness temperature of the background on the order of 1 - 1.5 K.

Low frequency acoustic and electromagnetic scattering

NASA Technical Reports Server (NTRS)

Hariharan, S. I.; Maccamy, R. C.

1986-01-01

This paper deals with two classes of problems arising from acoustics and electromagnetics scattering in the low frequency stations. The first class of problem is solving Helmholtz equation with Dirichlet boundary conditions on an arbitrary two dimensional body while the second one is an interior-exterior interface problem with Helmholtz equation in the exterior. Low frequency analysis show that there are two intermediate problems which solve the above problems accurate to 0(k/2/ log k) where k is the frequency. These solutions greatly differ from the zero frequency approximations. For the Dirichlet problem numerical examples are shown to verify the theoretical estimates.

Neutrino-nucleus interactions at the LBNF near detector

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

Mosel, Ulrich

2015-10-15

The reaction mechanisms for neutrino interactions with an {sup 40}Ar nucleus with the LBNF flux are calculated with the Giessen-Boltzmann-Uehling-Uhlenbeck (GiBUU) transport-theoretical implementation of these interactions. Quasielastic scattering, many-body effects, pion production and absorption and Deep Inelastic Scattering are discussed; they all play a role at the LBNF energies and are experimentally entangled with each other. Quasielastic scattering makes up for only about 1/3 of the total cross section whereas pion production channels make up about 2/3 of the total. This underlines the need for a consistent description of the neutrino-nucleus reaction that treats all channels on an equal, consistentmore » footing. The results discussed here can also serve as useful guideposts for the Intermediate Neutrino Program.« less

Relativistic effects in ab initio electron-nucleus scattering

NASA Astrophysics Data System (ADS)

Rocco, Noemi; Leidemann, Winfried; Lovato, Alessandro; Orlandini, Giuseppina

2018-05-01

The electromagnetic responses obtained from Green's function Monte Carlo (GFMC) calculations are based on realistic treatments of nuclear interactions and currents. The main limitations of this method comes from its nonrelativistic nature and its computational cost, the latter hampering the direct evaluation of the inclusive cross sections as measured by experiments. We extend the applicability of GFMC in the quasielastic region to intermediate momentum transfers by performing the calculations in a reference frame that minimizes nucleon momenta. Additional relativistic effects in the kinematics are accounted for employing the two-fragment model. In addition, we developed a novel algorithm, based on the concept of first-kind scaling, to compute the inclusive electromagnetic cross section of 4He through an accurate and reliable interpolation of the response functions. A very good agreement is obtained between theoretical and experimental cross sections for a variety of kinematical setups. This offers a promising prospect for the data analysis of neutrino-oscillation experiments that requires an accurate description of nuclear dynamics in which relativistic effects are fully accounted for.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-01

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C12E8) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study.

PubMed

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-21

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C 12 E 8 ) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Brownian dynamics and dynamic Monte Carlo simulations of isotropic and liquid crystal phases of anisotropic colloidal particles: a comparative study.

PubMed

Patti, Alessandro; Cuetos, Alejandro

2012-07-01

We report on the diffusion of purely repulsive and freely rotating colloidal rods in the isotropic, nematic, and smectic liquid crystal phases to probe the agreement between Brownian and Monte Carlo dynamics under the most general conditions. By properly rescaling the Monte Carlo time step, being related to any elementary move via the corresponding self-diffusion coefficient, with the acceptance rate of simultaneous trial displacements and rotations, we demonstrate the existence of a unique Monte Carlo time scale that allows for a direct comparison between Monte Carlo and Brownian dynamics simulations. To estimate the validity of our theoretical approach, we compare the mean square displacement of rods, their orientational autocorrelation function, and the self-intermediate scattering function, as obtained from Brownian dynamics and Monte Carlo simulations. The agreement between the results of these two approaches, even under the condition of heterogeneous dynamics generally observed in liquid crystalline phases, is excellent.

Limits on transverse momentum dependent evolution from semi-inclusive deep inelastic scattering at moderate Q

NASA Astrophysics Data System (ADS)

Aidala, C. A.; Field, B.; Gamberg, L. P.; Rogers, T. C.

2014-05-01

In the QCD evolution of transverse momentum dependent parton distribution and fragmentation functions, the Collins-Soper evolution kernel includes both a perturbative short-distance contribution and a large-distance nonperturbative, but strongly universal, contribution. In the past, global fits, based mainly on larger Q Drell-Yan-like processes, have found substantial contributions from nonperturbative regions in the Collins-Soper evolution kernel. In this article, we investigate semi-inclusive deep inelastic scattering measurements in the region of relatively small Q, of the order of a few GeV, where sensitivity to nonperturbative transverse momentum dependence may become more important or even dominate the evolution. Using recently available deep inelastic scattering data from the COMPASS experiment, we provide estimates of the regions of coordinate space that dominate in transverse momentum dependent (TMD) processes when the hard scale is of the order of only a few GeV. We find that distance scales that are much larger than those commonly probed in large Q measurements become important, suggesting that the details of nonperturbative effects in TMD evolution are especially significant in the region of intermediate Q. We highlight the strongly universal nature of the nonperturbative component of evolution and its potential to be tightly constrained by fits from a wide variety of observables that include both large and moderate Q. On this basis, we recommend detailed treatments of the nonperturbative component of the Collins-Soper evolution kernel for future TMD studies.

Magnetic Ordering of Erbium and Uranium NICKEL(2) SILICON(2) by Neutron Scattering

NASA Astrophysics Data System (ADS)

Lin, Hong

The magnetic ordering has been studied in UNi _2Si_2 and erbium single crystals by elastic neutron scattering. Abundant results are given regarding the magnetic structure, magnetic phase transitions, and the effect of a magnetic field on these properties. Three ordered phases are observed in UNi _2Si_2. They have been determined to be an incommensurate longitudinal spin density wave with a magnetic wave vector around q = 0.74c ^* in the high temperature phase, a simple body-centred antiferromagnet in the intermediate temperature phase, and a square wave in the low temperature phase. This square wave can be viewed equivalently as a longitudinal spin density wave with q = 2/3c ^* superimposed on a ferromagnetic component. Hysteresis and sample dependence are observed in the low-temperature phase transition. The two lower temperature phase transitions are both first order. The transition to paramagnetism is second order with a critical exponent beta = 0.35 +/- 0.03. When a magnetic field is applied along the c axis, the intermediate temperature phase is destabilised and disappears above a field of 3.5T. Although there is no new phase induced by the field, there exists a reentrant point where the three ordered phases can coexist. Erbium has three distinct ordered phases: the cone phase at low temperatures, the c-axis modulated (CAM) phase at higher temperatures, and the intermediate phase with moments modulated both along c and perpendicular to c. Within these phases the modulation of the moments may lock in to the lattice. The observed weak harmonics of the wave vector q in the basal plane for the cone phase and the q = 1/4c^* structure in the intermediate phase can be explained by a basal-plane spin slip model. The effect of magnetic field along the c axis on the magnetic structure is to stabilise the cone phase and to destabilise the intermediate phase. A new lock-in structure with q = 1/4c^* in the cone phase is induced by fields above 1.8T. The presence of the field also stabilises the lock-in structure with q = 2/7c^* in both the intermediate and the CAM phases.

Incipient microphase separation in short chain perfluoropolyether-block-poly(ethylene oxide) copolymers.

PubMed

Chintapalli, Mahati; Timachova, Ksenia; Olson, Kevin R; Banaszak, Michał; Thelen, Jacob L; Mecham, Sue J; DeSimone, Joseph M; Balsara, Nitash P

2017-06-07

Incipient microphase separation is observed by wide angle X-ray scattering (WAXS) in short chain multiblock copolymers consisting of perfluoropolyether (PFPE) and poly(ethylene oxide) (PEO) segments. Two PFPE-PEO block copolymers were studied; one with dihydroxyl end groups and one with dimethyl carbonate end groups. Despite having a low degree of polymerization (N ∼ 10), these materials exhibited significant scattering intensity, due to disordered concentration fluctuations between their PFPE-rich and PEO-rich domains. The disordered scattering intensity was fit to a model based on a multicomponent random phase approximation to determine the value of the interaction parameter, χ, and the radius of gyration, R g . Over the temperature range 30-90 °C, the values of χ were determined to be very large (∼2-2.5), indicating a high degree of immiscibility between the PFPE and PEO blocks. In PFPE-PEO, due to the large electron density contrast between the fluorinated and non-fluorinated block and the high value of χ, disordered scattering was detected at intermediate scattering angles, (q ∼ 2 nm -1 ) for relatively small polymer chains. Our ability to detect concentration fluctuations was enabled by both a relatively large value of χ and significant scattering contrast.

Radiative heat transfer in strongly forward scattering media using the discrete ordinates method

NASA Astrophysics Data System (ADS)

Granate, Pedro; Coelho, Pedro J.; Roger, Maxime

2016-03-01

The discrete ordinates method (DOM) is widely used to solve the radiative transfer equation, often yielding satisfactory results. However, in the presence of strongly forward scattering media, this method does not generally conserve the scattering energy and the phase function asymmetry factor. Because of this, the normalization of the phase function has been proposed to guarantee that the scattering energy and the asymmetry factor are conserved. Various authors have used different normalization techniques. Three of these are compared in the present work, along with two other methods, one based on the finite volume method (FVM) and another one based on the spherical harmonics discrete ordinates method (SHDOM). In addition, the approximation of the Henyey-Greenstein phase function by a different one is investigated as an alternative to the phase function normalization. The approximate phase function is given by the sum of a Dirac delta function, which accounts for the forward scattering peak, and a smoother scaled phase function. In this study, these techniques are applied to three scalar radiative transfer test cases, namely a three-dimensional cubic domain with a purely scattering medium, an axisymmetric cylindrical enclosure containing an emitting-absorbing-scattering medium, and a three-dimensional transient problem with collimated irradiation. The present results show that accurate predictions are achieved for strongly forward scattering media when the phase function is normalized in such a way that both the scattered energy and the phase function asymmetry factor are conserved. The normalization of the phase function may be avoided using the FVM or the SHDOM to evaluate the in-scattering term of the radiative transfer equation. Both methods yield results whose accuracy is similar to that obtained using the DOM along with normalization of the phase function. Very satisfactory predictions were also achieved using the delta-M phase function, while the delta-Eddington phase function and the transport approximation may perform poorly.

Fractal Structures on Fe3O4 Ferrofluid: A Small-Angle Neutron Scattering Study

NASA Astrophysics Data System (ADS)

Giri Rachman Putra, Edy; Seong, Baek Seok; Shin, Eunjoo; Ikram, Abarrul; Ani, Sistin Ari; Darminto

2010-10-01

A small-angle neutron scattering (SANS) which is a powerful technique to reveal the large scale structures was applied to investigate the fractal structures of water-based Fe3O4ferrofluid, magnetic fluid. The natural magnetite Fe3O4 from iron sand of several rivers in East Java Province of Indonesia was extracted and purified using magnetic separator. Four different ferrofluid concentrations, i.e. 0.5, 1.0, 2.0 and 3.0 Molar (M) were synthesized through a co-precipitation method and then dispersed in tetramethyl ammonium hydroxide (TMAH) as surfactant. The fractal aggregates in ferrofluid samples were observed from their SANS scattering distributions confirming the correlations to their concentrations. The mass fractal dimension changed from about 3 to 2 as ferrofluid concentration increased showing a deviation slope at intermediate scattering vector q range. The size of primary magnetic particle as a building block was determined by fitting the scattering profiles with a log-normal sphere model calculation. The mean average size of those magnetic particles is about 60 - 100 Å in diameter with a particle size distribution σ = 0.5.

Recovering refractive index correlation function from measurement of tissue scattering phase function (Conference Presentation)

NASA Astrophysics Data System (ADS)

Rogers, Jeremy D.

2016-03-01

Numerous methods have been developed to quantify the light scattering properties of tissue. These properties are of interest in diagnostic and screening applications due to sensitivity to changes in tissue ultrastructure and changes associated with disease such as cancer. Tissue is considered a weak scatterer because that the mean free path is much larger than the correlation length. When this is the case, all scattering properties can be calculated from the refractive index correlation function Bn(r). Direct measurement of Bn(r) is challenging because it requires refractive index measurement at high resolution over a large tissue volume. Instead, a model is usually assumed. One particularly useful model, the Whittle-Matern function includes several realistic function types such as mass fractal and exponential. Optical scattering properties for weakly scattering media can be determined analytically from Bn(r) by applying the Rayleigh-Gans-Debye (RGD) or Born Approximation, and so measured scattering properties are used to fit parameters of the model function. Direct measurement of Bn(r) would provide confirmation that the function is a good representation of tissue or help in identifying the length scale at which changes occur. The RGD approximation relates the scattering phase function to the refractive index correlation function through a Fourier transform. This can be inverted without approximation, so goniometric measurement of the scattering can be converted to Bn(r). However, geometric constraints of the measurement of the phase function, angular resolution, and wavelength result in a band limited measurement of Bn(r). These limits are discussed and example measurements are described.

Inelastic Light Scattering Processes

NASA Technical Reports Server (NTRS)

Fouche, Daniel G.; Chang, Richard K.

1973-01-01

Five different inelastic light scattering processes will be denoted by, ordinary Raman scattering (ORS), resonance Raman scattering (RRS), off-resonance fluorescence (ORF), resonance fluorescence (RF), and broad fluorescence (BF). A distinction between fluorescence (including ORF and RF) and Raman scattering (including ORS and RRS) will be made in terms of the number of intermediate molecular states which contribute significantly to the scattered amplitude, and not in terms of excited state lifetimes or virtual versus real processes. The theory of these processes will be reviewed, including the effects of pressure, laser wavelength, and laser spectral distribution on the scattered intensity. The application of these processes to the remote sensing of atmospheric pollutants will be discussed briefly. It will be pointed out that the poor sensitivity of the ORS technique cannot be increased by going toward resonance without also compromising the advantages it has over the RF technique. Experimental results on inelastic light scattering from I(sub 2) vapor will be presented. As a single longitudinal mode 5145 A argon-ion laser line was tuned away from an I(sub 2) absorption line, the scattering was observed to change from RF to ORF. The basis, of the distinction is the different pressure dependence of the scattered intensity. Nearly three orders of magnitude enhancement of the scattered intensity was measured in going from ORF to RF. Forty-seven overtones were observed and their relative intensities measured. The ORF cross section of I(sub 2) compared to the ORS cross section of N2 was found to be 3 x 10(exp 6), with I(sub 2) at its room temperature vapor pressure.

Replacing backscattering with reduced scattering. A better formulation of reflectance function?

NASA Astrophysics Data System (ADS)

Piskozub, Jacek; McKee, David; Freda, Wlodzimierz

2014-05-01

Modern reflectance formulas all involve backscattering coefficient divided by absorption coefficient (bb/a). The backscattering (or backward scattering) coefficient describes how much of the incident radiation is scattered at angles between 90 and 180 deg. However, water leaving photons are not necessarily backscattered because it is possible for a variable fraction to exit after multiple forward scattering events. Therefore the whole angular function of scattering probability (phase function) influences the reflectance signal. This is the reason why phase functions of identical backscattering ratio may result in different reflectance values, contrary to the universally used formula. This creates the question whether there may exist a better formula using a parameter better describing phase function shape than backscattering ratio. The asymmetry parameter g (the average scattering cosine) is commonly used to parametrize phase functions. A replacement for backscattering should decrease with increasing g. Therefore, the simplest candidate to replace backscattering has the form of b(1-g), where b is the scattering coefficient. Such a parameter is well known in biomedical optics under the name of reduced scattering (sometimes transport scattering). It has even been used in parametrizing reflectance in (highly turbid) human tissues. However no attempt has been made to check its usefulness in marine optics. We perform Monte Carlo radiative transfer calculations of reflectance for multiple combinations of inherent optical properties, including different phase functions. The results are used to create a new reflectance formula as a function of reduced scattering and absorption and test its robustness to changes in phase function shape compared to the traditional bb/a formula. We discuss its usefulness as well as advantages and disadvantages compared to the traditional formulation.

Evidence of an Intermediate Phase in bulk alloy oxide glass sysem

NASA Astrophysics Data System (ADS)

Chakraborty, S.; Boolchand, P.

2011-03-01

Reversibility windows have been observed in modified oxides (alkali-silicates and -germanates) and identified with Intermediate Phases(IPs). Here we find preliminary evidence of an IP in a ternary oxide glass, (B2 O3)5 (Te O2)95-x (V2O5)x , which is composed of network formers. Bulk glasses are synthesized across the 18% x 35 % composition range, and examined in Raman scattering, modulated DSC and molar volume experiments. Glass transition temperatures Tg (x) steadily decrease with V2O5 content x, and reveal the enthalpy of relaxation at Tg to show a global minimum in the 24% x < 27 range, the reversibility window (IP). Molar volumes reveal a minimum in this window. Raman scattering reveals a Boson mode, and at least six other vibrational bands in the 100cm-1 < ν < 1700cm-1 range. Compositional trends in vibrational mode strengths and frequency are established. These results will be presented in relation to glass structure evolution with vanadia content and the underlying elastic phases. Supported by NSF grant DMR 08-53957.

Robust multiscale field-only formulation of electromagnetic scattering

NASA Astrophysics Data System (ADS)

Sun, Qiang; Klaseboer, Evert; Chan, Derek Y. C.

2017-01-01

We present a boundary integral formulation of electromagnetic scattering by homogeneous bodies that are characterized by linear constitutive equations in the frequency domain. By working with the Cartesian components of the electric E and magnetic H fields and with the scalar functions (r .E ) and (r .H ) where r is a position vector, the problem can be cast as having to solve a set of scalar Helmholtz equations for the field components that are coupled by the usual electromagnetic boundary conditions at material boundaries. This facilitates a direct solution for the surface values of E and H rather than having to work with surface currents or surface charge densities as intermediate quantities in existing methods. Consequently, our formulation is free of the well-known numerical instability that occurs in the zero-frequency or long-wavelength limit in traditional surface integral solutions of Maxwell's equations and our numerical results converge uniformly to the static results in the long-wavelength limit. Furthermore, we use a formulation of the scalar Helmholtz equation that is expressed as classically convergent integrals and does not require the evaluation of principal value integrals or any knowledge of the solid angle. Therefore, standard quadrature and higher order surface elements can readily be used to improve numerical precision for the same number of degrees of freedom. In addition, near and far field values can be calculated with equal precision, and multiscale problems in which the scatterers possess characteristic length scales that are both large and small relative to the wavelength can be easily accommodated. From this we obtain results for the scattering and transmission of electromagnetic waves at dielectric boundaries that are valid for any ratio of the local surface curvature to the wave number. This is a generalization of the familiar Fresnel formula and Snell's law, valid at planar dielectric boundaries, for the scattering and transmission of electromagnetic waves at surfaces of arbitrary curvature. Implementation details are illustrated with scattering by multiple perfect electric conductors as well as dielectric bodies with complex geometries and composition.

The 3D-architecture of individual free silver nanoparticles captured by X-ray scattering

PubMed Central

Barke, Ingo; Hartmann, Hannes; Rupp, Daniela; Flückiger, Leonie; Sauppe, Mario; Adolph, Marcus; Schorb, Sebastian; Bostedt, Christoph; Treusch, Rolf; Peltz, Christian; Bartling, Stephan; Fennel, Thomas; Meiwes-Broer, Karl-Heinz; Möller, Thomas

2015-01-01

The diversity of nanoparticle shapes generated by condensation from gaseous matter reflects the fundamental competition between thermodynamic equilibration and the persistence of metastable configurations during growth. In the kinetically limited regime, intermediate geometries that are favoured only in early formation stages can be imprinted in the finally observed ensemble of differently structured specimens. Here we demonstrate that single-shot wide-angle scattering of femtosecond soft X-ray free-electron laser pulses allows three-dimensional characterization of the resulting metastable nanoparticle structures. For individual free silver particles, which can be considered frozen in space for the duration of photon exposure, both shape and orientation are uncovered from measured scattering images. We identify regular shapes, including species with fivefold symmetry and surprisingly large aspect ratio up to particle radii of the order of 100 nm. Our approach includes scattering effects beyond Born’s approximation and is remarkably efficient—opening up new routes in ultrafast nanophysics and free-electron laser science. PMID:25650004

The 3D-architecture of individual free silver nanoparticles captured by X-ray scattering

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

Barke, Ingo; Hartmann, Hannes; Rupp, Daniela

The diversity of nanoparticle shapes generated by condensation from gaseous matter reflects the fundamental competition between thermodynamic equilibration and the persistence of metastable configurations during growth. In the kinetically limited regime, intermediate geometries that are favoured only in early formation stages can be imprinted in the finally observed ensemble of differently structured specimens. Here we demonstrate that single-shot wide-angle scattering of femtosecond soft X-ray free-electron laser pulses allows three-dimensional characterization of the resulting metastable nanoparticle structures. For individual free silver particles, which can be considered frozen in space for the duration of photon exposure, both shape and orientation are uncoveredmore » from measured scattering images. We identify regular shapes, including species with fivefold symmetry and surprisingly large aspect ratio up to particle radii of the order of 100 nm. Our approach includes scattering effects beyond Born’s approximation and is remarkably efficient—opening up new routes in ultrafast nanophysics and free-electron laser science« less

The 3D-architecture of individual free silver nanoparticles captured by X-ray scattering

DOE PAGES

Barke, Ingo; Hartmann, Hannes; Rupp, Daniela; ...

2015-02-04

The diversity of nanoparticle shapes generated by condensation from gaseous matter reflects the fundamental competition between thermodynamic equilibration and the persistence of metastable configurations during growth. In the kinetically limited regime, intermediate geometries that are favoured only in early formation stages can be imprinted in the finally observed ensemble of differently structured specimens. Here we demonstrate that single-shot wide-angle scattering of femtosecond soft X-ray free-electron laser pulses allows three-dimensional characterization of the resulting metastable nanoparticle structures. For individual free silver particles, which can be considered frozen in space for the duration of photon exposure, both shape and orientation are uncoveredmore » from measured scattering images. We identify regular shapes, including species with fivefold symmetry and surprisingly large aspect ratio up to particle radii of the order of 100 nm. Our approach includes scattering effects beyond Born’s approximation and is remarkably efficient—opening up new routes in ultrafast nanophysics and free-electron laser science« less

Cervicovaginal cytokines, sialidase activity and bacterial load in reproductive-aged women with intermediate vaginal flora.

PubMed

Santos-Greatti, Mariana Morena de Vieira; da Silva, Márcia Guimarães; Ferreira, Carolina Sanitá Tafner; Marconi, Camila

2016-11-01

Studies have shown that not only bacterial vaginosis, but also intermediate vaginal flora has deleterious effects for women's reproductive health. However, literature still lacks information about microbiological and immunological aspects of intermediate flora. To characterize intermediate flora regarding levels of Interleukin (IL)-1beta, IL-6, IL-8, tumor necrosis factor-alpha, interleukin 1 receptor antagonist (IL-1ra), IL-10, sialidase; loads of Gardnerella vaginalis, total bacteria and to verify whether it is closer related to normal flora or bacterial vaginosis. This cross-sectional study enrolled 526 non-pregnant reproductive-aged women distributed in 3 groups according to pattern of vaginal flora using Nugent's system in normal, intermediate and bacterial vaginosis. Cervicovaginal levels of cytokines, sialidases, loads of G. vaginalis and total bacteria were assessed by ELISA, conversion of MUAN and quantitative real-time PCR, respectively. A principal component analysis(PCA) using all measured parameters was performed to compare the three different types of flora. Results showed that intermediate flora is associated with increased cervicovaginal IL-1beta in relation to normal flora(P<0.0001). When compared to bacterial vaginosis, intermediate flora has higher IL-8 and IL-10 levels(P<0.01). Sialidases were in significantly lower levels in normal and intermediate flora than bacterial vaginosis(P<0.0001). Loads of G. vaginalis and total bacterial differed among all groups(P<0.0001), being highest in bacterial vaginosis. PCA showed that normal and intermediate flora were closely scattered, while bacterial vaginosis were grouped separately. Although intermediate flora shows some differences in cytokines, sialidases and bacterial loads in relation to normal flora and bacterial vaginosis, when taken together, general microbiological and immunological pattern pattern of intermediate flora resembles the normal flora. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Light-Nuclei Spectra from Chiral Dynamics

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

Piarulli, M.; Baroni, A.; Girlanda, L.

In recent years local chiral interactions have been derived and implemented in quantum Monte Carlo methods in order to test to what extent the chiral effective field theory framework impacts our knowledge of few- and many-body systems. Here in this Letter, we present Green’s function Monte Carlo calculations of light nuclei based on the family of local two-body interactions presented by our group in a previous paper in conjunction with chiral three-body interactions fitted to bound- and scattering-state observables in the three-nucleon sector. These interactions include Δ intermediate states in their two-pion-exchange components. We obtain predictions for the energy levelsmore » and level ordering of nuclei in the mass range A=4–12, accurate to ≤2% of the binding energy, in very satisfactory agreement with experimental data.« less

Light-Nuclei Spectra from Chiral Dynamics

DOE PAGES

Piarulli, M.; Baroni, A.; Girlanda, L.; ...

2018-02-01

In recent years local chiral interactions have been derived and implemented in quantum Monte Carlo methods in order to test to what extent the chiral effective field theory framework impacts our knowledge of few- and many-body systems. Here in this Letter, we present Green’s function Monte Carlo calculations of light nuclei based on the family of local two-body interactions presented by our group in a previous paper in conjunction with chiral three-body interactions fitted to bound- and scattering-state observables in the three-nucleon sector. These interactions include Δ intermediate states in their two-pion-exchange components. We obtain predictions for the energy levelsmore » and level ordering of nuclei in the mass range A=4–12, accurate to ≤2% of the binding energy, in very satisfactory agreement with experimental data.« less

Compressed exponential relaxation in liquid silicon: Universal feature of the crossover from ballistic to diffusive behavior in single-particle dynamics

NASA Astrophysics Data System (ADS)

Morishita, Tetsuya

2012-07-01

We report a first-principles molecular-dynamics study of the relaxation dynamics in liquid silicon (l-Si) over a wide temperature range (1000-2200 K). We find that the intermediate scattering function for l-Si exhibits a compressed exponential decay above 1200 K including the supercooled regime, which is in stark contrast to that for normal "dense" liquids which typically show stretched exponential decay in the supercooled regime. The coexistence of particles having ballistic-like motion and those having diffusive-like motion is demonstrated, which accounts for the compressed exponential decay in l-Si. An attempt to elucidate the crossover from the ballistic to the diffusive regime in the "time-dependent" diffusion coefficient is made and the temperature-independent universal feature of the crossover is disclosed.

Structural arrest in an ideal gas.

PubMed

van Ketel, Willem; Das, Chinmay; Frenkel, Daan

2005-04-08

We report a molecular dynamics study of a simple model system that has the static properties of an ideal gas, yet exhibits nontrivial "glassy" dynamics behavior at high densities. The constituent molecules of this system are constructs of three infinitely thin hard rods of length L, rigidly joined at their midpoints. The crosses have random but fixed orientation. The static properties of this system are those of an ideal gas, and its collision frequency can be computed analytically. For number densities NL(3)/V>1, the single-particle diffusivity goes to zero. As the system is completely structureless, standard mode-coupling theory cannot describe the observed structural arrest. Nevertheless, the system exhibits many dynamical features that appear to be mode-coupling-like. All high-density incoherent intermediate scattering functions collapse onto master curves that depend only on the wave vector.

Seismic scatterers in the mid-lower mantle beneath Tonga-Fiji

NASA Astrophysics Data System (ADS)

Kaneshima, Satoshi

2018-01-01

We analyze deep and intermediate-depth earthquakes at the Tonga-Fiji region in order to reveal the distribution of scattering objects in the mid-lower mantle. By array processing waveform data recorded at regional seismograph stations in the US, Alaska, and Japan, we investigate S-to-P scattering waves in the P coda, which arise from kilometer-scale chemically distinct objects in the mid-lower mantle beneath Tonga-Fiji. With ten scatterers previously reported by the author included, twenty-three mid-lower mantle scatterers have been detected below 900 km depth, while scatterers deeper than 1900 km have not been identified. Strong mid-lower mantle S-to-P scattering most frequently occurs at the scatterers located within a depth range between 1400 km and 1600 km. The number of scatterers decreases below 1600 km depth, and the deeper objects tend to be weaker. The scatterer distribution may reflect diminishing elastic anomalies of basaltic rocks with depth relative to the surrounding mantle rocks, which mineral physics has predicted to occur. The predominant occurrence of strong S-to-P scattering waves within a narrow depth range may reflect significant reduction of rigidity due to the ferro-elastic transformation of stishovite in basaltic rocks. Very large signals associated with mid-mantle scatterers are observed only for a small portion of the entire earthquake-array pairs. Such infrequent observations of large scattering signals, combined with quite large event-to-event differences in the scattering intensity for each scatterer, suggest both that the strong arrivals approximately represent ray theoretical S-to-P converted waves at objects with a plane geometry. The plane portions of the strong scatterers may often dip steeply, with the size exceeding 100 km. For a few strong scatterers, the range of receivers showing clear scattered waves varies substantially from earthquake-array pair to pair. Some of the scatterers are also observed at different arrays that have significantly different directions of incident waves to the scatterers. Furthermore, weak but coherent P-to-P scattered waves as well as S-to-P waves are observed for a few of the scatterers. These observations indicate that the locally plane scatterers also possess substantial topography.

{alpha}+{alpha} scattering reexamined in the context of the Sao Paulo potential

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

Chamon, L. C.; Gasques, L. R.; Carlson, B. V.

2011-03-15

We have analyzed a large set of {alpha}+{alpha} elastic scattering data for bombarding energies ranging from 0.6 to 29.5 MeV. Because of the complete lack of open reaction channels, the optical interaction at these energies must have a vanishing imaginary part. Thus, this system is particularly important because the corresponding elastic scattering cross sections are very sensitive to the real part of the interaction. The data were analyzed in the context of the velocity-dependent Sao Paulo potential, which is a successful theoretical model for the description of heavy-ion reactions from sub-barrier to intermediate energies. We have verified that, even inmore » this low-energy region, the velocity dependence of the model is quite important for describing the data of the {alpha}+{alpha} system.« less

Intermediate connector for stacked organic light emitting devices

DOEpatents

D& #x27; Andrade, Brian

2013-02-12

A device is provided, having an anode, a cathode, and an intermediate connector disposed between the anode and the cathode. A first organic layer including an emissive sublayer is disposed between the anode and the intermediate connector, and a second including an emissive sublayer is disposed between the intermediate connector and the cathode. The intermediate connector includes a first metal having a work function lower than 4.0 eV and a second metal having a work function lower than 5.0 eV. The work function of the first metal is at least 0.5 eV less than the work function of the second metal. The first metal is in contact with a sublayer of the second organic layer that includes a material well adapted to receive holes from a low work function metal.

High-energy synchrotron study of in-pile-irradiated U–Mo fuels

DOE PAGES

Miao, Yinbin; Mo, Kun; Ye, Bei; ...

2015-12-30

We report synchrotron scattering analysis results on U-7wt%Mo fuel samples irradiated in the Advanced Test Reactor to three different burnup levels. Mature fission gas bubble superlattice was observed to form at intermediate burnup. The superlattice constant was determined to be 11.7 nm and 12.1 nm by wide-angle and small-angle scattering respectively. Grain sub-division takes place throughout the irradiation and causes the collapse of the superlattice at high burnup. The bubble superlattice expands the lattice constant and acts as strong sinks of radiation induced defects. The evolution of dislocation loops was therefore suppressed until the bubble superlattice collapses.

Spin-Orbit Mediated Interference in the Radiative and Nonradiative Channels of the La 4d Core Resonances

NASA Astrophysics Data System (ADS)

Suljoti, E.; de Groot, F. M. F.; Nagasono, M.; Glatzel, P.; Hennies, F.; Deppe, M.; Pietzsch, A.; Sonntag, B.; Föhlisch, A.; Wurth, W.

2009-09-01

Symmetrical fluorescence yield profiles and asymmetrical electron yield profiles of the preresonances at the La NIV,V x-ray absorption edge are experimentally observed in LaPO4 nanoparticles. Theoretical studies show that they are caused by interference effects. The spin-orbit interaction and the giant resonance produce symmetry entangled intermediate states that activate coherent scattering and alter the spectral distribution of the oscillator strength. The scattering amplitudes of the electron and fluorescence decays are further modified by the spin-orbit coupling in the final 5p5ɛl and 5p54f1 states.

Magnetic excitations in the orbital disordered phase of MnV2O4

NASA Astrophysics Data System (ADS)

Matsuura, Keisuke; Sagayama, Hajime; Uehara, Amane; Nii, Yoichi; Kajimoto, Ryoichi; Kamazawa, Kazuya; Ikeuchi, Kazuhiko; Ji, Sungdae; Abe, Nobuyuki; Arima, Taka-hisa

2018-05-01

We have investigated the temperature dependence of magnetic dynamics in a spinel-type vanadium oxide MnV2O4 by inelastic neutron scattering. The scattering intensity of excitation around 20 meV disappears in the collinear intermediate-temperature cubic-ferrimagnetic phase, which reveals that this excitation should be peculiar to the orbital ordered phase. We have found a weakly dispersive mode emergent from a non-integer wavevector (1.4,1.4,0) at 56 K, which lies in the cubic-ferrimagnetic phase between non-coplanar ferrimagnetic and paramagnetic phases. This indicates that the probable presence of an incommensurate instability in the simple collinear structure.

Dispersive approach to two-photon exchange in elastic electron-proton scattering

DOE PAGES

Blunden, P. G.; Melnitchouk, W.

2017-06-14

We examine the two-photon exchange corrections to elastic electron-nucleon scattering within a dispersive approach, including contributions from both nucleon and Δ intermediate states. The dispersive analysis avoids off-shell uncertainties inherent in traditional approaches based on direct evaluation of loop diagrams, and guarantees the correct unitary behavior in the high energy limit. Using empirical information on the electromagnetic nucleon elastic and NΔ transition form factors, we compute the two-photon exchange corrections both algebraically and numerically. Finally, results are compared with recent measurements of e + p to e - p cross section ratios from the CLAS, VEPP-3 and OLYMPUS experiments.

Collisional spin-oriented Sherman function in electron-hole semiconductor plasmas: Landau damping effect

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae

2018-04-01

The influence of Landau damping on the spin-oriented collisional asymmetry is investigated in electron-hole semiconductor plasmas. The analytical expressions of the spin-singlet and the spin-triplet scattering amplitudes as well as the spin-oriented asymmetry Sherman function are obtained as functions of the scattering angle, the Landau parameter, the effective Debye length, and the collision energy. It is found that the Landau damping effect enhances the spin-singlet and spin-triplet scattering amplitudes in the forward and back scattering domains, respectively. It is also found that the Sherman function increases with an increase in the Landau parameter. In addition, the spin-singlet scattering process is found to be dominant rather than the spin-triplet scattering process in the high collision energy domain.

Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

DOE PAGES

Shi, Jade; Nobrega, R. Paul; Schwantes, Christian; ...

2017-03-08

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structuremore » of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.« less

Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

NASA Astrophysics Data System (ADS)

Shi, Jade; Nobrega, R. Paul; Schwantes, Christian; Kathuria, Sagar V.; Bilsel, Osman; Matthews, C. Robert; Lane, T. J.; Pande, Vijay S.

2017-03-01

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. Here, we report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. This prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. Using these results, we then predict incisive single molecule FRET experiments as a means of model validation. This study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.

Intermediate-filaments: from disordered building blocks to well-ordered cells

NASA Astrophysics Data System (ADS)

Kornreich, Micha; Malka-Gibor, Eti; Laser-Azogui, Adi; Doron, Ofer; Avinery, Ram; Herrmann, Harald; Beck, Roy

In the past decade it was found that ~50% of human proteins contain long disordered regions, which play significant functional roles. As these regions lack a defined 3D folded structure, their ensemble conformations can be studied using polymer physics statistical-mechanics arguments. We measure the structure and mechanical response of hydrogels composed of neuronal intermediate filaments proteins. In the nervous system, these proteins provide cells with their mechanical support and shape, via interactions of their long, highly charged and disordered protein chains. We employ synchrotron small-angle X-ray scattering and various microscopy techniques to investigate such hydrogels from the nano- to the macro-scale. In contrast to previous polymer physics theories and experiments, we find that shorter and less charged chains can promote network expansion. The results are explained by intricate interactions between specific domains on the interacting chains, and also suggest a novel structural justification for the changing protein compositions observed during neuronal development. We address the following questions: Can protein disorder have an important role in cellular architecture? Can structural disorder in the micro-scale induce orientational and translational order on the macro-scale? How do the physical properties of disordered protein regions, such as charge, length, and hydrophobicity, modulate the cellular super-structure?

Comparative histological study of the mammalian facial nucleus.

PubMed

Furutani, Rui; Sugita, Shoei

2008-04-01

We performed comparative Nissl, Klüver-Barrera and Golgi staining studies of the mammalian facial nucleus to classify the morphologically distinct subdivisions and the neuronal types in the rat, rabbit, ferret, Japanese monkey (Macaca fuscata), pig, horse, Risso's dolphin (Grampus griseus), and bottlenose dolphin (Tursiops truncatus). The medial subnucleus was observed in all examined species; however, that of the Risso's and bottlenose dolphins was a poorly-developed structure comprised of scattered neurons. The medial subnuclei of terrestrial mammals were well-developed cytoarchitectonic structures, usually a rounded column comprised of densely clustered neurons. Intermediate and lateral subnuclei were found in all studied mammals, with differences in columnar shape and neuronal types from species to species. The dorsolateral subnucleus was detected in all mammals but the Japanese monkey, whose facial neurons converged into the intermediate subnucleus. The dorsolateral subnuclei of the two dolphin species studied were expanded subdivisions comprised of densely clustered cells. The ventromedial subnuclei of the ferret, pig, and horse were richly-developed columns comprised of large multipolar neurons. Pig and horse facial nuclei contained another ventral cluster, the ventrolateral subnucleus. The facial nuclei of the Japanese monkey and the bottlenose dolphin were similar in their ventral subnuclear organization. Our findings show species-specific subnuclear organization and distribution patterns of distinct types of neurons within morphological discrete subdivisions, reflecting functional differences.

Light-front representation of chiral dynamics in peripheral transverse densities

DOE PAGES

Granados, Carlos G.; Weiss, Christian

2015-07-31

The nucleon's electromagnetic form factors are expressed in terms of the transverse densities of charge and magnetization at fixed light-front time. At peripheral transverse distances b = O(M_pi^{-1}) the densities are governed by chiral dynamics and can be calculated model-independently using chiral effective field theory (EFT). We represent the leading-order chiral EFT results for the peripheral transverse densities as overlap integrals of chiral light-front wave functions, describing the transition of the initial nucleon to soft pion-nucleon intermediate states and back. The new representation (a) explains the parametric order of the peripheral transverse densities; (b) establishes an inequality between the spin-independentmore » and -dependent densities; (c) exposes the role of pion orbital angular momentum in chiral dynamics; (d) reveals a large left-right asymmetry of the current in a transversely polarized nucleon and suggests a simple interpretation. The light-front representation enables a first-quantized, quantum-mechanical view of chiral dynamics that is fully relativistic and exactly equivalent to the second-quantized, field-theoretical formulation. It relates the charge and magnetization densities measured in low-energy elastic scattering to the generalized parton distributions probed in peripheral high-energy scattering processes. The method can be applied to nucleon form factors of other operators, e.g. the energy-momentum tensor.« less

State-to-state reaction dynamics of {sup 18}O+{sup 32}O{sub 2} studied by a time-dependent quantum wavepacket method

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

Xie, Wenbo; Liu, Lan; Sun, Zhigang, E-mail: zsun@dicp.ac.cn

2015-02-14

The title isotope exchange reaction was studied by converged time-dependent wave packet calculations, where an efficient 4th order split operator was applied to propagate the initial wave packet. State-to-state differential and integral cross sections up to the collision energy of 0.35 eV were obtained with {sup 32}O{sub 2} in the hypothetical j{sub 0} = 0 state. It is discovered that the differential cross sections are largely forward biased in the studied collision energy range, due to the fact that there is a considerable part of the reaction occurring with large impact parameter and short lifetime relative to the rotational periodmore » of the intermediate complex. The oscillations of the forward scattering amplitude as a function of collision energy, which result from coherent contribution of adjacent resonances, may be a sensitive probe for examining the quality of the underlying potential energy surface. A good agreement between the theoretical and recent experimental integral and differential cross sections at collision energy of 7.3 kcal/mol is obtained. However, the theoretical results predict slightly too much forward scattering and colder rotational distributions than the experimental observations at collision energy of 5.7 kcal/mol.« less

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

PubMed

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

2015-09-22

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

Statistics of transmission eigenvalues in two-dimensional quantum cavities: Ballistic versus stochastic scattering

NASA Astrophysics Data System (ADS)

Rotter, Stefan; Aigner, Florian; Burgdörfer, Joachim

2007-03-01

We investigate the statistical distribution of transmission eigenvalues in phase-coherent transport through quantum dots. In two-dimensional ab initio simulations for both clean and disordered two-dimensional cavities, we find markedly different quantum-to-classical crossover scenarios for these two cases. In particular, we observe the emergence of “noiseless scattering states” in clean cavities, irrespective of sharp-edged entrance and exit lead mouths. We find the onset of these “classical” states to be largely independent of the cavity’s classical chaoticity, but very sensitive with respect to bulk disorder. Our results suggest that for weakly disordered cavities, the transmission eigenvalue distribution is determined both by scattering at the disorder potential and the cavity walls. To properly account for this intermediate parameter regime, we introduce a hybrid crossover scheme, which combines previous models that are valid in the ballistic and the stochastic limit, respectively.

Many-particle-effects in the theory of the extended X-ray absorption fine structure

NASA Astrophysics Data System (ADS)

Tran Thoai, D. B.; Ekardt, W.

1981-10-01

The Lee-Beni-procedure for the calculation of the extended X-ray absorption fine structure (EXAFS) is extended so as to include the effects of the electronic charge density outside the localized muffin-tin potentials. In our scheme EXAFS is caused by back-scattering of an elementary excitation of a homogeneous electron gas by localized energy dependent many-particle muffin-tin potentials. The difference between the two schemes is negligible at large k's, as expected from physical grounds. However, at small and intermediate k-values the difference is quite large. The effect of the outer electrons as compared to the Lee-Beni-model is twofold. First, they renormalize the scattered electron in the usual way. Second, they are missing within the scattering muffin-tins. Hence, we avoid to count some of the electrons twice. Results are presented for Cu as an example.

Neutron density distributions of {sup 204,206,208}Pb deduced via proton elastic scattering at E{sub p}=295 MeV

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

Zenihiro, J.; Sakaguchi, H.; Murakami, T.

Cross sections and analyzing powers for polarized proton elastic scattering from {sup 58}Ni, and {sup 204,206,208}Pb were measured at intermediate energy E{sub p}=295 MeV. An effective relativistic Love-Franey interaction is tuned to reproduce {sup 58}Ni scattering data within the framework of the relativistic impulse approximation. The neutron densities of the lead isotopes are deduced using model-independent sum-of-Gaussians distributions. Their error envelopes are estimated by a new {chi}{sup 2} criterion including uncertainties associated with the reaction model. The systematic behaviors of extracted error envelopes of the neutron density distributions in {sup 204,206,208}Pb are presented. The extracted neutron and proton density distributionmore » of {sup 208}Pb gives a neutron skin thickness of {Delta}r{sub np}=0.211{sub -0.063}{sup +0.054} fm.« less

Combining X-ray and neutron crystallography with spectroscopy.

PubMed

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

2017-02-01

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

Structural relaxation in supercooled orthoterphenyl.

PubMed

Chong, S-H; Sciortino, F

2004-05-01

We report molecular-dynamics simulation results performed for a model of molecular liquid orthoterphenyl in supercooled states, which we then compare with both experimental data and mode-coupling-theory (MCT) predictions, aiming at a better understanding of structural relaxation in orthoterphenyl. We pay special attention to the wave number dependence of the collective dynamics. It is shown that the simulation results for the model share many features with experimental data for real system, and that MCT captures the simulation results at the semiquantitative level except for intermediate wave numbers connected to the overall size of the molecule. Theoretical results at the intermediate wave number region are found to be improved by taking into account the spatial correlation of the molecule's geometrical center. This supports the idea that unusual dynamical properties at the intermediate wave numbers, reported previously in simulation studies for the model and discernible in coherent neutron-scattering experimental data, are basically due to the coupling of the rotational motion to the geometrical-center dynamics. However, there still remain qualitative as well as quantitative discrepancies between theoretical prediction and corresponding simulation results at the intermediate wave numbers, which call for further theoretical investigation.

A theoretical study on the impact of particle scattering on the channel characteristics of underwater optical communication system

NASA Astrophysics Data System (ADS)

Sahu, Sanjay Kumar; Shanmugam, Palanisamy

2018-02-01

Scattering by water molecules and particulate matters determines the path and distance of photon propagation in underwater medium. Consequently, photon angle of scattering (given by scattering phase function) requires to be considered in addition to the extinction coefficient of the aquatic medium governed by the absorption and scattering coefficients in channel characterization for an underwater wireless optical communication (UWOC) system. This study focuses on analyzing the received signal power and impulse response of UWOC channel based on Monte-Carlo simulations for different water types, link distances, link geometries and transceiver parameters. A newly developed scattering phase function (referred to as SS phase function), which represents the real water types more accurately like the Petzold phase function, is considered for quantification of the channel characteristics along with the effects of absorption and scattering coefficients. A comparison between the results simulated using various phase function models and the experimental measurements of Petzold revealed that the SS phase function model predicts values closely matching with the actual values of the Petzold's phase function, which further establishes the importance of using a correct scattering phase function model while estimating the channel capacity of UWOC system in terms of the received power and channel impulse response. Results further demonstrate a great advantage of considering the nonzero probability of receiving scattered photons in estimating channel capacity rather than considering the reception of only ballistic photons as in Beer's Law, which severely underestimates the received power and affects the range of communication especially in the scattering water column. The received power computed based on the Monte-Carlo method by considering the receiver aperture sizes and field of views in different water types are further analyzed and discussed. These results are essential for evaluating the underwater link budget and constructing different system and design parameters for an UWOC system.

In medium dispersion relation effects in nuclear inclusive reactions at intermediate and low energies

NASA Astrophysics Data System (ADS)

Nieves, Juan; Sobczyk, Joanna E.

2017-08-01

In a well-established many-body framework, successful in modeling a great variety of nuclear processes, we analyze the role of the spectral functions (SFs) accounting for the modifications of the dispersion relation of nucleons embedded in a nuclear medium. We concentrate in processes mostly governed by one-body mechanisms, and study possible approximations to evaluate the particle-hole propagator using SFs. We also investigate how to include together SFs and long-range RPA-correlation corrections in the evaluation of nuclear response functions, discussing the existing interplay between both type of nuclear effects. At low energy transfers (≤ 50 MeV), we compare our predictions for inclusive muon and radiative pion captures in nuclei, and charge-current (CC) neutrino-nucleus cross sections with experimental results. We also present an analysis of intermediate energy quasi-elastic neutrino scattering for various targets and both neutrino and antineutrino CC driven processes. In all cases, we pay special attention to estimate the uncertainties affecting the theoretical predictions. In particular, we show that errors on the σμ /σe ratio are much smaller than 5%, and also much smaller than the size of the SF+RPA nuclear corrections, which produce significant effects, not only in the individual cross sections, but also in their ratio for neutrino energies below 400 MeV. These latter nuclear corrections, beyond Pauli blocking, turn out to be thus essential to achieve a correct theoretical understanding of this ratio of cross sections of interest for appearance neutrino oscillation experiments. We also briefly compare our SF and RPA results to predictions obtained within other representative approaches.

Formation of single-walled aluminosilicate nanotubes from molecular precursors and curved nanoscale intermediates.

PubMed

Yucelen, G Ipek; Choudhury, Rudra Prosad; Vyalikh, Anastasia; Scheler, Ulrich; Beckham, Haskell W; Nair, Sankar

2011-04-13

We report the identification and elucidation of the mechanistic role of molecular precursors and nanoscale (1-3 nm) intermediates with intrinsic curvature in the formation of single-walled aluminosilicate nanotubes. We characterize the structural and compositional evolution of molecular and nanoscale species over a length scale of 0.1-100 nm by electrospray ionization mass spectrometry, nuclear magnetic resonance spectroscopy ((27)Al liquid-state, (27)Al and (29)Si solid-state MAS), and dynamic light scattering. Together with structural optimization of key experimentally identified species by solvated density functional theory calculations, this study reveals the existence of intermediates with bonding environments, as well as intrinsic curvature, similar to the structure of the final nanotube product. We show that "proto-nanotube-like" intermediates with inherent curvature form in aqueous synthesis solutions immediately after initial hydrolysis of reactants, disappear from the solution upon heating to 95 °C due to condensation accompanied by an abrupt pH decrease, and finally form ordered single-walled aluminosilicate nanotubes. Detailed quantitative analysis of NMR and ESI-MS spectra from the relevant aluminosilicate, aluminate, and silicate solutions reveals the presence of a variety of monomeric and polymeric aluminate and aluminosilicate species (Al(1)Si(x)-Al(13)Si(x)), such as Keggin ions [AlO(4)Al(12)(OH)(24)(H(2)O)(12)](7+) and polynuclear species with a six-membered Al oxide ring unit. Our study also directly reveals the complexation of aluminate and aluminosilicate species with perchlorate species that most likely inhibit the formation of larger condensates or nontubular structures. Integration of all of our results leads to the construction of the first molecular-level mechanism of single-walled metal oxide nanotube formation, incorporating the role of monomeric and polymeric aluminosilicate species as well as larger nanoparticles. © 2011 American Chemical Society

Influence of phonon-assisted tunneling on the linear thermoelectric transport through molecular quantum dots

NASA Astrophysics Data System (ADS)

Khedri, A.; Meden, V.; Costi, T. A.

2017-11-01

We investigate the effect of vibrational degrees of freedom on the linear thermoelectric transport through a single-level quantum dot described by the spinless Anderson-Holstein impurity model. To study the effects of strong electron-phonon coupling, we use the nonperturbative numerical renormalization group approach. We also compare our results, at weak to intermediate coupling, with those obtained by employing the functional renormalization group method, finding good agreement in this parameter regime. When applying a gate voltage at finite temperatures, the inelastic scattering processes, induced by phonon-assisted tunneling, result in an interesting interplay between electrical and thermal transport. We explore different parameter regimes and identify situations for which the thermoelectric power as well as the dimensionless figure of merit are significantly enhanced via a Mahan-Sofo type of mechanism. We show, in particular, that this occurs at strong electron-phonon coupling and in the antiadiabatic regime.

A simple and accurate method for calculation of the structure factor of interacting charged spheres.

PubMed

Wu, Chu; Chan, Derek Y C; Tabor, Rico F

2014-07-15

Calculation of the structure factor of a system of interacting charged spheres based on the Ginoza solution of the Ornstein-Zernike equation has been developed and implemented on a stand-alone spreadsheet. This facilitates direct interactive numerical and graphical comparisons between experimental structure factors with the pioneering theoretical model of Hayter-Penfold that uses the Hansen-Hayter renormalisation correction. The method is used to fit example experimental structure factors obtained from the small-angle neutron scattering of a well-characterised charged micelle system, demonstrating that this implementation, available in the supplementary information, gives identical results to the Hayter-Penfold-Hansen approach for the structure factor, S(q) and provides direct access to the pair correlation function, g(r). Additionally, the intermediate calculations and outputs can be readily accessed and modified within the familiar spreadsheet environment, along with information on the normalisation procedure. Copyright © 2014 Elsevier Inc. All rights reserved.

Omega-Omega interaction from 2+1-flavor lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Yamada, Masanori; Sasaki, Kenji; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu

2015-07-01

We investigate the interaction between Ω baryons in the {^{1}S}_0 channel from 2{+ }1-flavor lattice quantum chromodynamics (QCD) simulations. On the basis of the HAL QCD method, the Ω Ω potential is extracted from the Nambu-Bethe-Salpeter wave function calculated on the lattice by using the PACS-CS gauge configurations with a lattice spacing of a˜eq 0.09fm, a lattice volume of L˜eq 2.9fm, and quark masses corresponding to m_π ˜eq 700MeV and m_Ω ˜eq 1970MeV. The Ω Ω potential has a repulsive core at short distances and an attractive well at intermediate distances. Accordingly, the phase shift obtained from the potential shows moderate attraction at low energies. Our data indicate that the Ω Ω system with the present quark masses may appear close to the unitary limit where the scattering length diverges.

Anomalous and non-Gaussian diffusion in Hertzian spheres

NASA Astrophysics Data System (ADS)

Ouyang, Wenze; Sun, Bin; Sun, Zhiwei; Xu, Shenghua

2018-09-01

By means of molecular dynamics simulations, we study the non-Gaussian diffusion in the fluid of Hertzian spheres. The time dependent non-Gaussian parameter, as an indicator of the dynamic heterogeneity, is increased with the increasing of temperature. When the temperature is high enough, the dynamic heterogeneity becomes very significant, and it seems counterintuitive that the maximum of non-Gaussian parameter and the position of its peak decrease monotonically with the increasing of density. By fitting the curves of self intermediate scattering function, we find that the character relaxation time τα is surprisingly not coupled with the time τmax where the non-Gaussian parameter reaches to a maximum. The intriguing features of non-Gaussian diffusion at high enough temperatures can be associated with the weakly correlated mean-field behavior of Hertzian spheres. Especially the time τmax is nearly inversely proportional to the density at extremely high temperatures.

Elastic electron differential cross sections for argon atom in the intermediate energy range from 40 eV to 300 eV

NASA Astrophysics Data System (ADS)

Ranković, Miloš Lj.; Maljković, Jelena B.; Tökési, Károly; Marinković, Bratislav P.

2018-02-01

Measurements and calculations for electron elastic differential cross sections (DCS) of argon atom in the energy range from 40 to 300 eV are presented. DCS have been measured in the crossed beam arrangement of the electron spectrometer with an energy resolution of 0.5 eV and angular resolution of 1.5∘ in the range of scattering angles from 20∘ to 126∘. Both angular behaviour and energy dependence of DCS are obtained in a separate sets of experiments, while the absolute scale is achieved via relative flow method, using helium as a reference gas. All data is corrected for the energy transmission function, changes of primary electron beam current and target pressure, and effective path length (volume correction). DCSs are calculated in relativistic framework by expressing the Mott's cross sections in partial wave expansion. Our results are compared with other available data.

Analysis of scattering statistics and governing distribution functions in optical coherence tomography.

PubMed

Sugita, Mitsuro; Weatherbee, Andrew; Bizheva, Kostadinka; Popov, Ivan; Vitkin, Alex

2016-07-01

The probability density function (PDF) of light scattering intensity can be used to characterize the scattering medium. We have recently shown that in optical coherence tomography (OCT), a PDF formalism can be sensitive to the number of scatterers in the probed scattering volume and can be represented by the K-distribution, a functional descriptor for non-Gaussian scattering statistics. Expanding on this initial finding, here we examine polystyrene microsphere phantoms with different sphere sizes and concentrations, and also human skin and fingernail in vivo. It is demonstrated that the K-distribution offers an accurate representation for the measured OCT PDFs. The behavior of the shape parameter of K-distribution that best fits the OCT scattering results is investigated in detail, and the applicability of this methodology for biological tissue characterization is demonstrated and discussed.

Random medium model for cusping of plane waves.

PubMed

Li, Jia; Korotkova, Olga

2017-09-01

We introduce a model for a three-dimensional (3D) Schell-type stationary medium whose degree of potential's correlation satisfies the Fractional Multi-Gaussian (FMG) function. Compared with the scattered profile produced by the Gaussian Schell-model (GSM) medium, the Fractional Multi-Gaussian Schell-model (FMGSM) medium gives rise to a sharp concave intensity apex in the scattered field. This implies that the FMGSM medium also accounts for a larger than Gaussian's power in the bucket (PIB) in the forward scattering direction, hence being a better candidate than the GSM medium for generating highly-focused (cusp-like) scattered profiles in the far zone. Compared to other mathematical models for the medium's correlation function which can produce similar cusped scattered profiles the FMG function offers unprecedented tractability being the weighted superposition of Gaussian functions. Our results provide useful applications to energy counter problems and particle manipulation by weakly scattered fields.

In situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy.

PubMed

Sahle, Christoph J; Kujawski, Simon; Remhof, Arndt; Yan, Yigang; Stadie, Nicholas P; Al-Zein, Ali; Tolan, Metin; Huotari, Simo; Krisch, Michael; Sternemann, Christian

2016-02-21

We present an in situ study of the thermal decomposition of Mg(BH4)2 in a hydrogen atmosphere of up to 4 bar and up to 500 °C using X-ray Raman scattering spectroscopy at the boron K-edge and the magnesium L2,3-edges. The combination of the fingerprinting analysis of both edges yields detailed quantitative information on the reaction products during decomposition, an issue of crucial importance in determining whether Mg(BH4)2 can be used as a next-generation hydrogen storage material. This work reveals the formation of reaction intermediate(s) at 300 °C, accompanied by a significant hydrogen release without the occurrence of stable boron compounds such as amorphous boron or MgB12H12. At temperatures between 300 °C and 400 °C, further hydrogen release proceeds via the formation of higher boranes and crystalline MgH2. Above 400 °C, decomposition into the constituting elements takes place. Therefore, at moderate temperatures, Mg(BH4)2 is shown to be a promising high-density hydrogen storage material with great potential for reversible energy storage applications.

Alkali-corrosion synthesis and excellent DSSC performance of novel jujube-like hierarchical TiO2 microspheres

NASA Astrophysics Data System (ADS)

Xiao, Jiajia; Li, Po; Wen, Xiaogang

2018-04-01

Novel jujube-like hierarchical TiO2 microspheres (HTMs) were synthesized by an alkali-corrosion process of titanium phosphate (Ti2O3(H2PO4)2 · 2H2O) microspheres. The hierarchical titanium phosphate microsphere (HTPM) intermediates consisting of nanoflakes with a thickness of 20 nm were firstly prepared by a facile hydrothermal method. After reacting with diluted NaOH at low temperature and atmospheric pressure, followed by subsequent acid washing and a calcination process, the HTPM intermediates were transformed to TiO2 with the microsphere morphology well retained, while the nanoflakes became porous, and some new nanowires were formed between the nanoflakes. Finally, HTMs consisting of porous nanoflakes and nanowires were obtained. The possible growth mechanisms of HTPMs and HTMs are discussed. The HTMs demonstrate high specific surface area and excellent light-scattering ability. The performance of the dye sensitized solar cells (DSSCs) of the HTMs synthesized under different conditions is studied, and a total conversion efficiency of up to 8.93% was obtained. The improved DSSC performance was attributed to the enhanced dye loading, light-scattering, and charge transporting ability of the HTMs with a unique hierarchical nanostructure.

Alkali-corrosion synthesis and excellent DSSC performance of novel jujube-like hierarchical TiO2 microspheres.

PubMed

Xiao, Jiajia; Li, Po; Wen, Xiaogang

2018-04-27

Novel jujube-like hierarchical TiO 2 microspheres (HTMs) were synthesized by an alkali-corrosion process of titanium phosphate (Ti 2 O 3 (H 2 PO 4 ) 2  · 2H 2 O) microspheres. The hierarchical titanium phosphate microsphere (HTPM) intermediates consisting of nanoflakes with a thickness of 20 nm were firstly prepared by a facile hydrothermal method. After reacting with diluted NaOH at low temperature and atmospheric pressure, followed by subsequent acid washing and a calcination process, the HTPM intermediates were transformed to TiO 2 with the microsphere morphology well retained, while the nanoflakes became porous, and some new nanowires were formed between the nanoflakes. Finally, HTMs consisting of porous nanoflakes and nanowires were obtained. The possible growth mechanisms of HTPMs and HTMs are discussed. The HTMs demonstrate high specific surface area and excellent light-scattering ability. The performance of the dye sensitized solar cells (DSSCs) of the HTMs synthesized under different conditions is studied, and a total conversion efficiency of up to 8.93% was obtained. The improved DSSC performance was attributed to the enhanced dye loading, light-scattering, and charge transporting ability of the HTMs with a unique hierarchical nanostructure.

Role of Intermediate Filaments in Vesicular Traffic.

PubMed

Margiotta, Azzurra; Bucci, Cecilia

2016-04-25

Intermediate filaments are an important component of the cellular cytoskeleton. The first established role attributed to intermediate filaments was the mechanical support to cells. However, it is now clear that intermediate filaments have many different roles affecting a variety of other biological functions, such as the organization of microtubules and microfilaments, the regulation of nuclear structure and activity, the control of cell cycle and the regulation of signal transduction pathways. Furthermore, a number of intermediate filament proteins have been involved in the acquisition of tumorigenic properties. Over the last years, a strong involvement of intermediate filament proteins in the regulation of several aspects of intracellular trafficking has strongly emerged. Here, we review the functions of intermediate filaments proteins focusing mainly on the recent knowledge gained from the discovery that intermediate filaments associate with key proteins of the vesicular membrane transport machinery. In particular, we analyze the current understanding of the contribution of intermediate filaments to the endocytic pathway.

Structural analysis of zwitterionic liquids vs. homologous ionic liquids

NASA Astrophysics Data System (ADS)

Wu, Boning; Kuroda, Kosuke; Takahashi, Kenji; Castner, Edward W.

2018-05-01

Zwitterionic liquids (Zw-ILs) have been developed that are homologous to monovalent ionic liquids (ILs) and show great promise for controlled dissolution of cellulosic biomass. Using both high energy X-ray scattering and atomistic molecular simulations, this article compares the bulk liquid structural properties for novel Zw-ILs with their homologous ILs. It is shown that the significant localization of the charges on Zw-ILs leads to charge ordering similar to that observed for conventional ionic liquids with monovalent anions and cations. A low-intensity first sharp diffraction peak in the liquid structure factor S(q) is observed for both the Zw-IL and the IL. This is unexpected since both the Zw-IL and IL have a 2-(2-methoxyethoxy)ethyl (diether) functional group on the cationic imidazolium ring and ether functional groups are known to suppress this peak. Detailed analyses show that this intermediate range order in the liquid structure arises for slightly different reasons in the Zw-IL vs. the IL. For the Zw-IL, the ether tails in the liquid are shown to aggregate into nanoscale domains.

From elemental tellurium to Ge2Sb2Te5 melts: High temperature dynamic and relaxation properties in relationship with the possible fragile to strong transition

NASA Astrophysics Data System (ADS)

Flores-Ruiz, H.; Micoulaut, M.

2018-01-01

We investigate the dynamic properties of Ge-Sb-Te phase change melts using first principles molecular dynamics with a special emphasis on the effect of tellurium composition on melt dynamics. From structural models and trajectories established previously [H. Flores-Ruiz et al., Phys. Rev. B 92, 134205 (2015)], we calculate the diffusion coefficients for the different species, the activation energies for diffusion, the Van Hove correlation, and the intermediate scattering functions able to substantiate the dynamics and relaxation behavior of the liquids as a function of temperature and composition that is also compared to experiment whenever possible. We find that the diffusion is mostly Arrhenius-like and that the addition of Ge/Sb atoms leads to a global decrease of the jump probability and to an increase in activated dynamics for diffusion. Relaxation behavior is analyzed and used in order to evaluate the possibility of a fragile to strong transition that is evidenced from the calculated high fragility (M = 129) of Ge2Sb2Te5 at high temperatures.

Waveguide detection of right-angle-scattered light in flow cytometry

DOEpatents

Mariella, Jr., Raymond P.

2000-01-01

A transparent flow cell is used as an index-guided optical waveguide. A detector for the flow cell but not the liquid stream detects the Right-Angle-Scattered (RAS) Light exiting from one end of the flow cell. The detector(s) could view the trapped RAS light from the flow cell either directly or through intermediate optical light guides. If the light exits one end of the flow cell, then the other end of the flow cell can be given a high-reflectivity coating to approximately double the amount of light collected. This system is more robust in its alignment than the traditional flow cytometry systems which use imaging optics, such as microscope objectives.

DUMAND Summer Workshop, University of California, La Jolla, Calif., July 24-September 2, 1978, Proceedings. Volume 2 - UHE interactions, neutrino astronomy

NASA Technical Reports Server (NTRS)

Roberts, A.

1979-01-01

The volume covers categories on inelastic neutrino scattering and the W-boson, and other ultra-high-energy processes, on pulsars, quasars and galactic nuclei, as well as other point sources and constants from gamma ray astronomy. Individual subjects include weak intermediate vector bosons and DUMAND, the Monte Carlo simulation of inelastic neutrino scattering in DUMAND, and Higgs boson production by very high-energy neutrinos. The observability of the neutrino flux from the inner region of the galactic disk, the diffuse fluxes of high-energy neutrinos, as well as the significance of gamma ray observations for neutrino astronomy are also among the topics covered.

Magnetically confined electron beam system for high resolution electron transmission-beam experiments

NASA Astrophysics Data System (ADS)

Lozano, A. I.; Oller, J. C.; Krupa, K.; Ferreira da Silva, F.; Limão-Vieira, P.; Blanco, F.; Muñoz, A.; Colmenares, R.; García, G.

2018-06-01

A novel experimental setup has been implemented to provide accurate electron scattering cross sections from molecules at low and intermediate impact energies (1-300 eV) by measuring the attenuation of a magnetically confined linear electron beam from a molecular target. High-resolution electron energy is achieved through confinement in a magnetic gas trap where electrons are cooled by successive collisions with N2. Additionally, we developed and present a method to correct systematic errors arising from energy and angular resolution limitations. The accuracy of the entire measurement procedure is validated by comparing the N2 total scattering cross section in the considered energy range with benchmark values available in the literature.

Temperature dependence of Brillouin light scattering spectra of acoustic phonons in silicon

NASA Astrophysics Data System (ADS)

Olsson, Kevin S.; Klimovich, Nikita; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li; Li, Xiaoqin

2015-02-01

Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. The need for a better understanding of such non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report the measured BLS spectra of silicon at different temperatures. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons.

The metallicity of the intracluster medium over cosmic time: further evidence for early enrichment

NASA Astrophysics Data System (ADS)

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn; Simionescu, Aurora; Urban, Ondrej; Werner, Norbert; Zhuravleva, Irina

2017-12-01

We use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev-Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness 'peakiness' (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5-1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1-0.5 r500) we see a late-time increase in enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.

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

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn

Here, we use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev–Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness ‘peakiness’ (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5–1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1–0.5 r500) we see a late-time increase inmore » enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.« less

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

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

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

1997-04-01

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

Towards a Resolution of the Proton Form Factor Problem: New Electron and Positron Scattering Data

NASA Astrophysics Data System (ADS)

Adikaram, D.; Rimal, D.; Weinstein, L. B.; Raue, B.; Khetarpal, P.; Bennett, R. P.; Arrington, J.; Brooks, W. K.; Adhikari, K. P.; Afanasev, A. V.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Avakian, H.; Ball, J.; Battaglieri, M.; Bedlinskiy, I.; Biselli, A. S.; Bono, J.; Boiarinov, S.; Briscoe, W. J.; Burkert, V. D.; Carman, D. S.; Careccia, S.; Celentano, A.; Chandavar, S.; Charles, G.; Colaneri, L.; Cole, P. L.; Contalbrigo, M.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Dodge, G. E.; Dupre, R.; Egiyan, H.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Eugenio, P.; Fedotov, G.; Fegan, S.; Filippi, A.; Fleming, J. A.; Fradi, A.; Garillon, B.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Gohn, W.; Golovatch, E.; Gothe, R. W.; Griffioen, K. A.; Guegan, B.; Guidal, M.; Guo, L.; Hafidi, K.; Hakobyan, H.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Holtrop, M.; Hughes, S. M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joo, K.; Joosten, S.; Kalantarians, N.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Koirala, S.; Kubarovsky, V.; Kuhn, S. E.; Livingston, K.; Lu, H. Y.; MacGregor, I. J. D.; Markov, N.; Mattione, P.; Mayer, M.; McKinnon, B.; Mestayer, M. D.; Meyer, C. A.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moody, C. I.; Moutarde, H.; Movsisyan, A.; Camacho, C. Munoz; Nadel-Turonski, P.; Niccolai, S.; Niculescu, G.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Pasyuk, E.; Peña, C.; Pisano, S.; Pogorelko, O.; Price, J. W.; Procureur, S.; Prok, Y.; Protopopescu, D.; Puckett, A. J. R.; Ripani, M.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Salgado, C.; Schott, D.; Schumacher, R. A.; Seder, E.; Sharabian, Y. G.; Simonyan, A.; Skorodumina, I.; Smith, E. S.; Smith, G. D.; Sober, D. I.; Sokhan, D.; Sparveris, N.; Stepanyan, S.; Stoler, P.; Strauch, S.; Sytnik, V.; Taiuti, M.; Tian, Ye; Trivedi, A.; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wei, X.; Wood, M. H.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.; CLAS Collaboration

2015-02-01

There is a significant discrepancy between the values of the proton electric form factor, GEp, extracted using unpolarized and polarized electron scattering. Calculations predict that small two-photon exchange (TPE) contributions can significantly affect the extraction of GEp from the unpolarized electron-proton cross sections. We determined the TPE contribution by measuring the ratio of positron-proton to electron-proton elastic scattering cross sections using a simultaneous, tertiary electron-positron beam incident on a liquid hydrogen target and detecting the scattered particles in the Jefferson Lab CLAS detector. This novel technique allowed us to cover a wide range in virtual photon polarization (ɛ ) and momentum transfer (Q2) simultaneously, as well as to cancel luminosity-related systematic errors. The cross section ratio increases with decreasing ɛ at Q2=1.45 GeV2 . This measurement is consistent with the size of the form factor discrepancy at Q2≈1.75 GeV2 and with hadronic calculations including nucleon and Δ intermediate states, which have been shown to resolve the discrepancy up to 2 - 3 GeV2 .

Halo structure of 8B determined from intermediate energy proton elastic scattering in inverse kinematics

NASA Astrophysics Data System (ADS)

Korolev, G. A.; Dobrovolsky, A. V.; Inglessi, A. G.; Alkhazov, G. D.; Egelhof, P.; Estradé, A.; Dillmann, I.; Farinon, F.; Geissel, H.; Ilieva, S.; Ke, Y.; Khanzadeev, A. V.; Kiselev, O. A.; Kurcewicz, J.; Le, X. C.; Litvinov, Yu. A.; Petrov, G. E.; Prochazka, A.; Scheidenberger, C.; Sergeev, L. O.; Simon, H.; Takechi, M.; Tang, S.; Volkov, V.; Vorobyov, A. A.; Weick, H.; Yatsoura, V. I.

2018-05-01

The absolute differential cross section for small-angle proton elastic scattering on the proton-rich 8B nucleus has been measured in inverse kinematics for the first time. The experiment was performed using a secondary radioactive beam with an energy of 0.7 GeV/u at GSI, Darmstadt. The active target, namely hydrogen-filled time projection ionization chamber IKAR, was used to measure the energy, angle and vertex point of the recoil protons. The scattering angle of the projectiles was simultaneously determined by the tracking detectors. The measured differential cross section is analyzed on the basis of the Glauber multiple scattering theory using phenomenological nuclear-density distributions with two free parameters. The radial density distribution deduced for 8B exhibits a halo structure with the root-mean-square (rms) matter radius Rm = 2.58 (6) fm and the rms halo radius Rh = 4.24 (25) fm. The results on 8B are compared to those on the mirror nucleus 8Li investigated earlier by the same method. A comparison is also made with previous experimental results and theoretical predictions for both nuclei.

The effect of interface hopping on inelastic scattering of oppositely charged polarons in polymers

NASA Astrophysics Data System (ADS)

Di, Bing; Wang, Ya-Dong; Zhang, Ya-Lin; An, Zhong

2013-06-01

The inelastic scattering of oppositely charge polarons in polymer heterojunctions is believed to be of fundamental importance for the light-emitting and transport properties of conjugated polymers. Based on the tight-binding SSH model, and by using a nonadiabatic molecular dynamic method, we investigate the effects of interface hopping on inelastic scattering of oppositely charged polarons in a polymer heterojunction. It is found that the scattering processes of the charge and lattice defect depend sensitively on the hopping integrals at the polymer/polymer interface when the interface potential barrier and applied electric field strength are constant. In particular, at an intermediate electric field, when the interface hopping integral of the polymer/polymer heterojunction material is increased beyond a critical value, two polarons can combine to become a lattice deformation in one of the two polymer chains, with the electron and the hole bound together, i.e., a self-trapped polaron—exciton. The yield of excitons then increases to a peak value. These results show that interface hopping is of fundamental importance and facilitates the formation of polaron—excitons.

Recursive formulas for determining perturbing accelerations in intermediate satellite motion

NASA Astrophysics Data System (ADS)

Stoianov, L.

Recursive formulas for Legendre polynomials and associated Legendre functions are used to obtain recursive relationships for determining acceleration components which perturb intermediate satellite motion. The formulas are applicable in all cases when the perturbation force function is presented as a series in spherical functions (gravitational, tidal, thermal, geomagnetic, and other perturbations of intermediate motion). These formulas can be used to determine the order of perturbing accelerations.

Elastic scattering and vibrational excitation for electron impact on para-benzoquinone

NASA Astrophysics Data System (ADS)

Jones, D. B.; Blanco, F.; García, G.; da Costa, R. F.; Kossoski, F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; White, R. D.; Brunger, M. J.

2017-12-01

We report on theoretical elastic and experimental vibrational-excitation differential cross sections (DCSs) for electron scattering from para-benzoquinone (C6H4O2), in the intermediate energy range 15-50 eV. The calculations were conducted with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that also now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (Nopen) at the static-exchange-plus-polarisation (Nopench-SEP) level was used to calculate the scattering amplitudes using a channel coupling scheme that ranges from 1ch-SE up to the 89ch-SEP level of approximation. We found that in going from the 38ch-SEP to the 89ch-SEP, at all energies considered here, the elastic DCSs did not change significantly in terms of both their shapes and magnitudes. This is a good indication that our SMCPP 89ch-SEP elastic DCSs are converged with respect to the multichannel coupling effect for the investigated intermediate energies. While agreement between our IAM-SCAR+I and SMCPP 89ch-SEP computations improves as the incident electron energy increases from 15 eV, overall the level of accord is only marginal. This is particularly true at middle scattering angles, suggesting that our SCAR and interference corrections are failing somewhat for this molecule below 50 eV. We also report experimental DCS results, using a crossed-beam apparatus, for excitation of some of the unresolved ("hybrid") vibrational quanta (bands I-III) of para-benzoquinone. Those data were derived from electron energy loss spectra that were measured over a scattered electron angular range of 10°-90° and put on an absolute scale using our elastic SMCPP 89ch-SEP DCS results. The energy resolution of our measurements was ˜80 meV, which is why, at least in part, the observed vibrational features were only partially resolved. To the best of our knowledge, there are no other experimental or theoretical vibrational excitation results against which we might compare the present measurements.

Gaussian basis functions for highly oscillatory scattering wavefunctions

NASA Astrophysics Data System (ADS)

Mant, B. P.; Law, M. M.

2018-04-01

We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

Multiple scattered radiation emerging from Rayleigh and continental haze layers. 1: Radiance, polarization, and neutral points.

PubMed

Kattawar, G W; Plass, G N; Hitzfelder, S J

1976-03-01

The complete radiation field including polarization is calculated by the matrix operator method for scattering layers of various optical thicknesses. Results obtained for Rayleigh scattering are compared with those for scattering from a continental haze. Radiances calculated using Stokes vectors show differences as large as 23% compared to the approximate scalar theory of radiative transfer, while the same differences are only of the order of 0.1% for a continental haze phase function. The polarization of the reflected and transmitted radiation is given for a wide range of optical thicknesses of the scattering layer, for various solar zenith angles, and various surface albedos. Two entirely different types of neutral points occur for aerosol phase functions. Rayleigh-like neutral points (RNP) arise from the zero polarization in single scattering that occurs for all phase functions at scattering angles of 0 degrees and 180 degrees . For Rayleigh phase functions, the position of the RNP varies appreciably with the optical thickness of the scattering layer. At low solar elevations there may be four RNP. For a continental haze phase function the position of the RNP in the reflected radiation shows only a small variation with the optical thickness, and the RNP exists in the transmitted radiation only for extremely small optical thicknesses. Another type of neutral point (NRNP) exists for aerosol phase functions. It is associated with the zeros of the single scattered polarization, which occur between the end points of the curve; these are called non-Rayleigh neutral points (NRNP). There may be from zero to four of these neutral points associated with each zero of the single scattering curve. They occur over a range of azimuthal angles, unlike the RNP that are in the principal plane only. The position of these neutral points is given as a function of solar angle and optical thickness.

On the role of block copolymer additives for calcium carbonate crystallization: small angle neutron scattering investigation by applying contrast variation.

PubMed

Endo, Hitoshi; Schwahn, Dietmar; Cölfen, Helmut

2004-05-15

The role of the double-hydrophilic block copolymer poly(ethylen glycol)-block-poly(methacrylic acid) (PEG-b-PMAA) on the morphogenesis of calcium carbonate (CaCO3) was studied by applying the contrast variation small angle neutron scattering technique. The morphology and size of CaCO3 crystals is strongly affected by the addition of PEG-b-PMAA. In order to determine the partial scattering functions of the polymer and CaCO3 mineral, we developed both an experimental and theoretical approach with a sophisticated method of their determination from the scattering intensity. Partial scattering functions give detailed information for each component. In particular, the partial scattering function of the polymer, Spp, shows a monotonic slope with Q(-2 to -3) where the scattering vector Q is low (Q < 0.01 Angstrom(-1)), which is a clear evidence that the polymer within the CaCO3 mineral has a mass fractal dimension. The other partial scattering functions reflected the geometry of the CaCO3 particles or the "interaction" of polymer and CaCO3 on a microscopic scale, which leads to a coherent view with Spp.

On Spectral Invariance of Single Scattering Albedo for Water Droplets and Ice Crystals at Weakly Absorbing Wavelengths

NASA Technical Reports Server (NTRS)

Marshak, Alexander; Knyazikhin, Yuri; Chiu, J. Christine; Wiscombe, Warren J.

2012-01-01

The single scattering albedo omega(sub O lambda) in atmospheric radiative transfer is the ratio of the scattering coefficient to the extinction coefficient. For cloud water droplets both the scattering and absorption coefficients, thus the single scattering albedo, are functions of wavelength lambda and droplet size r. This note shows that for water droplets at weakly absorbing wavelengths, the ratio omega(sub O lambda)(r)/omega(sub O lambda)(r (sub O)) of two single scattering albedo spectra is a linear function of omega(sub O lambda)(r). The slope and intercept of the linear function are wavelength independent and sum to unity. This relationship allows for a representation of any single scattering albedo spectrum omega(sub O lambda)(r) via one known spectrum omega(sub O lambda)(r (sub O)). We provide a simple physical explanation of the discovered relationship. Similar linear relationships were found for the single scattering albedo spectra of non-spherical ice crystals.

New Treatment of Strongly Anisotropic Scattering Phase Functions: The Delta-M+ Method

NASA Astrophysics Data System (ADS)

Stamnes, K. H.; Lin, Z.; Chen, N.; Fan, Y.; Li, W.; Stamnes, S.

2017-12-01

The treatment of strongly anisotropic scattering phase functions is still a challenge for accurate radiance computations. The new Delta-M+ method resolves this problem by introducing a reliable, fast, accurate, and easy-to-use Legendre expansion of the scattering phase function with modified moments. Delta-M+ is an upgrade of the widely-used Delta-M method that truncates the forward scattering cone into a Dirac-delta-function (a direct beam), where the + symbol indicates that it essentially matches moments above the first 2M terms. Compared with the original Delta-M method, Delta-M+ has the same computational efficiency, but the accuracy has been increased dramatically. Tests show that the errors for strongly forward-peaked scattering phase functions are greatly reduced. Furthermore, the accuracy and stability of radiance computations are also significantly improved by applying the new Delta-M+ method.

Application of small-angle neutron scattering to the study of forces between magnetically chained monodisperse ferrofluid emulsion droplets

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

Jain, Dr Nirmesh; Liu, Dr C K; Hawkett, Dr B. S.

2014-01-01

The optical magnetic chaining technique (MCT) developed by Leal-Calderon, Bibette and co-workers in the 1990 s allows precise measurements of force profiles between droplets in monodisperse ferrofluid emulsions. However, the method lacks an in-situ determination of droplet size and therefore requires the combination of separately acquired measurements of droplet chain periodicity versus an applied magnetic field from optical Bragg scattering and droplet diameter inferred from dynamic light scattering (DLS) to recover surface force-distance profiles between the colloidal particles. Compound refractive lens (CRL) focussed small-angle scattering (SANS) MCT should result in more consistent measurements of droplet size (form factor measurements inmore » the absence of field) and droplet chaining period (from structure factor peaks when the magnetic field is applied); and, with access to shorter length scales, extend force measurements to closer approaches than possible by optical measurements. We report on CRL-SANS measurements of monodisperse ferrofluid emulsion droplets aligned in straight chains by an applied field perpendicular to the incident beam direction. Analysis of the scattering from the closely spaced droplets required algorithms that carefully treated resolution and its effect on mean scattering vector magnitudes in order to determine droplet size and chain periods to sufficient accuracy. At lower applied fields scattering patterns indicate structural correlations transverse to the magnetic field direction due to the formation of intermediate structures in early chain growth.« less

High resolution Thomson scattering system for steady-state linear plasma sources

NASA Astrophysics Data System (ADS)

Lee, K. Y.; Lee, K. I.; Kim, J. H.; Lho, T.

2018-01-01

The high resolution Thomson scattering system with 63 points along a 25 mm line measures the radial electron temperature (Te) and its density (ne) in an argon plasma. By using a DC arc source with lanthanum hexaboride (LaB6) electrode, plasmas with electron temperature of over 5 eV and densities of 1.5 × 1019 m-3 have been measured. The system uses a frequency doubled (532 nm) Nd:YAG laser with 0.25 J/pulse at 20 Hz. The scattered light is collected and sent to a triple-grating spectrometer via optical-fibers, where images are recorded by an intensified charge coupled device (ICCD) camera. Although excellent in stray-light reduction, a disadvantage comes with its relatively low optical transmission and in sampling a tiny scattering volume. Thus requires accumulating multitude of images. In order to improve photon statistics, pixel binning in the ICCD camera as well as enlarging the intermediate slit-width inside the triple-grating spectrometer has been exploited. In addition, the ICCD camera capture images at 40 Hz while the laser is at 20 Hz. This operation mode allows us to alternate between background and scattering shot images. By image subtraction, influences from the plasma background are effectively taken out. Maximum likelihood estimation that uses a parameter sweep finds best fitting parameters Te and ne with the incoherent scattering spectrum.

Diffusely scattered and transmitted elastic waves by random rough solid-solid interfaces using an elastodynamic Kirchhoff approximation

NASA Astrophysics Data System (ADS)

Shi, Fan; Lowe, Mike; Craster, Richard

2017-06-01

Elastic waves scattered by random rough interfaces separating two distinct media play an important role in modeling phonon scattering and impact upon thermal transport models, and are also integral to ultrasonic inspection. We introduce theoretical formulas for the diffuse field of elastic waves scattered by, and transmitted across, random rough solid-solid interfaces using the elastodynamic Kirchhoff approximation. The new formulas are validated by comparison with numerical Monte Carlo simulations, for a wide range of roughness (rms σ ≤λ /3 , correlation length λ0≥ wavelength λ ), demonstrating a significant improvement over the widely used small-perturbation approach, which is valid only for surfaces with small rms values. Physical analysis using the theoretical formulas derived here demonstrates that increasing the rms value leads to a considerable change of the scattering patterns for each mode. The roughness has different effects on the reflection and the transmission, with a strong dependence on the material properties. In the special case of a perfect match of the wave speed of the two solid media, the transmission is the same as the case for a flat interface. We pay particular attention to scattering in the specular direction, often used as an observable quantity, in terms of the roughness parameters, showing a peak at an intermediate value of rms; this rms value coincides with that predicted by the Rayleigh parameter.

High resolution Thomson scattering system for steady-state linear plasma sources.

PubMed

Lee, K Y; Lee, K I; Kim, J H; Lho, T

2018-01-01

The high resolution Thomson scattering system with 63 points along a 25 mm line measures the radial electron temperature (T e ) and its density (n e ) in an argon plasma. By using a DC arc source with lanthanum hexaboride (LaB 6 ) electrode, plasmas with electron temperature of over 5 eV and densities of 1.5 × 10 19 m -3 have been measured. The system uses a frequency doubled (532 nm) Nd:YAG laser with 0.25 J/pulse at 20 Hz. The scattered light is collected and sent to a triple-grating spectrometer via optical-fibers, where images are recorded by an intensified charge coupled device (ICCD) camera. Although excellent in stray-light reduction, a disadvantage comes with its relatively low optical transmission and in sampling a tiny scattering volume. Thus requires accumulating multitude of images. In order to improve photon statistics, pixel binning in the ICCD camera as well as enlarging the intermediate slit-width inside the triple-grating spectrometer has been exploited. In addition, the ICCD camera capture images at 40 Hz while the laser is at 20 Hz. This operation mode allows us to alternate between background and scattering shot images. By image subtraction, influences from the plasma background are effectively taken out. Maximum likelihood estimation that uses a parameter sweep finds best fitting parameters T e and n e with the incoherent scattering spectrum.

High-k Scattering Receiver Mixer Performance for NSTX-U

NASA Astrophysics Data System (ADS)

Barchfeld, Robert; Riemenschneider, Paul; Domier, Calvin; Luhmann, Neville; Ren, Yang; Kaita, Robert

2016-10-01

The High-k Scattering system detects primarily electron-scale turbulence k θ spectra for studying electron thermal transport in NSTX-U. A 100 mW, 693 GHz probe beam passes through plasma, and scattered power is detected by a 4-pixel quasi optical, mixer array. Remotely controlled receiving optics allows the scattering volume to be located from core to edge with a k θ span of 7 to 40 cm-1. The receiver array features 4 RF diagonal input horns, where the electric field polarization is aligned along the diagonal of a square cross section horn, at 30 mm channel spacing. The local oscillator is provided by a 14.4 GHz source followed by a x48 multiplier chain, giving an intermediate frequency of 1 GHz. The receiver optics receive 4 discreet scattering angles simultaneously, and then focus the signals as 4 parallel signals to their respective horns. A combination of a steerable probe beam, and translating receiver, allows for upward or downward scattering which together can provide information about 2D turbulence wavenumber spectrum. IF signals are digitized and stored for later computer analysis. The performance of the receiver mixers is discussed, along with optical design features to enhance the tuning and performance of the mixers. Work supported in part by U.S. DOE Grant DE-FG02-99ER54518 and DE-AC02-09CH1146.

A novel sampling method for multiple multiscale targets from scattering amplitudes at a fixed frequency

NASA Astrophysics Data System (ADS)

Liu, Xiaodong

2017-08-01

A sampling method by using scattering amplitude is proposed for shape and location reconstruction in inverse acoustic scattering problems. Only matrix multiplication is involved in the computation, thus the novel sampling method is very easy and simple to implement. With the help of the factorization of the far field operator, we establish an inf-criterion for characterization of underlying scatterers. This result is then used to give a lower bound of the proposed indicator functional for sampling points inside the scatterers. While for the sampling points outside the scatterers, we show that the indicator functional decays like the bessel functions as the sampling point goes away from the boundary of the scatterers. We also show that the proposed indicator functional continuously depends on the scattering amplitude, this further implies that the novel sampling method is extremely stable with respect to errors in the data. Different to the classical sampling method such as the linear sampling method or the factorization method, from the numerical point of view, the novel indicator takes its maximum near the boundary of the underlying target and decays like the bessel functions as the sampling points go away from the boundary. The numerical simulations also show that the proposed sampling method can deal with multiple multiscale case, even the different components are close to each other.

Decomposition of Atmospheric Aerosol Phase Function by Particle Size and Morphology via Single Particle Scattering Measurements

NASA Astrophysics Data System (ADS)

Aptowicz, K. B.; Pan, Y.; Martin, S.; Fernandez, E.; Chang, R.; Pinnick, R. G.

2013-12-01

We report upon an experimental approach that provides insight into how particle size and shape affect the scattering phase function of atmospheric aerosol particles. Central to our approach is the design of an apparatus that measures the forward and backward scattering hemispheres (scattering patterns) of individual atmospheric aerosol particles in the coarse mode range. The size and shape of each particle is discerned from the corresponding scattering pattern. In particular, autocorrelation analysis is used to differentiate between spherical and non-spherical particles, the calculated asphericity factor is used to characterize the morphology of non-spherical particles, and the integrated irradiance is used for particle sizing. We found the fraction of spherical particles decays exponentially with particle size, decreasing from 11% for particles on the order of 1 micrometer to less than 1% for particles over 5 micrometer. The average phase functions of subpopulations of particles, grouped by size and morphology, are determined by averaging their corresponding scattering patterns. The phase functions of spherical and non-spherical atmospheric particles are shown to diverge with increasing size. In addition, the phase function of non-spherical particles is found to vary little as a function of the asphericity factor.

Effect of volume-scattering function on the errors induced when polarization is neglected in radiance calculations in an atmosphere-ocean system.

PubMed

Adams, C N; Kattawar, G W

1993-08-20

We have developed a Monte Carlo program that is capable of calculating both the scalar and the Stokes vector radiances in an atmosphere-ocean system in a single computer run. The correlated sampling technique is used to compute radiance distributions for both the scalar and the Stokes vector formulations simultaneously, thus permitting a direct comparison of the errors induced. We show the effect of the volume-scattering phase function on the errors in radiance calculations when one neglects polarization effects. The model used in this study assumes a conservative Rayleigh-scattering atmosphere above a flat ocean. Within the ocean, the volume-scattering function (the first element in the Mueller matrix) is varied according to both a Henyey-Greenstein phase function, with asymmetry factors G = 0.0, 0.5, and 0.9, and also to a Rayleigh-scattering phase function. The remainder of the reduced Mueller matrix for the ocean is taken to be that for Rayleigh scattering, which is consistent with ocean water measurement.

Phase function of a spherical particle when scattering an inhomogeneous electromagnetic plane wave.

PubMed

Frisvad, Jeppe Revall

2018-04-01

In absorbing media, electromagnetic plane waves are most often inhomogeneous. Existing solutions for the scattering of an inhomogeneous plane wave by a spherical particle provide no explicit expressions for the scattering components. In addition, current analytical solutions require evaluation of the complex hypergeometric function F 1 2 for every term of a series expansion. In this work, I develop a simpler solution based on associated Legendre functions with argument zero. It is similar to the solution for homogeneous plane waves but with new explicit expressions for the angular dependency of the far-field scattering components, that is, the phase function. I include recurrence formulas for practical evaluation and provide numerical examples to evaluate how well the new expressions match previous work in some limiting cases. The predicted difference in the scattering phase function due to inhomogeneity is not negligible for light entering an absorbing medium at an oblique angle. The presented theory could thus be useful for predicting scattering behavior in dye-based random lasing and in solar cell absorption enhancement.

In-situ measurements of scattering phase functions of stratospheric aerosol particles in Alaska during July 1979

NASA Technical Reports Server (NTRS)

Grams, G. W.

1981-01-01

A laser nephelometer developed for airborne measurements of polar scattering diagrams of atmospheric aerosols was flown on the NCAR Sabreliner aircraft to obtain data on light-scattering parameters for stratospheric aerosol particles over Alaska during July 1979. Observed values of the angular variation of scattered-light intensity were compared with those calculated for different values of the asymmetry parameter g in the Henyey-Greenstein phase function. The observations indicate that, for the time and location of the experiments, the Henyey-Greenstein phase function could be used to calculate polar scattering diagrams to within experimental errors for an asymmetry parameter value of 0.49 plus or minus 0.07.

A search for the production of direct leptons in nucleon-nucleus and nucleus-nucleus collisions. [Intermediate Energy Nuclear Physics Group, Dept. of Physics and Astronomy, Louisiana State Univ. , Baton Rouge

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

Kirk, P.N.

1992-12-15

Activities included contributions to the AMY Collaboration, the transverse energy detector, the Di-Lepton Spectrometer, with emphasis on the single-lepton experiment. Elastic and inelastic scattering differential cross sections and total cross sections are shown for [pi][sup +] and [pi][sup [minus

Parity Violation in Proton-Proton Scattering at Intermediate Energies

DOE R&D Accomplishments Database

Yuan, V.; Frauenfelder, H.; Harper, R. W.; Bowman, J. D.; Carlini, R.; MacArthur, D. W.; Mischke, R. E.; Nagle, D. E.; Talaga, R. L.; McDonald, A. B.

1986-05-01

Results of a measurement of parity nonconservation in the anti p-p total cross sections at 800-MeV are presented. The dependence of transmission on beam properties and correction for systematic errors are discussed. The measured longitudinal asymmetry is A{sub L} = (+2.4 +- 1.1(statistical) +- 0.1(systematic)) x 10{sup -7}. A proposed experiment at 230 MeV is discussed.

Approximating the Helium Wavefunction in Positronium-Helium Scattering

NASA Technical Reports Server (NTRS)

DiRienzi, Joseph; Drachman, Richard J.

2003-01-01

In the Kohn variational treatment of the positronium- hydrogen scattering problem the scattering wave function is approximated by an expansion in some appropriate basis set, but the target and projectile wave functions are known exactly. In the positronium-helium case, however, a difficulty immediately arises in that the wave function of the helium target atom is not known exactly, and there are several ways to deal with the associated eigenvalue in formulating the variational scattering equations to be solved. In this work we will use the Kohn variational principle in the static exchange approximation to d e t e e the zero-energy scattering length for the Ps-He system, using a suite of approximate target functions. The results we obtain will be compared with each other and with corresponding values found by other approximation techniques.

Folding of apomyoglobin: Analysis of transient intermediate structure during refolding using quick hydrogen deuterium exchange and NMR

PubMed Central

NISHIMURA, Chiaki

2017-01-01

The structures of apomyoglobin folding intermediates have been widely analyzed using physical chemistry methods including fluorescence, circular dichroism, small angle X-ray scattering, NMR, mass spectrometry, and rapid mixing. So far, at least two intermediates (on sub-millisecond- and millisecond-scales) have been demonstrated for apomyoglobin folding. The combination of pH-pulse labeling and NMR is a useful tool for analyzing the kinetic intermediates at the atomic level. Its use has revealed that the latter-phase kinetic intermediate of apomyoglobin (6 ms) was composed of helices A, B, G and H, whereas the equilibrium intermediate, called the pH 4 molten-globule intermediate, was composed mainly of helices A, G and H. The improved strategy for the analysis of the kinetic intermediate was developed to include (1) the dimethyl sulfoxide method, (2) data processing with the various labeling times, and (3) a new in-house mixer. Particularly, the rapid mixing revealed that helices A and G were significantly more protected at the earlier stage (400 µs) of the intermediate (former-phase intermediate) than the other helices. Mutation studies, where each hydrophobic residue was replaced with an alanine in helices A, B, E, F, G and H, indicated that both non-native and native-like structures exist in the latter-phase folding intermediate. The N-terminal part of helix B is a weak point in the intermediate, and the docking of helix E residues to the core of the A, B, G and H helices was interrupted by a premature helix B, resulting in the accumulation of the intermediate composed of helices A, B, G and H. The prediction-based protein engineering produced important mutants: Helix F in a P88K/A90L/S92K/A94L mutant folded in the latter-phase intermediate, although helix F in the wild type does not fold even at the native state. Furthermore, in the L11G/W14G/A70L/G73W mutant, helix A did not fold but helix E did, which is similar to what was observed in the kinetic intermediate of apoleghemoglobin. Thus, this protein engineering resulted in a changed structure for the apomyoglobin folding intermediate. PMID:28077807

Folding of apomyoglobin: Analysis of transient intermediate structure during refolding using quick hydrogen deuterium exchange and NMR.

PubMed

Nishimura, Chiaki

2017-01-01

The structures of apomyoglobin folding intermediates have been widely analyzed using physical chemistry methods including fluorescence, circular dichroism, small angle X-ray scattering, NMR, mass spectrometry, and rapid mixing. So far, at least two intermediates (on sub-millisecond- and millisecond-scales) have been demonstrated for apomyoglobin folding. The combination of pH-pulse labeling and NMR is a useful tool for analyzing the kinetic intermediates at the atomic level. Its use has revealed that the latter-phase kinetic intermediate of apomyoglobin (6 ms) was composed of helices A, B, G and H, whereas the equilibrium intermediate, called the pH 4 molten-globule intermediate, was composed mainly of helices A, G and H. The improved strategy for the analysis of the kinetic intermediate was developed to include (1) the dimethyl sulfoxide method, (2) data processing with the various labeling times, and (3) a new in-house mixer. Particularly, the rapid mixing revealed that helices A and G were significantly more protected at the earlier stage (400 µs) of the intermediate (former-phase intermediate) than the other helices. Mutation studies, where each hydrophobic residue was replaced with an alanine in helices A, B, E, F, G and H, indicated that both non-native and native-like structures exist in the latter-phase folding intermediate. The N-terminal part of helix B is a weak point in the intermediate, and the docking of helix E residues to the core of the A, B, G and H helices was interrupted by a premature helix B, resulting in the accumulation of the intermediate composed of helices A, B, G and H. The prediction-based protein engineering produced important mutants: Helix F in a P88K/A90L/S92K/A94L mutant folded in the latter-phase intermediate, although helix F in the wild type does not fold even at the native state. Furthermore, in the L11G/W14G/A70L/G73W mutant, helix A did not fold but helix E did, which is similar to what was observed in the kinetic intermediate of apoleghemoglobin. Thus, this protein engineering resulted in a changed structure for the apomyoglobin folding intermediate.

Photoacoustic tomography based on the Green's function retrieval with ultrasound interferometry for sample partially behind an acoustically scattering layer

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

Yin, Jie; Department of Automation, Nanjing Polytechnic Institute, 210048 Nanjing; Tao, Chao, E-mail: taochao@nju.edu.cn

2015-06-08

Acoustically inhomogeneous mediums with multiple scattering are often the nightmare of photoacoustic tomography. In order to break this limitation, a photoacoustic tomography scheme combining ultrasound interferometry and time reversal is proposed to achieve images in acoustically scattering medium. An ultrasound interferometry is developed to determine the unknown Green's function of strong scattering tissue. Using the determined Greens' function, a time-reversal process is carried out to restore images behind an acoustically inhomogeneous layer from the scattering photoacoustic signals. This method effectively decreases the false contrast, noise, and position deviation of images induced by the multiple scattering. Phantom experiment is carried outmore » to validate the method. Therefore, the proposed method could have potential value in extending the biomedical applications of photoacoustic tomography in acoustically inhomogeneous tissue.« less

Excitation of vibrational quanta in furfural by intermediate-energy electrons

NASA Astrophysics Data System (ADS)

Jones, D. B.; Neves, R. F. C.; Lopes, M. C. A.; da Costa, R. F.; Varella, M. T. do N.; Bettega, M. H. F.; Lima, M. A. P.; García, G.; Blanco, F.; Brunger, M. J.

2015-12-01

We report cross sections for electron-impact excitation of vibrational quanta in furfural, at intermediate incident electron energies (20, 30, and 40 eV). The present differential cross sections are measured over the scattered electron angular range 10°-90°, with corresponding integral cross sections subsequently being determined. Furfural is a viable plant-derived alternative to petrochemicals, being produced via low-temperature plasma treatment of biomass. Current yields, however, need to be significantly improved, possibly through modelling, with the present cross sections being an important component of such simulations. To the best of our knowledge, there are no other cross sections for vibrational excitation of furfural available in the literature, so the present data are valuable for this important molecule.

Effects of molecular and particle scatterings on the model parameter for remote-sensing reflectance.

PubMed

Lee, ZhongPing; Carder, Kendall L; Du, KePing

2004-09-01

For optically deep waters, remote-sensing reflectance (r(rs)) is traditionally expressed as the ratio of the backscattering coefficient (b(b)) to the sum of absorption and backscattering coefficients (a + b(b)) that multiples a model parameter (g, or the so-called f'/Q). Parameter g is further expressed as a function of b(b)/(a + b(b)) (or b(b)/a) to account for its variation that is due to multiple scattering. With such an approach, the same g value will be derived for different a and b(b) values that provide the same ratio. Because g is partially a measure of the angular distribution of upwelling light, and the angular distribution from molecular scattering is quite different from that of particle scattering; g values are expected to vary with different scattering distributions even if the b(b)/a ratios are the same. In this study, after numerically demonstrating the effects of molecular and particle scatterings on the values of g, an innovative r(rs) model is developed. This new model expresses r(rs) in two separate terms: one governed by the phase function of molecular scattering and one governed by the phase function of particle scattering, with a model parameter introduced for each term. In this way the phase function effects from molecular and particle scatterings are explicitly separated and accounted for. This new model provides an analytical tool to understand and quantify the phase-function effects on r(rs), and a platform to calculate r(rs) spectrum quickly and accurately that is required for remote-sensing applications.

A novel hybrid scattering order-dependent variance reduction method for Monte Carlo simulations of radiative transfer in cloudy atmosphere

NASA Astrophysics Data System (ADS)

Wang, Zhen; Cui, Shengcheng; Yang, Jun; Gao, Haiyang; Liu, Chao; Zhang, Zhibo

2017-03-01

We present a novel hybrid scattering order-dependent variance reduction method to accelerate the convergence rate in both forward and backward Monte Carlo radiative transfer simulations involving highly forward-peaked scattering phase function. This method is built upon a newly developed theoretical framework that not only unifies both forward and backward radiative transfer in scattering-order-dependent integral equation, but also generalizes the variance reduction formalism in a wide range of simulation scenarios. In previous studies, variance reduction is achieved either by using the scattering phase function forward truncation technique or the target directional importance sampling technique. Our method combines both of them. A novel feature of our method is that all the tuning parameters used for phase function truncation and importance sampling techniques at each order of scattering are automatically optimized by the scattering order-dependent numerical evaluation experiments. To make such experiments feasible, we present a new scattering order sampling algorithm by remodeling integral radiative transfer kernel for the phase function truncation method. The presented method has been implemented in our Multiple-Scaling-based Cloudy Atmospheric Radiative Transfer (MSCART) model for validation and evaluation. The main advantage of the method is that it greatly improves the trade-off between numerical efficiency and accuracy order by order.

Chaperonin GroEL Reassembly: An Effect of Protein Ligands and Solvent Composition

PubMed Central

Ryabova, Nataliya; Marchenkov, Victor; Kotova, Nina; Semisotnov, Gennady

2014-01-01

Chaperonin GroEL is a complex oligomeric heat shock protein (Hsp60) assisting the correct folding and assembly of other proteins in the cell. An intriguing question is how GroEL folds itself. According to the literature, GroEL reassembly is dependent on chaperonin ligands and solvent composition. Here we demonstrate dependence of GroEL reassembly efficiency on concentrations of the essential factors (Mg2+, ADP, ATP, GroES, ammonium sulfate, NaCl and glycerol). Besides, kinetics of GroEL oligomerization in various conditions was monitored by the light scattering technique and proved to be two-exponential, which suggested accumulation of a certain oligomeric intermediate. This intermediate was resolved as a heptamer by nondenaturing blue electrophoresis of GroEL monomers during their assembly in the presence of both Mg-ATP and co-chaperonin GroES. Presumably, this intermediate heptamer plays a key role in formation of the GroEL tetradecameric particle. The role of co-chaperonin GroES (Hsp10) in GroEL assembly is also discussed. PMID:24970225

ATP-induced noncooperative thermal unfolding of hen lysozyme

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

Liu, Honglin; Yin, Peidong; He, Shengnan

To understand the role of ATP underlying the enhanced amyloidosis of hen egg white lysozyme (HEWL), the synchrotron radiation circular dichroism, combined with tryptophan fluorescence, dynamic light-scattering, and differential scanning calorimetry, is used to examine the alterations of the conformation and thermal unfolding pathway of the HEWL in the presence of ATP, Mg{sup 2+}-ATP, ADP, AMP, etc. It is revealed that the binding of ATP to HEWL through strong electrostatic interaction changes the secondary structures of HEWL and makes the exposed residue W62 move into hydrophobic environments. This alteration of W62 decreases the {beta}-domain stability of HEWL, induces a noncooperativemore » unfolding of the secondary structures, and produces a partially unfolded intermediate. This intermediate containing relatively rich {alpha}-helix and less {beta}-sheet structures has a great tendency to aggregate. The results imply that the ease of aggregating of HEWL is related to the extent of denaturation of the amyloidogenic region, rather than the electrostatic neutralizing effect or monomeric {beta}-sheet enriched intermediate.« less

Self-Assembled CNT-Polymer Hybrids in Single-Walled Carbon Nanotubes Dispersed Aqueous Triblock Copolymer Solutions

NASA Astrophysics Data System (ADS)

Vijayaraghavan, D.; Manjunatha, A. S.; Poojitha, C. G.

2018-04-01

We have carried out scanning electron microscopy (SEM), differential scanning calorimetry (DSC), small angle X-ray scattering (SAXS), electrical conductivity, and 1H NMR studies as a function of temperature on single-walled carbon nanotubes (SWCNTs) dispersed aqueous triblock copolymer (P123) solutions. The single-walled carbon nanotubes in this system aggregate to form bundles, and the bundles aggregate to form net-like structures. Depending on the temperature and phases of the polymer, this system exhibits three different self-assembled CNT-polymer hybrids. We find CNT-unimer hybrid at low temperatures, CNT-micelle hybrid at intermediate temperatures wherein the polymer micelles are adsorbed in the pores of the CNT nets, and another type of CNT-micelle hybrid at high temperatures wherein the polymer micelles are adsorbed on the surface of the CNT bundles. Our DSC thermogram showed two peaks related to these structural changes in the CNT-polymer hybrids. Temperature dependence of the 1H NMR chemical shifts of the molecular groups of the polymer and the AC electrical conductivity of the composite also showed discontinuous changes at the temperatures at which the CNT-polymer hybrid's structural changes are seen. Interestingly, for a higher CNT concentration (0.5 wt.%) in the system, the aggregated polymer micelles adsorbed on the CNTs exhibit cone-like and cube-like morphologies at the intermediate and at high temperatures respectively.

Two-dimensional analytic weighting functions for limb scattering

NASA Astrophysics Data System (ADS)

Zawada, D. J.; Bourassa, A. E.; Degenstein, D. A.

2017-10-01

Through the inversion of limb scatter measurements it is possible to obtain vertical profiles of trace species in the atmosphere. Many of these inversion methods require what is often referred to as weighting functions, or derivatives of the radiance with respect to concentrations of trace species in the atmosphere. Several radiative transfer models have implemented analytic methods to calculate weighting functions, alleviating the computational burden of traditional numerical perturbation methods. Here we describe the implementation of analytic two-dimensional weighting functions, where derivatives are calculated relative to atmospheric constituents in a two-dimensional grid of altitude and angle along the line of sight direction, in the SASKTRAN-HR radiative transfer model. Two-dimensional weighting functions are required for two-dimensional inversions of limb scatter measurements. Examples are presented where the analytic two-dimensional weighting functions are calculated with an underlying one-dimensional atmosphere. It is shown that the analytic weighting functions are more accurate than ones calculated with a single scatter approximation, and are orders of magnitude faster than a typical perturbation method. Evidence is presented that weighting functions for stratospheric aerosols calculated under a single scatter approximation may not be suitable for use in retrieval algorithms under solar backscatter conditions.

The nuclear spin response to intermediate energy protons

NASA Astrophysics Data System (ADS)

Baker, F. T.; Bimbot, L.; Castel, B.; Fergerson, R. W.; Glashausser, C.; Green, A.; Hausser, O.; Hicks, K.; Jones, K.; Miller, C. A.; Nanda, S. K.; Smith, R. D.; Vetterli, M.; Wambach, J.; Abegg, R.; Beatty, D.; Cupps, V.; Djalali, C.; Henderson, R.; Jackson, K. P.; Jeppeson, R.; Lisantti, J.; Morlet, M.; Sawafta, R.; Unkelbach, W.; Willis, A.; Yen, S.

1990-03-01

Measurements of the spin-flip probability Snn for inclusive inelastic proton scattering around 300 MeV from nuclei between 12C and 90Zr show that an enhanced spin response near 40 MeV excitation at q ∼ 100 MeV/ c is a general feature of nuclear structure. Data for 40Ca at 800 MeV confirm that the enhancement is not a peculiarity of 300 MeV scattering. In addition, measurements in 44Ca up to 75 MeV show that the enhancement cannot be attributed solely to a relatively narrow resonance. Continuum RPA calculations suggest that the enhancement is due to the exhaustion of most S = 0 strength at lower energy and a shift of S = 1 strength to higher energy.

Towards a data-driven analysis of hadronic light-by-light scattering

NASA Astrophysics Data System (ADS)

Colangelo, Gilberto; Hoferichter, Martin; Kubis, Bastian; Procura, Massimiliano; Stoffer, Peter

2014-11-01

The hadronic light-by-light contribution to the anomalous magnetic moment of the muon was recently analyzed in the framework of dispersion theory, providing a systematic formalism where all input quantities are expressed in terms of on-shell form factors and scattering amplitudes that are in principle accessible in experiment. We briefly review the main ideas behind this framework and discuss the various experimental ingredients needed for the evaluation of one- and two-pion intermediate states. In particular, we identify processes that in the absence of data for doubly-virtual pion-photon interactions can help constrain parameters in the dispersive reconstruction of the relevant input quantities, the pion transition form factor and the helicity partial waves for γ*γ* → ππ.

Temperature dependence of Brillouin light scattering spectra of acoustic phonons in silicon

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

Olsson, Kevin S.; Klimovich, Nikita; An, Kyongmo

2015-02-02

Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. The need for a better understanding of such non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report the measured BLS spectra of silicon at different temperatures. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in ordermore » to evaluate their potential use as temperature sensors for acoustic phonons.« less

Hybridization and electron-phonon coupling in ferroelectric BaTiO3 probed by resonant inelastic x-ray scattering

NASA Astrophysics Data System (ADS)

Fatale, S.; Moser, S.; Miyawaki, J.; Harada, Y.; Grioni, M.

2016-11-01

We investigated the ferroelectric perovskite material BaTiO3 by resonant inelastic x-ray scattering (RIXS) at the Ti L3 edge. We observe with decreasing temperature a transfer of spectral weight from the elastic to the charge-transfer spectral features, indicative of increasing Ti 3 d -O 2 p hybridization. When the incident photon energy selects transitions to the Ti 3 d eg manifold, the quasielastic RIXS response exhibits a tail indicative of phonon excitations. A fit of the spectral line shape by a theoretical model allows us to estimate the electron-phonon coupling strength M ˜0.25 eV, which places BaTiO3 in the intermediate coupling regime.

Effect of second-order exchange in electron-hydrogen scattering

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

Madison, D.H.; Bray, I.; McCarthy, I.

1990-05-07

The electron-hydrogen scattering problem has been a nemesis to theoretical atomic physicists due to the fact that even the most sophisticated of theoretical calculations, both perturbative and nonperturbative, do not agree with experiment. The current opinion is that the perturbative approach cannot be used for this problem since recent second-order calculations are not in agreement with the experimental data and higher-order calculations are deemed impractical. However, these second-order calculations neglected second-order exchange. We have now added exchange to the second-order calculation and have found that the primary source of disagreement between experiment and theory for intermediate energies is attributable notmore » to higher-order terms but to second-order exchange.« less

Revealing the electronic structure of LiC 6 by soft X-ray spectroscopy

DOE PAGES

Zhang, L.; Li, X.; Augustsson, A.; ...

2017-03-09

The electronic structure of LiC 6 has been investigated in this paper by soft X-ray absorption and emission spectroscopies. The results reveal that upon full lithiation of graphite, the Li 2s electrons are transferred into the carbon π* states in a near rigid-band behavior, resulting in the increased density of states near E F and the shift of σ* states to lower energies. Finally, in addition, the resonant inelastic X-ray scattering spectra of LiC 6 do not show strong dispersive features as that of graphite, indicating that the crystal momentum is not conserved during the scattering process due to themore » delocalization of electrons in the intermediate state.« less

Connection of Scattering Principles: A Visual and Mathematical Tour

ERIC Educational Resources Information Center

Broggini, Filippo; Snieder, Roel

2012-01-01

Inverse scattering, Green's function reconstruction, focusing, imaging and the optical theorem are subjects usually studied as separate problems in different research areas. We show a physical connection between the principles because the equations that rule these "scattering principles" have a similar functional form. We first lead the reader…

Measurements of the skylight scattering function.

PubMed

Volz, F E

1987-10-01

A small, handheld skylight photometer, incorporated into a sun photometer and capable of measuring sky radiation to within 2 degrees of the sun at lambda 0.50 and 0.93 microm is described. Calibration procedures are discussed; solar measurements in the wideband 0.93-microm channel show the expected influence of water vapor. Formulas to obtain the aerosol scattering function are presented. Samples of measured and theoretical aerosol scattering functions are discussed.

Multiple scattered radiation emerging from continental haze layers. 1: Radiance, polarization, and neutral points

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.; Hitzfelder, S. J.

1975-01-01

The complete radiation field is calculated for scattering layers of various optical thicknesses. Results obtained for Rayleigh and haze scattering are compared. Calculated radiances show differences as large as 23% compared to the approximate scalar theory of radiative transfer, while the same differences are approximately 0.1% for a continental haze phase function. The polarization of reflected and transmitted radiation is given for various optical thicknesses, solar zenith angles, and surface albedos. Two types of neutral points occur for aerosol phase functions. Rayleigh-like neutral points arise from zero polarization that occurs at scattering angles of 0 deg and 180 deg. For Rayleigh phase functions, the position of these points varies with the optical thickness of the scattering layer. Non-Rayleigh neutral points are associated with the zeros of polarization which occur between the end points of the single scattering curve, and are found over a wide range of azimuthal angles.

Effective phase function of light scattered at small angles by polydisperse particulate media

NASA Astrophysics Data System (ADS)

Turcu, I.

2008-06-01

Particles with typical dimensions higher than the light wavelength and relative refraction indexes close to one, scatter light mainly in the forward direction where the scattered light intensity has a narrow peak. For particulate media accomplishing these requirements the light scattered at small angles in a far-field detecting set-up can be described analytically by an effective phase function (EPF) even in the multiple scattering regime. The EPF model which was built for monodispersed systems has been extended to polydispersed media. The main ingredients consist in the replacement of the single particle phase function and of the optical thickness with their corresponding averaged values. Using a Gamma particle size distribution (PSD) as a testing model, the effect of polydispersity was systematically investigated. The increase of the average radius or/and of the PSD standard deviation leads to the decrease of the angular spreading of the small angle scattered light.

A study of nondiffracting Lommel beams propagating in a medium containing spherical scatterers

NASA Astrophysics Data System (ADS)

Belafhal, A.; Ez-zariy, L.; Hricha, Z.

2016-11-01

By means of the expansion of the nondiffracting beams on plane waves with help of the Whittaker integral, an exact analytical expression of the far-field form function of the scattering of the acoustic and optical nondiffracting Lommel beams propagating in a medium containing spherical particles, considered as rigid and single spheres, is investigated in this work. The form function of the scattering of the high order Bessel beam by a rigid and isolated sphere is deduced, from our finding, as a special case. The effects of the wave number-sphere radius product (ka) , the polar angle (φ) , the propagation half-cone angle (β) and the scattering angle (θ) on the far-field form function of the scattered wave have been analyzed and discussed numerically. The numerical results show that the illumination of a rigid sphere by Lommel beams produces asymmetrical scattering.

15-digit accuracy calculations of Ambartsumian-Chandrasekhar's H-functions for four-term phase functions with the double-exponential formula

NASA Astrophysics Data System (ADS)

Kawabata, Kiyoshi

2018-01-01

We have established an iterative scheme to calculate with 15-digit accuracy the numerical values of Ambartsumian-Chandrasekhar's H-functions for anisotropic scattering characterized by the four-term phase function: the method incorporates some advantageous features of the iterative procedure of Kawabata (Astrophys. Space Sci. 358:32, 2015) and the double-exponential integration formula (DE-formula) of Takahashi and Mori (Publ. Res. Inst. Math. Sci. Kyoto Univ. 9:721, 1974), which proved highly effective in Kawabata (Astrophys. Space Sci. 361:373, 2016). Actual calculations of the H-functions have been carried out employing 27 selected cases of the phase function, 56 values of the single scattering albedo π0, and 36 values of an angular variable μ(= cosθ), with θ being the zenith angle specifying the direction of incidence and/or emergence of radiation. Partial results obtained for conservative isotropic scattering, Rayleigh scattering, and anisotropic scattering due to a full four-term phase function are presented. They indicate that it is important to simultaneously verify accuracy of the numerical values of the H-functions for μ<0.05, the domain often neglected in tabulation. As a sample application of the isotropic scattering H-function, an attempt is made in Appendix to simulate by iteratively solving the Ambartsumian equation the values of the plane and spherical albedos of a semi-infinite, homogeneous atmosphere calculated by Rogovtsov and Borovik (J. Quant. Spectrosc. Radiat. Transf. 183:128, 2016), who employed their analytical representations for these quantities and the single-term and two-term Henyey-Greenstein phase functions of appreciably high degrees of anisotropy. While our results are in satisfactory agreement with theirs, our procedure is in need of a faster algorithm to routinely deal with problems involving highly anisotropic phase functions giving rise to near-conservative scattering.

Two-component scattering model and the electron density spectrum

NASA Astrophysics Data System (ADS)

Zhou, A. Z.; Tan, J. Y.; Esamdin, A.; Wu, X. J.

2010-02-01

In this paper, we discuss a rigorous treatment of the refractive scintillation caused by a two-component interstellar scattering medium and a Kolmogorov form of density spectrum. It is assumed that the interstellar scattering medium is composed of a thin-screen interstellar medium (ISM) and an extended interstellar medium. We consider the case that the scattering of the thin screen concentrates in a thin layer represented by a δ function distribution and that the scattering density of the extended irregular medium satisfies the Gaussian distribution. We investigate and develop equations for the flux density structure function corresponding to this two-component ISM geometry in the scattering density distribution and compare our result with the observations. We conclude that the refractive scintillation caused by this two-component ISM scattering gives a more satisfactory explanation for the observed flux density variation than does the single extended medium model. The level of refractive scintillation is strongly sensitive to the distribution of scattering material along the line of sight (LOS). The theoretical modulation indices are comparatively less sensitive to the scattering strength of the thin-screen medium, but they critically depend on the distance from the observer to the thin screen. The logarithmic slope of the structure function is sensitive to the scattering strength of the thin-screen medium, but is relatively insensitive to the thin-screen location. Therefore, the proposed model can be applied to interpret the structure functions of flux density observed in pulsar PSR B2111 + 46 and PSR B0136 + 57. The result suggests that the medium consists of a discontinuous distribution of plasma turbulence embedded in the interstellar medium. Thus our work provides some insight into the distribution of the scattering along the LOS to the pulsar PSR B2111 + 46 and PSR B0136 + 57.

Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering in Outer RB

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K. V.

2007-01-01

We present the equatorial and bounce average pitch angle diffusion coefficients for scattering of relativistic electrons by the H+ mode of EMIC waves. Both the model (prescribed) and self consistent distributions over the wave normal angle are considered. The main results of our calculation can be summarized as follows: First, in comparison with field aligned waves, the intermediate and highly oblique waves reduce the pitch angle range subject to diffusion, and strongly suppress the scattering rate for low energy electrons (E less than 2 MeV). Second, for electron energies greater than 5 MeV, the |n| = 1 resonances operate only in a narrow region at large pitch-angles, and despite their greatest contribution in case of field aligned waves, cannot cause electron diffusion into the loss cone. For those energies, oblique waves at |n| greater than 1 resonances are more effective, extending the range of pitch angle diffusion down to the loss cone boundary, and increasing diffusion at small pitch angles by orders of magnitude.

Important role of projectile excitation in 16O+60Ni and 16O+27Al scattering at intermediate energies

NASA Astrophysics Data System (ADS)

Zagatto, V. A. B.; Cappuzzello, F.; Lubian, J.; Cavallaro, M.; Linares, R.; Carbone, D.; Agodi, C.; Foti, A.; Tudisco, S.; Wang, J. S.; Oliveira, J. R. B.; Hussein, M. S.

2018-05-01

The elastic scattering angular distribution of the 16O+60Ni system at 260 MeV was measured in the range of the Rutherford cross section down to seven orders of magnitude. The cross sections of the lowest 2+ and 3- inelastic states of the target were also measured over several orders of magnitude. Coupled-channel (CC) calculations were performed and are shown to be compatible with the whole set of data only when including the excitation of the projectile and when the deformations of the imaginary part of the nuclear optical potential are taken into account. Similar results were obtained when the procedure is applied to the existing data on 16O+27Al elastic and inelastic scattering at 100 and 280 MeV. An analysis in terms of dynamical polarization potentials (DPP) indicates the major role of coupled-channel effects in the overlapping surface region of the colliding nuclei.

Magnons and continua in a magnetized and dimerized spin - 1 2 chain

DOE PAGES

Stone, M. B.; Chen, Y.; Reich, D. H.; ...

2014-09-29

We examine the magnetic field dependent excitations of the dimerized spin -1/2 chain, copper nitrate, with antiferromagnetic intra-dimer exchangemore » $$J_1=0.44$$ (1) meV and exchange alternation $$\\alpha=J_2/J_1=0.26$$ (2). Magnetic excitations in three distinct regimes of magnetization are probed through inelastic neutron scattering at low temperatures. At low and high fields there are three and two long-lived magnon-like modes, respectively. The number of modes and the anti-phase relationship between the wave-vector dependent energy and intensity of magnon scattering reflect the distinct ground states: A singlet ground state at low fields $$\\mu_0H < \\mu_0H_{c1} = 2.8$$ T and an $$S_z=1/2$$ product state at high fields $$\\mu_0H > \\mu_0H_{c2} = 4.2$$ T. Lastly, in the intermediate field regime, a continuum of scattering for $$\\hbar\\omega\\approx J_1$$ is indicative of a strongly correlated gapless quantum state without coherent magnons.« less

Electron-exchange and quantum screening effects on the Thomson scattering process in quantum Fermi plasmas

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

Lee, Gyeong Won; Jung, Young-Dae; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, New York 12180-3590

2013-06-15

The influence of the electron-exchange and quantum screening on the Thomson scattering process is investigated in degenerate quantum Fermi plasmas. The Thomson scattering cross section in quantum plasmas is obtained by the plasma dielectric function and fluctuation-dissipation theorem as a function of the electron-exchange parameter, Fermi energy, plasmon energy, and wave number. It is shown that the electron-exchange effect enhances the Thomson scattering cross section in quantum plasmas. It is also shown that the differential Thomson scattering cross section has a minimum at the scattering angle Θ=π/2. It is also found that the Thomson scattering cross section increases with anmore » increase of the Fermi energy. In addition, the Thomson scattering cross section is found to be decreased with increasing plasmon energy.« less

Auto-ignitions of a methane/air mixture at high and intermediate temperatures

NASA Astrophysics Data System (ADS)

Leschevich, V. V.; Martynenko, V. V.; Penyazkov, O. G.; Sevrouk, K. L.; Shabunya, S. I.

2016-09-01

A rapid compression machine (RCM) and a shock tube (ST) have been employed to study ignition delay times of homogeneous methane/air mixtures at intermediate-to-high temperatures. Both facilities allow measurements to be made at temperatures of 900-2000 K, at pressures of 0.38-2.23 MPa, and at equivalence ratios of 0.5, 1.0, and 2.0. In ST experiments, nitrogen served as a diluent gas, whereas in RCM runs the diluent gas composition ranged from pure nitrogen to pure argon. Recording pressure, UV, and visible emissions identified the evolution of chemical reactions. Correlations of ignition delay time were generated from the data for each facility. At temperatures below 1300 K, a significant reduction of average activation energy from 53 to 15.3 kcal/mol was obtained. Moreover, the RCM data showed significant scatter that dramatically increased with decreasing temperature. An explanation for the abnormal scatter in the data was proposed based on the high-speed visualization of auto-ignition phenomena and experiments performed with oxygen-free and fuel-free mixtures. It is proposed that the main reason for such a significant reduction of average activation energy is attributable to the premature ignition of ultrafine particles in the reactive mixture.

Towards a Resolution of the Proton Form Factor Problem: New Electron and Positron Scattering Data

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

Adikaram, D.; Rimal, D.; Weinstein, L. B.

There is a significant discrepancy between the values of the proton electric form factor, GpE, extracted using unpolarized and polarized electron scattering. Calculations predict that small two-photon exchange (TPE) contributions can significantly affect the extraction of GpE from the unpolarized electron-proton cross sections. We determined the TPE contribution by measuring the ratio of positron-proton to electron-proton elastic scattering cross sections using a simultaneous, tertiary electron-positron beam incident on a liquid hydrogen target and detecting the scattered particles in the Jefferson Lab CLAS detector. This novel technique allowed us to cover a wide range in virtual photon polarization (epsilon) and momentummore » transfer (Q2) simultaneously, as well as to cancel luminosity-related systematic errors. The cross section ratio increases with decreasing ε at Q2=1.45 GeV2. This measurement is consistent with the size of the form factor discrepancy at Q2≈1.75 GeV2 and with hadronic calculations including nucleon and Delta intermediate states, which have been shown to resolve the discrepancy up to 2-3 GeV2.« less

Electrochemical exfoliation of graphite to stage-III graphite bisulfate flakes in low concentration sulfuric acid solution: A novel synthesis route to completely trilayer graphene suspension

NASA Astrophysics Data System (ADS)

Mir, Afkham; Shukla, Anupam

2018-06-01

Graphene produced from electrochemical exfoliation of graphite show a scatter in the number of layers. This scatter is a serious drawback for sensor and opto-electronic applications since the electronic properties of graphene change with number of layers. The scatter in the layer number of graphene is caused by formation of the intermediate graphite intercalation compounds (GIC) of different stage numbers as well as simultaneous cleaving of the GICs in the dispersion-unsuitable aqueous environment. In this work, we show the synthesis of stage-III graphite bisulfate (GB) enriched flakes by electrochemical exfoliation of graphite in low concentration (0.1 M) sulfuric acid from two different routes. We further show that the intercalated bisulfate planes provide sites for selective cleaving of the GB particles to trilayer graphene in DMF, a solvent favorable for graphene dispersion. Morphological characterizations show that while GB particles from one of the routes give graphene with a small scatter in the layer numbers, the other route provides a completely trilayer graphene dispersion. TEM and optical micrographs show graphene flakes have linear dimensions of several micrometers and a low aspect ratio suitable for use in sensor applications.

Towards a Resolution of the Proton Form Factor Problem: New Electron and Positron Scattering Data

DOE PAGES

Adikaram, D.; Rimal, D.; Weinstein, L. B.; ...

2015-02-10

There is a significant discrepancy between the values of the proton electric form factor, GpE, extracted using unpolarized and polarized electron scattering. Calculations predict that small two-photon exchange (TPE) contributions can significantly affect the extraction of GpE from the unpolarized electron-proton cross sections. We determined the TPE contribution by measuring the ratio of positron-proton to electron-proton elastic scattering cross sections using a simultaneous, tertiary electron-positron beam incident on a liquid hydrogen target and detecting the scattered particles in the Jefferson Lab CLAS detector. This novel technique allowed us to cover a wide range in virtual photon polarization (epsilon) and momentummore » transfer (Q2) simultaneously, as well as to cancel luminosity-related systematic errors. The cross section ratio increases with decreasing ε at Q2=1.45 GeV2. This measurement is consistent with the size of the form factor discrepancy at Q2≈1.75 GeV2 and with hadronic calculations including nucleon and Delta intermediate states, which have been shown to resolve the discrepancy up to 2-3 GeV2.« less

Towards a resolution of the proton form factor problem: new electron and positron scattering data.

PubMed

Adikaram, D; Rimal, D; Weinstein, L B; Raue, B; Khetarpal, P; Bennett, R P; Arrington, J; Brooks, W K; Adhikari, K P; Afanasev, A V; Amaryan, M J; Anderson, M D; Anefalos Pereira, S; Avakian, H; Ball, J; Battaglieri, M; Bedlinskiy, I; Biselli, A S; Bono, J; Boiarinov, S; Briscoe, W J; Burkert, V D; Carman, D S; Careccia, S; Celentano, A; Chandavar, S; Charles, G; Colaneri, L; Cole, P L; Contalbrigo, M; Crede, V; D'Angelo, A; Dashyan, N; De Vita, R; De Sanctis, E; Deur, A; Djalali, C; Dodge, G E; Dupre, R; Egiyan, H; El Alaoui, A; El Fassi, L; Elouadrhiri, L; Eugenio, P; Fedotov, G; Fegan, S; Filippi, A; Fleming, J A; Fradi, A; Garillon, B; Gilfoyle, G P; Giovanetti, K L; Girod, F X; Goetz, J T; Gohn, W; Golovatch, E; Gothe, R W; Griffioen, K A; Guegan, B; Guidal, M; Guo, L; Hafidi, K; Hakobyan, H; Hanretty, C; Harrison, N; Hattawy, M; Hicks, K; Holtrop, M; Hughes, S M; Hyde, C E; Ilieva, Y; Ireland, D G; Ishkhanov, B S; Jenkins, D; Jiang, H; Jo, H S; Joo, K; Joosten, S; Kalantarians, N; Keller, D; Khandaker, M; Kim, A; Kim, W; Klein, A; Klein, F J; Koirala, S; Kubarovsky, V; Kuhn, S E; Livingston, K; Lu, H Y; MacGregor, I J D; Markov, N; Mattione, P; Mayer, M; McKinnon, B; Mestayer, M D; Meyer, C A; Mirazita, M; Mokeev, V; Montgomery, R A; Moody, C I; Moutarde, H; Movsisyan, A; Camacho, C Munoz; Nadel-Turonski, P; Niccolai, S; Niculescu, G; Osipenko, M; Ostrovidov, A I; Park, K; Pasyuk, E; Peña, C; Pisano, S; Pogorelko, O; Price, J W; Procureur, S; Prok, Y; Protopopescu, D; Puckett, A J R; Ripani, M; Rizzo, A; Rosner, G; Rossi, P; Roy, P; Sabatié, F; Salgado, C; Schott, D; Schumacher, R A; Seder, E; Sharabian, Y G; Simonyan, A; Skorodumina, I; Smith, E S; Smith, G D; Sober, D I; Sokhan, D; Sparveris, N; Stepanyan, S; Stoler, P; Strauch, S; Sytnik, V; Taiuti, M; Tian, Ye; Trivedi, A; Ungaro, M; Voskanyan, H; Voutier, E; Walford, N K; Watts, D P; Wei, X; Wood, M H; Zachariou, N; Zana, L; Zhang, J; Zhao, Z W; Zonta, I

2015-02-13

There is a significant discrepancy between the values of the proton electric form factor, G(E)(p), extracted using unpolarized and polarized electron scattering. Calculations predict that small two-photon exchange (TPE) contributions can significantly affect the extraction of G(E)(p) from the unpolarized electron-proton cross sections. We determined the TPE contribution by measuring the ratio of positron-proton to electron-proton elastic scattering cross sections using a simultaneous, tertiary electron-positron beam incident on a liquid hydrogen target and detecting the scattered particles in the Jefferson Lab CLAS detector. This novel technique allowed us to cover a wide range in virtual photon polarization (ϵ) and momentum transfer (Q(2)) simultaneously, as well as to cancel luminosity-related systematic errors. The cross section ratio increases with decreasing ϵ at Q(2)=1.45  GeV(2). This measurement is consistent with the size of the form factor discrepancy at Q(2)≈1.75  GeV(2) and with hadronic calculations including nucleon and Δ intermediate states, which have been shown to resolve the discrepancy up to 2-3  GeV(2).

The Effects of Scattered Light from Optical Components on Visual Function

DTIC Science & Technology

2016-02-01

zones (e.g., 0-5° vs 5-10°) occurs, then the general distribution of scatter, uniform or not, or that some ratio of scatter between different angular...affect the sensitivity of the eye and none reported having refractive surgery within the past year (photorefractive keratectomy ( PRK ) or laser...assisted in situ keratomileusis ( LASIK )). They performed all the visual function tasks monocularly, using the right eye. 2.3 Visual Function Assessment

The metallicity of the intracluster medium over cosmic time: further evidence for early enrichment

DOE PAGES

Mantz, Adam B.; Allen, Steven W.; Morris, R. Glenn; ...

2017-08-26

Here, we use Chandra X-ray data to measure the metallicity of the intracluster medium (ICM) in 245 massive galaxy clusters selected from X-ray and Sunyaev–Zel'dovich (SZ) effect surveys, spanning redshifts 0 < z < 1.2. Metallicities were measured in three different radial ranges, spanning cluster cores through their outskirts. We explore trends in these measurements as a function of cluster redshift, temperature and surface brightness ‘peakiness’ (a proxy for gas cooling efficiency in cluster centres). The data at large radii (0.5–1 r500) are consistent with a constant metallicity, while at intermediate radii (0.1–0.5 r500) we see a late-time increase inmore » enrichment, consistent with the expected production and mixing of metals in cluster cores. In cluster centres, there are strong trends of metallicity with temperature and peakiness, reflecting enhanced metal production in the lowest entropy gas. Within the cool-core/sharply peaked cluster population, there is a large intrinsic scatter in central metallicity and no overall evolution, indicating significant astrophysical variations in the efficiency of enrichment. The central metallicity in clusters with flat surface brightness profiles is lower, with a smaller intrinsic scatter, but increases towards lower redshifts. Our results are consistent with other recent measurements of ICM metallicity as a function of redshift. They reinforce the picture implied by observations of uniform metal distributions in the outskirts of nearby clusters, in which most of the enrichment of the ICM takes place before cluster formation, with significant later enrichment taking place only in cluster centres, as the stellar populations of the central galaxies evolve.« less

Visual Function Metrics in Early and Intermediate Dry Age-related Macular Degeneration for Use as Clinical Trial Endpoints.

PubMed

Cocce, Kimberly J; Stinnett, Sandra S; Luhmann, Ulrich F O; Vajzovic, Lejla; Horne, Anupama; Schuman, Stefanie G; Toth, Cynthia A; Cousins, Scott W; Lad, Eleonora M

2018-05-01

To evaluate and quantify visual function metrics to be used as endpoints of age-related macular degeneration (AMD) stages and visual acuity (VA) loss in patients with early and intermediate AMD. Cross-sectional analysis of baseline data from a prospective study. One hundred and one patients were enrolled at Duke Eye Center: 80 patients with early AMD (Age-Related Eye Disease Study [AREDS] stage 2 [n = 33] and intermediate stage 3 [n = 47]) and 21 age-matched, normal controls. A dilated retinal examination, macular pigment optical density measurements, and several functional assessments (best-corrected visual acuity, macular integrity assessment mesopic microperimety, dark adaptometry, low-luminance visual acuity [LLVA] [standard using a log 2.0 neutral density filter and computerized method], and cone contrast test [CCT]) were performed. Low-luminance deficit (LLD) was defined as the difference in numbers of letters read at standard vs low luminance. Group comparisons were performed to evaluate differences between the control and the early and intermediate AMD groups using 2-sided significance tests. Functional measures that significantly distinguished between normal and intermediate AMD were standard and computerized (0.5 cd/m 2 ) LLVA, percent reduced threshold and average threshold on microperimetry, CCTs, and rod intercept on dark adaptation (P < .05). The intermediate group demonstrated deficits in microperimetry reduced threshhold, computerized LLD2, and dark adaptation (P < .05) relative to early AMD. Our study suggests that LLVA, microperimetry, CCT, and dark adaptation may serve as functional measures differentiating early-to-intermediate stages of dry AMD. Copyright © 2018 Elsevier Inc. All rights reserved.

Light scattering by randomly oriented cubes and parallelepipeds. [for interpretation of observed data from planetary atmospheres

NASA Technical Reports Server (NTRS)

Liou, K. N.; Cai, Q.; Pollack, J. B.; Cuzzi, J. N.

1983-01-01

In this paper, the geometric ray tracing theory for the scattering of light by hexagonal cylinders to cubes and parallelepipeds has been modified. Effects of the real and imaginary parts of the refractive index and aspect ratio of the particle on the scattering phase function and the degree of linear polarization are investigated. Causes of the physical features in the scattering polarization patterns are identified in terms of the scattering contribution due to geometric reflections and refractions. The single-scattering phase function and polarization data presented in this paper should be of some use for the interpretation of observed scattering and polarization data from planetary atmospheres and for the physical understanding of the transfer of radiation in an atmosphere containing nonspherical particles.

Two-photon excitation cross-section in light and intermediate atoms

NASA Technical Reports Server (NTRS)

Omidvar, K.

1980-01-01

The method of explicit summation over the intermediate states is used along with LS coupling to derive an expression for two-photon absorption cross section in light and intermediate atoms in terms of integrals over radial wave functions. Two selection rules, one exact and one approximate, are also derived. In evaluating the radial integrals, for low-lying levels, the Hartree-Fock wave functions, and for high-lying levels, hydrogenic wave functions obtained by the quantum defect method are used. A relationship between the cross section and the oscillator strengths is derived. Cross sections due to selected transitions in nitrogen, oxygen, and chlorine are given. The expression for the cross section is useful in calculating the two-photon absorption in light and intermediate atoms.

Intermediate Volume on Computed Tomography Imaging Defines a Fibrotic Compartment that Predicts Glomerular Filtration Rate Decline in Autosomal Dominant Polycystic Kidney Disease Patients

PubMed Central

Caroli, Anna; Antiga, Luca; Conti, Sara; Sonzogni, Aurelio; Fasolini, Giorgio; Ondei, Patrizia; Perico, Norberto; Remuzzi, Giuseppe; Remuzzi, Andrea

2011-01-01

Total kidney and cyst volumes have been used to quantify disease progression in autosomal dominant polycystic kidney disease (ADPKD), but a causal relationship with progression to renal failure has not been demonstrated. Advanced image processing recently allowed to quantify extracystic tissue, and to identify an additional tissue component named “intermediate,” appearing hypoenhanced on contrast-enhanced computed tomography (CT). The aim of this study is to provide a histological characterization of intermediate volume, investigate its relation with renal function, and provide preliminary evidence of its role in long-term prediction of functional loss. Three ADPKD patients underwent contrast-enhanced CT scans before nephrectomy. Histological samples of intermediate volume were drawn from the excised kidneys, and stained with hematoxylin and eosin and with saturated picrosirius solution for histological analysis. Intermediate volume showed major structural changes, characterized by tubular dilation and atrophy, microcysts, inflammatory cell infiltrate, vascular sclerosis, and extended peritubular interstitial fibrosis. A significant correlation (r = −0.69, P < 0.001) between relative intermediate volume and baseline renal function was found in 21 ADPKD patients. Long-term prediction of renal functional loss was investigated in an independent cohort of 13 ADPKD patients, followed for 3 to 8 years. Intermediate volume, but not total kidney or cyst volume, significantly correlated with glomerular filtration rate decline (r = −0.79, P < 0.005). These findings suggest that intermediate volume may represent a suitable surrogate marker of ADPKD progression and a novel therapeutic target. PMID:21683674

QCD constituent counting rules for neutral vector mesons

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

Brodsky, Stanley J.; Lebed, Richard F.; Lyubovitskij, Valery E.

QCD constituent counting rules define the scaling behavior of exclusive hadronic scattering and electromagnetic scattering amplitudes at high momentum transfer in terms of the total number of fundamental constituents in the initial and final states participating in the hard subprocess. The scaling laws reflect the twist of the leading Fock state for each hadron and hence the leading operator that creates the composite state from the vacuum. Thus, the constituent counting scaling laws can be used to identify the twist of exotic hadronic candidates such as tetraquarks and pentaquarks. Effective field theories must consistently implement the scaling rules in ordermore » to be consistent with the fundamental theory. Here in this paper, we examine how one can apply constituent counting rules for the exclusive production of one or two neutral vector mesons V 0 in e + e - annihilation, processes in which the V 0 can couple via intermediate photons. In the case of a (narrow) real V 0, the photon virtuality is fixed to a precise value s 1 = m2V 0, thus treating the V 0 as a single fundamental particle. Each real V 0 thus contributes to the constituent counting rules with NV0 = 1 . In effect, the leading operator underlying the V 0 has twist 1. Thus, in the specific physical case of single or double on-shell V 0 production via intermediate photons, the predicted scaling from counting rules coincides with vector-meson dominance (VMD), an effective theory that treats V 0 as an elementary field. However, the VMD prediction fails in the general case where the V 0 is not coupled through an elementary photon field, and then the leading-twist interpolating operator has twist NV 0 = 2 . Analogous effects appear in pp scattering processes.« less

QCD constituent counting rules for neutral vector mesons

NASA Astrophysics Data System (ADS)

Brodsky, Stanley J.; Lebed, Richard F.; Lyubovitskij, Valery E.

2018-02-01

QCD constituent counting rules define the scaling behavior of exclusive hadronic scattering and electromagnetic scattering amplitudes at high momentum transfer in terms of the total number of fundamental constituents in the initial and final states participating in the hard subprocess. The scaling laws reflect the twist of the leading Fock state for each hadron and hence the leading operator that creates the composite state from the vacuum. Thus, the constituent counting scaling laws can be used to identify the twist of exotic hadronic candidates such as tetraquarks and pentaquarks. Effective field theories must consistently implement the scaling rules in order to be consistent with the fundamental theory. Here, we examine how one can apply constituent counting rules for the exclusive production of one or two neutral vector mesons V0 in e+e- annihilation, processes in which the V0 can couple via intermediate photons. In the case of a (narrow) real V0, the photon virtuality is fixed to a precise value s1=mV02, thus treating the V0 as a single fundamental particle. Each real V0 thus contributes to the constituent counting rules with NV0=1. In effect, the leading operator underlying the V0 has twist 1. Thus, in the specific physical case of single or double on-shell V0 production via intermediate photons, the predicted scaling from counting rules coincides with vector-meson dominance (VMD), an effective theory that treats V0 as an elementary field. However, the VMD prediction fails in the general case where the V0 is not coupled through an elementary photon field, and then the leading-twist interpolating operator has twist NV 0=2 . Analogous effects appear in p p scattering processes.

QCD constituent counting rules for neutral vector mesons

DOE PAGES

Brodsky, Stanley J.; Lebed, Richard F.; Lyubovitskij, Valery E.

2018-02-08

QCD constituent counting rules define the scaling behavior of exclusive hadronic scattering and electromagnetic scattering amplitudes at high momentum transfer in terms of the total number of fundamental constituents in the initial and final states participating in the hard subprocess. The scaling laws reflect the twist of the leading Fock state for each hadron and hence the leading operator that creates the composite state from the vacuum. Thus, the constituent counting scaling laws can be used to identify the twist of exotic hadronic candidates such as tetraquarks and pentaquarks. Effective field theories must consistently implement the scaling rules in ordermore » to be consistent with the fundamental theory. Here in this paper, we examine how one can apply constituent counting rules for the exclusive production of one or two neutral vector mesons V 0 in e + e - annihilation, processes in which the V 0 can couple via intermediate photons. In the case of a (narrow) real V 0, the photon virtuality is fixed to a precise value s 1 = m2V 0, thus treating the V 0 as a single fundamental particle. Each real V 0 thus contributes to the constituent counting rules with NV0 = 1 . In effect, the leading operator underlying the V 0 has twist 1. Thus, in the specific physical case of single or double on-shell V 0 production via intermediate photons, the predicted scaling from counting rules coincides with vector-meson dominance (VMD), an effective theory that treats V 0 as an elementary field. However, the VMD prediction fails in the general case where the V 0 is not coupled through an elementary photon field, and then the leading-twist interpolating operator has twist NV 0 = 2 . Analogous effects appear in pp scattering processes.« less

Vertical spatial coherence model for a transient signal forward-scattered from the sea surface

USGS Publications Warehouse

Yoerger, E.J.; McDaniel, S.T.

1996-01-01

The treatment of acoustic energy forward scattered from the sea surface, which is modeled as a random communications scatter channel, is the basis for developing an expression for the time-dependent coherence function across a vertical receiving array. The derivation of this model uses linear filter theory applied to the Fresnel-corrected Kirchhoff approximation in obtaining an equation for the covariance function for the forward-scattered problem. The resulting formulation is used to study the dependence of the covariance on experimental and environmental factors. The modeled coherence functions are then formed for various geometrical and environmental parameters and compared to experimental data.

Narrowly peaked forward light scattering on particulate media: II. Angular spreading of light scattered by polystyrene microspheres

NASA Astrophysics Data System (ADS)

Turcu, Ioan; Bratfalean, Radu; Neamtu, Silvia

2008-07-01

The adequacy of the effective phase function (EPF) used to describe the light scattered at small angles was tested on aqueous suspensions of polystyrene microspheres. Angular resolved light scattering measurements were performed on two types of latex suspension, which contained polystyrene spheres of 3 µm and 5 µm diameters, respectively. The experimental data were fitted with two EPF approximants. If the polystyrene spheres are at least 3 µm in diameter the quasi-ballistic light scattering process can be described relatively well by the EPF in a small angular range centered in the forward direction. The forward light scattering by macroscopic samples containing microspheres can be modeled relatively well if the true Mie single particle scattering phase function is replaced by a simpler Henyey-Greenstein dependence having the same width at half-height as the first scattering lobe.

Photometric studies of Saturn's ring and eclipses of the Galilean satellites

NASA Technical Reports Server (NTRS)

Brunk, W. E.

1972-01-01

Reliable data defining the photometric function of the Saturn ring system at visual wavelengths are interpreted in terms of a simple scattering model. To facilitate the analysis, new photographic photometry of the ring has been carried out and homogeneous measurements of the mean surface brightness are presented. The ring model adopted is a plane parallel slab of isotropically scattering particles; the single scattering albedo and the perpendicular optical thickness are both arbitrary. Results indicate that primary scattering is inadequate to describe the photometric properties of the ring: multiple scattering predominates for all angles of tilt with respect to the Sun and earth. In addition, the scattering phase function of the individual particles is significantly anisotropic: they scatter preferentially towards the sun. Photoelectric photometry of Ganymede during its eclipse by Jupiter indicate that neither a simple reflecting-layer model nor a semi-infinite homogeneous scattering model provides an adequate physical description of the Jupiter atmosphere.

Polarized optical scattering by inhomogeneities and surface roughness in an anisotropic thin film

DOE PAGES

Germer, Thomas A.; Sharma, Katelynn A.; Brown, Thomas G.; ...

2017-10-18

We extend the theory for scattering by oblique columnar structure thin films to include the induced form birefringence and the propagation of radiation in those films. We generalize the 4 × 4 matrix theory to include arbitrary sources in the layer, which are necessary to determine the Green function for the inhomogeneous wave equation. We further extend first-order vector perturbation theory for scattering by roughness in the smooth surface limit, when the layer is anisotropic. Scattering by an inhomogeneous medium is approximated by a distorted Born approximation, where effective medium theory is used to determine the effective properties of themore » medium and strong fluctuation theory is used to determine the inhomogeneous sources. In this manner, we develop a model for scattering by inhomogeneous films, with anisotropic correlation functions. Here, the results are compared to Mueller matrix bidirectional scattering distribution function measurements for a glancing-angle deposition (GLAD) film. While the results are applied to the GLAD film example, the development of the theory is general enough that it can guide simulations for scattering in other anisotropic thin films.« less

Depth resolved grazing incidence neutron scattering experiments from semi-infinite interfaces: a statistical analysis of the scattering contributions

NASA Astrophysics Data System (ADS)

Adlmann, Franz A.; Herbel, Jörg; Korolkovas, Airidas; Bliersbach, Andreas; Toperverg, Boris; Van Herck, Walter; Pálsson, Gunnar K.; Kitchen, Brian; Wolff, Max

2018-04-01

Grazing incidence neutron scattering experiments offer surface sensitivity by reflecting from an interface at momentum transfers close to total external reflection. Under these conditions the penetration depth is strongly non-linear and may change by many orders of magnitude. This fact imposes severe challenges for depth resolved experiments, since the brilliance of neutron beams is relatively low in comparison to e.g. synchrotron radiation. In this article we use probability density functions to calculate the contribution of scattering at different distances from an interface to the intensities registered on the detector. Our method has the particular advantage that the depth sensitivity is directly extracted from the scattering pattern itself. Hence for perfectly known samples exact resolution functions can be calculated and visa versa. We show that any tails in the resolution function, e.g. Gaussian shaped, hinders depth resolved experiments. More importantly we provide means for a descriptive statistical analysis of detector images with respect to the scattering contributions and show that even for perfect resolution near surface scattering is hardly accessible.

An analysis of scatter decomposition

NASA Technical Reports Server (NTRS)

Nicol, David M.; Saltz, Joel H.

1990-01-01

A formal analysis of a powerful mapping technique known as scatter decomposition is presented. Scatter decomposition divides an irregular computational domain into a large number of equal sized pieces, and distributes them modularly among processors. A probabilistic model of workload in one dimension is used to formally explain why, and when scatter decomposition works. The first result is that if correlation in workload is a convex function of distance, then scattering a more finely decomposed domain yields a lower average processor workload variance. The second result shows that if the workload process is stationary Gaussian and the correlation function decreases linearly in distance until becoming zero and then remains zero, scattering a more finely decomposed domain yields a lower expected maximum processor workload. Finally it is shown that if the correlation function decreases linearly across the entire domain, then among all mappings that assign an equal number of domain pieces to each processor, scatter decomposition minimizes the average processor workload variance. The dependence of these results on the assumption of decreasing correlation is illustrated with situations where a coarser granularity actually achieves better load balance.

Multichannel forward scattering meter for oceanography

NASA Technical Reports Server (NTRS)

Mccluney, W. R.

1974-01-01

An instrument was designed and built that measures the light scattered at several angles in the forward direction simultaneously. The instrument relies on an optical multiplexing technique for frequency encoding of the different channels suitable for detection by a single photodetector. A Mie theory computer program was used to calculate the theoretical volume scattering function for a suspension of polystyrene latex spheres. The agreement between the theoretical and experimental volume scattering functions is taken as a verification of the calibration technique used.

Synthesis of In2O3nanoparticles by thermal decomposition of a citrate gel precursor

NASA Astrophysics Data System (ADS)

Rey, J. F. Q.; Plivelic, T. S.; Rocha, R. A.; Tadokoro, S. K.; Torriani, I.; Muccillo, E. N. S.

2005-06-01

This paper describes the synthesis of indium oxide by a modified sol-gel method, and the study of thermal decomposition of the metal complex in air. The characterization of the intermediate as well as the final compounds was carried out by thermogravimetry, differential thermal analysis, Fourier transform infrared spectroscopy, X-ray diffraction, transmission electron microscopy, and small angle X-ray scattering. The results show that the indium complex decomposes to In2O3 with the formation of an intermediate compound. Nanoparticles of cubic In2O3 with crystallite sizes in the nanosize range were formed after calcination at temperatures up to 900°C. Calcined materials are characterized by a polydisperse distribution of spherical particles with sharp and smooth surfaces.

Which visual functions depend on intermediate visual regions? Insights from a case of developmental visual form agnosia.

PubMed

Gilaie-Dotan, Sharon

2016-03-01

A key question in visual neuroscience is the causal link between specific brain areas and perceptual functions; which regions are necessary for which visual functions? While the contribution of primary visual cortex and high-level visual regions to visual perception has been extensively investigated, the contribution of intermediate visual areas (e.g. V2/V3) to visual processes remains unclear. Here I review more than 20 visual functions (early, mid, and high-level) of LG, a developmental visual agnosic and prosopagnosic young adult, whose intermediate visual regions function in a significantly abnormal fashion as revealed through extensive fMRI and ERP investigations. While expectedly, some of LG's visual functions are significantly impaired, some of his visual functions are surprisingly normal (e.g. stereopsis, color, reading, biological motion). During the period of eight-year testing described here, LG trained on a perceptual learning paradigm that was successful in improving some but not all of his visual functions. Following LG's visual performance and taking into account additional findings in the field, I propose a framework for how different visual areas contribute to different visual functions, with an emphasis on intermediate visual regions. Thus, although rewiring and plasticity in the brain can occur during development to overcome and compensate for hindering developmental factors, LG's case seems to indicate that some visual functions are much less dependent on strict hierarchical flow than others, and can develop normally in spite of abnormal mid-level visual areas, thereby probably less dependent on intermediate visual regions. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quantitative photoplethysmography: Lambert-Beer law or inverse function incorporating light scatter.

PubMed

Cejnar, M; Kobler, H; Hunyor, S N

1993-03-01

Finger blood volume is commonly determined from measurement of infra-red (IR) light transmittance using the Lambert-Beer law of light absorption derived for use in non-scattering media, even when such transmission involves light scatter around the phalangeal bone. Simultaneous IR transmittance and finger volume were measured over the full dynamic range of vascular volumes in seven subjects and outcomes compared with data fitted according to the Lambert-Beer exponential function and an inverse function derived for light attenuation by scattering materials. Curves were fitted by the least-squares method and goodness of fit was compared using standard errors of estimate (SEE). The inverse function gave a better data fit in six of the subjects: mean SEE 1.9 (SD 0.7, range 0.7-2.8) and 4.6 (2.2, 2.0-8.0) respectively (p < 0.02, paired t-test). Thus, when relating IR transmittance to blood volume, as occurs in the finger during measurements of arterial compliance, an inverse function derived from a model of light attenuation by scattering media gives more accurate results than the traditional exponential fit.

Concentric layered Hermite scatterers

NASA Astrophysics Data System (ADS)

Astheimer, Jeffrey P.; Parker, Kevin J.

2018-05-01

The long wavelength limit of scattering from spheres has a rich history in optics, electromagnetics, and acoustics. Recently it was shown that a common integral kernel pertains to formulations of weak spherical scatterers in both acoustics and electromagnetic regimes. Furthermore, the relationship between backscattered amplitude and wavenumber k was shown to follow power laws higher than the Rayleigh scattering k2 power law, when the inhomogeneity had a material composition that conformed to a Gaussian weighted Hermite polynomial. Although this class of scatterers, called Hermite scatterers, are plausible, it may be simpler to manufacture scatterers with a core surrounded by one or more layers. In this case the inhomogeneous material property conforms to a piecewise continuous constant function. We demonstrate that the necessary and sufficient conditions for supra-Rayleigh scattering power laws in this case can be stated simply by considering moments of the inhomogeneous function and its spatial transform. This development opens an additional path for construction of, and use of scatterers with unique power law behavior.

SU-E-I-07: An Improved Technique for Scatter Correction in PET

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

Lin, S; Wang, Y; Lue, K

2014-06-01

Purpose: In positron emission tomography (PET), the single scatter simulation (SSS) algorithm is widely used for scatter estimation in clinical scans. However, bias usually occurs at the essential steps of scaling the computed SSS distribution to real scatter amounts by employing the scatter-only projection tail. The bias can be amplified when the scatter-only projection tail is too small, resulting in incorrect scatter correction. To this end, we propose a novel scatter calibration technique to accurately estimate the amount of scatter using pre-determined scatter fraction (SF) function instead of the employment of scatter-only tail information. Methods: As the SF depends onmore » the radioactivity distribution and the attenuating material of the patient, an accurate theoretical relation cannot be devised. Instead, we constructed an empirical transformation function between SFs and average attenuation coefficients based on a serious of phantom studies with different sizes and materials. From the average attenuation coefficient, the predicted SFs were calculated using empirical transformation function. Hence, real scatter amount can be obtained by scaling the SSS distribution with the predicted SFs. The simulation was conducted using the SimSET. The Siemens Biograph™ 6 PET scanner was modeled in this study. The Software for Tomographic Image Reconstruction (STIR) was employed to estimate the scatter and reconstruct images. The EEC phantom was adopted to evaluate the performance of our proposed technique. Results: The scatter-corrected image of our method demonstrated improved image contrast over that of SSS. For our technique and SSS of the reconstructed images, the normalized standard deviation were 0.053 and 0.182, respectively; the root mean squared errors were 11.852 and 13.767, respectively. Conclusion: We have proposed an alternative method to calibrate SSS (C-SSS) to the absolute scatter amounts using SF. This method can avoid the bias caused by the insufficient tail information and therefore improve the accuracy of scatter estimation.« less

Temporal evolution of the Green's function reconstruction in the seismic coda

NASA Astrophysics Data System (ADS)

Clerc, V.; Roux, P.; Campillo, M.

2013-12-01

In presence of multiple scattering, the wavefield evolves towards an equipartitioned state, equivalent to ambient noise. CAMPILLO and PAUL (2003) reconstructed the surface wave part of the Green's function between three pairs of stations in Mexico. The data indicate that the time asymmetry between causal and acausal part of the Green's function is less pronounced when the correlation is performed in the later windows of the coda. These results on the correlation of diffuse waves provide another perspective on the reconstruction of Green function which is independent of the source distribution and which suggests that if the time of observation is long enough, a single source could be sufficient. The paper by ROUX et al. (2005) provides a theoretical frame for the reconstruction of the Green's function in a homogeneous middle. In a multiple scattering medium with a single source, scatterers behave as secondary sources according to the Huygens principle. Coda waves are relevant to multiple scattering, a regime which can be approximated by diffusion for long lapse times. We express the temporal evolution of the correlation function between two receivers as a function of the secondary sources. We are able to predict the effect of the persistence of the net flux of energy observed by CAMPILLO and PAUL (2003) in numerical simulations. This method is also effective in order to retrieve the scattering mean free path. We perform a partial reconstruction of the Green's function in a strongly scattering medium in numerical simulations. The prediction of the flux asymmetry allows defining the parts of the coda providing the same information as ambient noise cross correlation.

Experimental Phase Functions of Millimeter-sized Cosmic Dust Grains

NASA Astrophysics Data System (ADS)

Muñoz, O.; Moreno, F.; Vargas-Martín, F.; Guirado, D.; Escobar-Cerezo, J.; Min, M.; Hovenier, J. W.

2017-09-01

We present the experimental phase functions of three types of millimeter-sized dust grains consisting of enstatite, quartz, and volcanic material from Mount Etna, respectively. The three grains present similar sizes but different absorbing properties. The measurements are performed at 527 nm covering the scattering angle range from 3° to 170°. The measured phase functions show two well-defined regions: (I) soft forward peaks and (II) a continuous increase with the scattering angle at side- and back-scattering regions. This behavior at side- and back-scattering regions is in agreement with the observed phase functions of the Fomalhaut and HR 4796A dust rings. Further computations and measurements (including polarization) for millimeter-sized grains are needed to draw some conclusions about the fluffy or compact structure of the dust grains.

Coherent light depolarization by multiple scattering media and tissues: some fundamentals and applications

NASA Astrophysics Data System (ADS)

Zimnyakov, Dmitry A.; Tuchin, Valery V.; Yodh, Arjun G.; Mishin, Alexey A.; Peretochkin, Igor S.

1998-04-01

Relationships between decorrelation and depolarization of coherent light scattered by disordered media are examined by using the conception of the photon paths distribution functions. Analysis of behavior of the autocorrelation functions of the scattered field fluctuations and their polarization properties allows us to introduce generalized parameter of scattering media such as specific correlation time. Determination of specific correlation time has been carried out for phantom scattering media (water suspensions of polystyrene spheres). Results of statistical, correlation and polarization analysis of static and dynamic speckle patterns carried out in the experiments with human sclera with artificially controlled optical transmittance are presented. Some possibilities of applications of such polarization- correlation technique for monitoring and visualization of non- single scattering tissue structures are discussed.

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition. 2; Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2004-01-01

The development of a practical method of accurately calculating the full scattering amplitude, without making a partial wave decomposition is continued. The method is developed in the context of electron-hydrogen scattering, and here exchange is dealt with by considering e-H scattering in the static exchange approximation. The Schroedinger equation in this approximation can be simplified to a set of coupled integro-differential equations. The equations are solved numerically for the full scattering wave function. The scattering amplitude can most accurately be calculated from an integral expression for the amplitude; that integral can be formally simplified, and then evaluated using the numerically determined wave function. The results are essentially identical to converged partial wave results.

Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections. Part 1; Electron-Hydrogen Elastic Scattering

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

2001-01-01

We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

Extended bidirectional reflectance distribution function for polarized light scattering from subsurface defects under a smooth surface.

PubMed

Shen, Jian; Deng, Degang; Kong, Weijin; Liu, Shijie; Shen, Zicai; Wei, Chaoyang; He, Hongbo; Shao, Jianda; Fan, Zhengxiu

2006-11-01

By introducing the scattering probability of a subsurface defect (SSD) and statistical distribution functions of SSD radius, refractive index, and position, we derive an extended bidirectional reflectance distribution function (BRDF) from the Jones scattering matrix. This function is applicable to the calculation for comparison with measurement of polarized light-scattering resulting from a SSD. A numerical calculation of the extended BRDF for the case of p-polarized incident light was performed by means of the Monte Carlo method. Our numerical results indicate that the extended BRDF strongly depends on the light incidence angle, the light scattering angle, and the out-of-plane azimuth angle. We observe a 180 degrees symmetry with respect to the azimuth angle. We further investigate the influence of the SSD density, the substrate refractive index, and the statistical distributions of the SSD radius and refractive index on the extended BRDF. For transparent substrates, we also find the dependence of the extended BRDF on the SSD positions.

Acoustic integrated extinction.

PubMed

Norris, Andrew N

2015-05-08

The integrated extinction (IE) is defined as the integral of the scattering cross section as a function of wavelength. Sohl et al. (2007 J. Acoust. Soc. Am. 122 , 3206-3210. (doi:10.1121/1.2801546)) derived an IE expression for acoustic scattering that is causal, i.e. the scattered wavefront in the forward direction arrives later than the incident plane wave in the background medium. The IE formula was based on electromagnetic results, for which scattering is causal by default. Here, we derive a formula for the acoustic IE that is valid for causal and non-causal scattering. The general result is expressed as an integral of the time-dependent forward scattering function. The IE reduces to a finite integral for scatterers with zero long-wavelength monopole and dipole amplitudes. Implications for acoustic cloaking are discussed and a new metric is proposed for broadband acoustic transparency.

Monte Carlo Perturbation Theory Estimates of Sensitivities to System Dimensions

DOE PAGES

Burke, Timothy P.; Kiedrowski, Brian C.

2017-12-11

Here, Monte Carlo methods are developed using adjoint-based perturbation theory and the differential operator method to compute the sensitivities of the k-eigenvalue, linear functions of the flux (reaction rates), and bilinear functions of the forward and adjoint flux (kinetics parameters) to system dimensions for uniform expansions or contractions. The calculation of sensitivities to system dimensions requires computing scattering and fission sources at material interfaces using collisions occurring at the interface—which is a set of events with infinitesimal probability. Kernel density estimators are used to estimate the source at interfaces using collisions occurring near the interface. The methods for computing sensitivitiesmore » of linear and bilinear ratios are derived using the differential operator method and adjoint-based perturbation theory and are shown to be equivalent to methods previously developed using a collision history–based approach. The methods for determining sensitivities to system dimensions are tested on a series of fast, intermediate, and thermal critical benchmarks as well as a pressurized water reactor benchmark problem with iterated fission probability used for adjoint-weighting. The estimators are shown to agree within 5% and 3σ of reference solutions obtained using direct perturbations with central differences for the majority of test problems.« less

Breaking of axial symmetry in excited heavy nuclei as identified in giant dipole resonance data

DOE PAGES

Grosse, E.; Junghans, A. R.; Massarczyk, R.

2017-11-28

Here, a recent theoretical prediction of a breaking of axial symmetry in quasi all heavy nuclei is confronted to a new critical analysis of photon strength functions of nuclei in the valley of stability. For the photon strength in the isovector giant dipole resonance (IVGDR) regime a parameterization of GDR shapes by the sum of three Lorentzians (TLO) is extrapolated to energies below and above the IVGDR. The impact of non-GDR modes adding to the low energy slope of photon strength is discussed including recent data on photon scattering and other radiative processes. These are shown to be concentrated inmore » energy regions where various model calculations predict intermediate collective strength; thus they are obviously separate from the IVGDR tail. The triple Lorentzian (TLO) ansatz for giant dipole resonances is normalized in accordance to the dipole sum rule. The nuclear droplet model with surface dissipation accounts well for positions and widths without local, nuclide specific, parameters. Very few and only global parameters are needed when a breaking of axial symmetry already in the valley of stability is admitted and hence a reliable prediction for electric dipole strength functions also outside of it is expected.« less

Breaking of axial symmetry in excited heavy nuclei as identified in giant dipole resonance data

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

Grosse, E.; Junghans, A. R.; Massarczyk, R.

Here, a recent theoretical prediction of a breaking of axial symmetry in quasi all heavy nuclei is confronted to a new critical analysis of photon strength functions of nuclei in the valley of stability. For the photon strength in the isovector giant dipole resonance (IVGDR) regime a parameterization of GDR shapes by the sum of three Lorentzians (TLO) is extrapolated to energies below and above the IVGDR. The impact of non-GDR modes adding to the low energy slope of photon strength is discussed including recent data on photon scattering and other radiative processes. These are shown to be concentrated inmore » energy regions where various model calculations predict intermediate collective strength; thus they are obviously separate from the IVGDR tail. The triple Lorentzian (TLO) ansatz for giant dipole resonances is normalized in accordance to the dipole sum rule. The nuclear droplet model with surface dissipation accounts well for positions and widths without local, nuclide specific, parameters. Very few and only global parameters are needed when a breaking of axial symmetry already in the valley of stability is admitted and hence a reliable prediction for electric dipole strength functions also outside of it is expected.« less

Low angle light scattering analysis: a novel quantitative method for functional characterization of human and murine platelet receptors.

PubMed

Mindukshev, Igor; Gambaryan, Stepan; Kehrer, Linda; Schuetz, Claudia; Kobsar, Anna; Rukoyatkina, Natalia; Nikolaev, Viacheslav O; Krivchenko, Alexander; Watson, Steve P; Walter, Ulrich; Geiger, Joerg

2012-07-01

Determinations of platelet receptor functions are indispensable diagnostic indicators of cardiovascular and hemostatic diseases including hereditary and acquired receptor defects and receptor responses to drugs. However, presently available techniques for assessing platelet function have some disadvantages, such as low sensitivity and the requirement of large sample sizes and unphysiologically high agonist concentrations. Our goal was to develop and initially characterize a new technique designed to quantitatively analyze platelet receptor activation and platelet function on the basis of measuring changes in low angle light scattering. We developed a novel technique based on low angle light scattering registering changes in light scattering at a range of different angles in platelet suspensions during activation. The method proved to be highly sensitive for simultaneous real time detection of changes in size and shape of platelets during activation. Unlike commonly-used methods, the light scattering method could detect platelet shape change and aggregation in response to nanomolar concentrations of extracellular nucleotides. Furthermore, our results demonstrate that the advantages of the light scattering method make it a choice method for platelet receptor monitoring and for investigation of both murine and human platelets in disease models. Our data demonstrate the suitability and superiority of this new low angle light scattering method for comprehensive analyses of platelet receptors and functions. This highly sensitive, quantitative, and online detection of essential physiological, pathophysiological and pharmacological-response properties of human and mouse platelets is a significant improvement over conventional techniques.

Surface and mass fractals in vapor-phase aggregates

NASA Astrophysics Data System (ADS)

Hurd, Alan J.; Schaefer, Dale W.; Martin, James E.

1987-03-01

Several types of fumed-silica aggregates with differing surface areas were studied over a wide range of spatial resolution by employing both light and neutron scattering. At intermediate length scales, between 100 and 1000 Å, the aggregates are mass fractals with Dm~=1.7-2.0, in basic agreement with simulations of aggregating clusters. At short length scales below 100 Å where the nature of the surfaces of the primary particles dominates the scattering, some of the samples appear to be fractally rough. In particular, a higher surface area seems to be correlated not with smaller primary particles in the aggregates, as previously assumed, but with fractally rough surfaces having Ds as high as 2.5. These may be the first materials discovered to have both mass and surface fractal structure.

Theoretical study of interactions of BSA protein in a NaCl aqueous solution

NASA Astrophysics Data System (ADS)

Pellicane, Giuseppe; Cavero, Miguel

2013-03-01

Bovine Serum Albumine (BSA) aqueous solutions in the presence of NaCl are investigated for different protein concentrations and low to intermediate ionic strengths. Protein interactions are modeled via a charge-screened colloidal model, in which the range of the potential is determined by the Debye-Hückel constant. We use Monte Carlo computer simulations to calculate the structure factor, and assume an oblate ellipsoidal form factor for BSA. The theoretical scattered intensities are found in good agreement with the experimental small angle X-ray scattering intensities available in the literature. The performance of well-known integral equation closures to the Ornstein-Zernike equation, namely the mean spherical approximation, the Percus-Yevick, and the hypernetted chain equations, is also assessed with respect to computer simulation.

Resonant recombination and autoionization in electron-ion collisions

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

Mueller, A.

1990-06-01

The occurence of resonances in elastic and inelastic electron-ion collisions is discussed. Resonant processes involve excitation of the ion with simultaneous capture of the initially free electron. The decay mechanism subsequent to the formation of the intermediate multiply excited state determines whether a resonance is found in recombination, excitation, elastic scattering, in single or even in multiple ionization. This review concentrates on resonances in the ionization channel. Correlated two-electron transitions are considered.

Direct Determinations of the πNN Coupling Constants

NASA Astrophysics Data System (ADS)

Ericson, T. E. O.; Loiseau, B.

1998-11-01

A novel extrapolation method has been used to deduce directly the charged πN N coupling constant from backward np differential scattering cross sections. The extracted value, g2c = 14.52(0.26) is higher than the indirectly deduced values obtained in nucleon-nucleon energy-dependent partial-wave analyses. Our preliminary direct value from a reanalysis of the GMO sum-rule points to an intermediate value of g2c about 13.97(30).

Geophysics and Tectonic Development of the Caroline Basin.

DTIC Science & Technology

1983-05-01

three diverse (shallow and intermediate depth ) epicenters scattered along the eastern margin of the Caroline Basin, one mech- anism determination has been...between the plates could conceivably change to a relative left-lateral motion of the Pacific Plate along a transform boundary. Again there is no...Sea Drilling Project, southwest Pacific structures : Geotimes, v. 18, P. 18-21. Scientific Staff, 1978, Leg 60 ends in Guam: Geotimes, v. 23, p. 19-23

Scattering from Colloid-Polymer Conjugates with Excluded Volume Effect

DOE PAGES

Li, Xin; Sanchez-Diaz, Luis E.; Smith, Gregory Scott; ...

2015-01-13

This work presents scattering functions of conjugates consisting of a colloid particle and a self-avoiding polymer chain as a model for protein-polymer conjugates and nanoparticle-polymer conjugates in solution. The model is directly derived from the two-point correlation function with the inclusion of excluded volume effects. The dependence of the calculated scattering function on the geometric shape of the colloid and polymer stiffness is investigated. The model is able to describe the experimental scattering signature of the solutions of suspending hard particle-polymer conjugates and provide additional conformational information. This model explicitly elucidates the link between the global conformation of a conjugatemore » and the microstructure of its constituent components.« less

String-like collective motion in the α- and β-relaxation of a coarse-grained polymer melt

NASA Astrophysics Data System (ADS)

Pazmiño Betancourt, Beatriz A.; Starr, Francis W.; Douglas, Jack F.

2018-03-01

Relaxation in glass-forming liquids occurs as a multi-stage hierarchical process involving cooperative molecular motion. First, there is a "fast" relaxation process dominated by the inertial motion of the molecules whose amplitude grows upon heating, followed by a longer time α-relaxation process involving both large-scale diffusive molecular motion and momentum diffusion. Our molecular dynamics simulations of a coarse-grained glass-forming polymer melt indicate that the fast, collective motion becomes progressively suppressed upon cooling, necessitating large-scale collective motion by molecular diffusion for the material to relax approaching the glass-transition. In each relaxation regime, the decay of the collective intermediate scattering function occurs through collective particle exchange motions having a similar geometrical form, and quantitative relationships are derived relating the fast "stringlet" collective motion to the larger scale string-like collective motion at longer times, which governs the temperature-dependent activation energies associated with both thermally activated molecular diffusion and momentum diffusion.

Neutron spin-echo studies on dynamic and static fluctuations in two types of poly(vinyl alcohol) gels

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

Kanaya, T.; Takahashi, N.; Nishida, K.

2005-01-01

We report neutron spin-echo measurements on two types of poly(vinyl alcohol) (PVA) gels. The first is PVA gel in a mixture of dimethyl sulfoxide (DMSO) and water with volume ratio 60/40, and the second is PVA gel in an aqueous borax solution. The observed normalized intermediate scattering functions I(Q,t)/I(Q,0) are very different between them. The former I(Q,t)/I(Q,0) shows a nondecaying component in addition to a fast decay, but the latter does not have the nondecaying one. This clearly indicates that the fluctuations in the former PVA gel consist of static and dynamic fluctuations whereas the latter PVA gel does includemore » only the dynamic fluctuations. The dynamic fluctuations of the former and latter gels have been analyzed in terms of a restricted motion in the network and Zimm motion, respectively, and the origins of these motions will be discussed.« less

Dynamic and static fluctuations in polymer gels studied by neutron spin-echo

NASA Astrophysics Data System (ADS)

Kanaya, T.; Takahashi, N.; Nishida, K.; Seto, H.; Nagao, M.; Takeba, Y.

2006-11-01

We report neutron spin-echo measurements on three types of poly(vinyl alcohol) (PVA) gels. The first is PVA gel in a mixture of dimethyl sulfoxide (DMSO) and water with volume ratio 60/40, the second is PVA gel in an aqueous borax solution and the third is chemically cross-linked PVA gel. The observed normalized intermediate scattering functions I( Q, t)/ I( Q,0) were very different among them. The I( Q, t)/ I( Q,0) of the first and third gels showed a non-decaying component in addition to a decaying component, but the second one did not have the non-decaying one. This clearly indicates that the fluctuations in the first and third PVA gels consist of static and dynamic fluctuations whereas the second PVA gel does include only the dynamic fluctuations. The dynamic and static fluctuations of the PVA gels were analyzed in terms of a restricted motion in the gel network and the Zimm motion, respectively.

Effective mie-scattering and CO2 absorption in the dust-laden Martian atmosphere and its impact on radiative-convective temperature changes in the lower scale heights

NASA Technical Reports Server (NTRS)

Pallmann, A. J.

1976-01-01

A time dependent computer model of radiative-convective-conductive heat transfer in the Martian ground-atmosphere system was refined by incorporating an intermediate line strength CO2 band absorption which together with the strong-and weak-line approximation closely simulated the radiative transmission through a vertically inhomogeneous stratification. About 33,000 CO2 lines were processed to cover the spectral range of solar and planetary radiation. Absorption by silicate dust particulates, was taken into consideration to study its impact on the ground-atmosphere temperature field as a function of time. This model was subsequently attuned to IRIS, IR-radiometric and S-band occultation data. Satisfactory simulations of the measured IRIS spectra were accomplished for the dust-free condition. In the case of variable dust loads, the simulations were sufficiently fair so that some inferences into the effect of dust on temperature were justified.

Elastic Moduli of Permanently Densified Silica Glasses

PubMed Central

Deschamps, T.; Margueritat, J.; Martinet, C.; Mermet, A.; Champagnon, B.

2014-01-01

Modelling the mechanical response of silica glass is still challenging, due to the lack of knowledge concerning the elastic properties of intermediate states of densification. An extensive Brillouin Light Scattering study on permanently densified silica glasses after cold compression in diamond anvil cell has been carried out, in order to deduce the elastic properties of such glasses and to provide new insights concerning the densification process. From sound velocity measurements, we derive phenomenological laws linking the elastic moduli of silica glass as a function of its densification ratio. The found elastic moduli are in excellent agreement with the sparse data extracted from literature, and we show that they do not depend on the thermodynamic path taken during densification (room temperature or heating). We also demonstrate that the longitudinal sound velocity exhibits an anomalous behavior, displaying a minimum for a densification ratio of 5%, and highlight the fact that this anomaly has to be distinguished from the compressibility anomaly of a-SiO2 in the elastic domain. PMID:25431218

A comprehensive model for x-ray projection imaging system efficiency and image quality characterization in the presence of scattered radiation

NASA Astrophysics Data System (ADS)

Monnin, P.; Verdun, F. R.; Bosmans, H.; Rodríguez Pérez, S.; Marshall, N. W.

2017-07-01

This work proposes a method for assessing the detective quantum efficiency (DQE) of radiographic imaging systems that include both the x-ray detector and the antiscatter device. Cascaded linear analysis of the antiscatter device efficiency (DQEASD) with the x-ray detector DQE is used to develop a metric of system efficiency (DQEsys); the new metric is then related to the existing system efficiency parameters of effective DQE (eDQE) and generalized DQE (gDQE). The effect of scatter on signal transfer was modelled through its point spread function (PSF), leading to an x-ray beam transfer function (BTF) that multiplies with the classical presampling modulation transfer function (MTF) to give the system MTF. Expressions are then derived for the influence of scattered radiation on signal-difference to noise ratio (SDNR) and contrast-detail (c-d) detectability. The DQEsys metric was tested using two digital mammography systems, for eight x-ray beams (four with and four without scatter), matched in terms of effective energy. The model was validated through measurements of contrast, SDNR and MTF for poly(methyl)methacrylate thicknesses covering the range of scatter fractions expected in mammography. The metric also successfully predicted changes in c-d detectability for different scatter conditions. Scatter fractions for the four beams with scatter were established with the beam stop method using an extrapolation function derived from the scatter PSF, and validated through Monte Carlo (MC) simulations. Low-frequency drop of the MTF from scatter was compared to both theory and MC calculations. DQEsys successfully quantified the influence of the grid on SDNR and accurately gave the break-even object thickness at which system efficiency was improved by the grid. The DQEsys metric is proposed as an extension of current detector characterization methods to include a performance evaluation in the presence of scattered radiation, with an antiscatter device in place.

Retrieval of the scattering and microphysical properties of aerosols from ground-based optical measurements including polarization. I. Method.

PubMed

Vermeulen, A; Devaux, C; Herman, M

2000-11-20

A method has been developed for retrieving the scattering and microphysical properties of atmospheric aerosol from measurements of solar transmission, aureole, and angular distribution of the scattered and polarized sky light in the solar principal plane. Numerical simulations of measurements have been used to investigate the feasibility of the method and to test the algorithm's performance. It is shown that the absorption and scattering properties of an aerosol, i.e., the single-scattering albedo, the phase function, and the polarization for single scattering of incident unpolarized light, can be obtained by use of radiative transfer calculations to correct the values of scattered radiance and polarized radiance for multiple scattering, Rayleigh scattering, and the influence of ground. The method requires only measurement of the aerosol's optical thickness and an estimate of the ground's reflectance and does not need any specific assumption about properties of the aerosol. The accuracy of the retrieved phase function and polarization of the aerosols is examined at near-infrared wavelengths (e.g., 0.870 mum). The aerosol's microphysical properties (size distribution and complex refractive index) are derived in a second step. The real part of the refractive index is a strong function of the polarization, whereas the imaginary part is strongly dependent on the sky's radiance and the retrieved single-scattering albedo. It is demonstrated that inclusion of polarization data yields the real part of the refractive index.

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

PubMed Central

Anfinrud, Philip

2010-01-01

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

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

PubMed

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

2010-04-20

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

Statistical-thermodynamic model for light scattering from eye lens protein mixtures

NASA Astrophysics Data System (ADS)

Bell, Michael M.; Ross, David S.; Bautista, Maurino P.; Shahmohamad, Hossein; Langner, Andreas; Hamilton, John F.; Lahnovych, Carrie N.; Thurston, George M.

2017-02-01

We model light-scattering cross sections of concentrated aqueous mixtures of the bovine eye lens proteins γB- and α-crystallin by adapting a statistical-thermodynamic model of mixtures of spheres with short-range attractions. The model reproduces measured static light scattering cross sections, or Rayleigh ratios, of γB-α mixtures from dilute concentrations where light scattering intensity depends on molecular weights and virial coefficients, to realistically high concentration protein mixtures like those of the lens. The model relates γB-γB and γB-α attraction strengths and the γB-α size ratio to the free energy curvatures that set light scattering efficiency in tandem with protein refractive index increments. The model includes (i) hard-sphere α-α interactions, which create short-range order and transparency at high protein concentrations, (ii) short-range attractive plus hard-core γ-γ interactions, which produce intense light scattering and liquid-liquid phase separation in aqueous γ-crystallin solutions, and (iii) short-range attractive plus hard-core γ-α interactions, which strongly influence highly non-additive light scattering and phase separation in concentrated γ-α mixtures. The model reveals a new lens transparency mechanism, that prominent equilibrium composition fluctuations can be perpendicular to the refractive index gradient. The model reproduces the concave-up dependence of the Rayleigh ratio on α/γ composition at high concentrations, its concave-down nature at intermediate concentrations, non-monotonic dependence of light scattering on γ-α attraction strength, and more intricate, temperature-dependent features. We analytically compute the mixed virial series for light scattering efficiency through third order for the sticky-sphere mixture, and find that the full model represents the available light scattering data at concentrations several times those where the second and third mixed virial contributions fail. The model indicates that increased γ-γ attraction can raise γ-α mixture light scattering far more than it does for solutions of γ-crystallin alone, and can produce marked turbidity tens of degrees celsius above liquid-liquid separation.

Importance of Cross-redistribution in Scattering Polarization of Spectral Lines: The Cases of {sup 3}P−{sup 3}S Triplets of Mg i and Ca i

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

Sampoorna, M.; Nagendra, K. N., E-mail: sampoorna@iiap.res.in, E-mail: knn@iiap.res.in

Scattering on a multi-level atomic system has dominant contributions from resonance and Raman scattering. While initial and final levels are the same for resonance scattering, they are different for Raman scattering. The frequency redistribution for resonance scattering is described by the usual partial frequency redistribution functions of Hummer, while that for Raman scattering is described by cross-redistribution (XRD) function. In the present paper, we investigate the importance of XRD on linear polarization profiles of {sup 3}P−{sup 3}S triplets of Mg i and Ca i formed in an isothermal one-dimensional atmosphere. We show that XRD produces significant effects on the linearmore » polarization profiles when the wavelength separations between the line components of the multiplet are small, like in the cases of Mg i b and Ca i triplets.« less

Dunkl operator, integrability, and pairwise scattering in rational Calogero model

NASA Astrophysics Data System (ADS)

Karakhanyan, David

2017-05-01

The integrability of the Calogero model can be expressed as zero curvature condition using Dunkl operators. The corresponding flat connections are non-local gauge transformations, which map the Calogero wave functions to symmetrized wave functions of the set of N free particles, i.e. it relates the corresponding scattering matrices to each other. The integrability of the Calogero model implies that any k-particle scattering is reduced to successive pairwise scatterings. The consistency condition of this requirement is expressed by the analog of the Yang-Baxter relation.

Monte Carlo study of the effective Sherman function for electron polarimetry

NASA Astrophysics Data System (ADS)

Drągowski, M.; Włodarczyk, M.; Weber, G.; Ciborowski, J.; Enders, J.; Fritzsche, Y.; Poliszczuk, A.

2016-12-01

The PEBSI Monte Carlo simulation was upgraded towards usefulness for electron Mott polarimetry. The description of Mott scattering was improved and polarisation transfer in Møller scattering was included in the code. An improved agreement was achieved between the simulation and available experimental data for a 100 keV polarised electron beam scattering off gold foils of various thicknesses. The dependence of the effective Sherman function on scattering angle and target thickness, as well as the method of finding optimal conditions for Mott polarimetry measurements were analysed.

QCD Precision Measurements and Structure Function Extraction at a High Statistics, High Energy Neutrino Scattering Experiment:. NuSOnG

NASA Astrophysics Data System (ADS)

Adams, T.; Batra, P.; Bugel, L.; Camilleri, L.; Conrad, J. M.; de Gouvêa, A.; Fisher, P. H.; Formaggio, J. A.; Jenkins, J.; Karagiorgi, G.; Kobilarcik, T. R.; Kopp, S.; Kyle, G.; Loinaz, W. A.; Mason, D. A.; Milner, R.; Moore, R.; Morfín, J. G.; Nakamura, M.; Naples, D.; Nienaber, P.; Olness, F. I.; Owens, J. F.; Pate, S. F.; Pronin, A.; Seligman, W. G.; Shaevitz, M. H.; Schellman, H.; Schienbein, I.; Syphers, M. J.; Tait, T. M. P.; Takeuchi, T.; Tan, C. Y.; van de Water, R. G.; Yamamoto, R. K.; Yu, J. Y.

We extend the physics case for a new high-energy, ultra-high statistics neutrino scattering experiment, NuSOnG (Neutrino Scattering On Glass) to address a variety of issues including precision QCD measurements, extraction of structure functions, and the derived Parton Distribution Functions (PDF's). This experiment uses a Tevatron-based neutrino beam to obtain a sample of Deep Inelastic Scattering (DIS) events which is over two orders of magnitude larger than past samples. We outline an innovative method for fitting the structure functions using a parametrized energy shift which yields reduced systematic uncertainties. High statistics measurements, in combination with improved systematics, will enable NuSOnG to perform discerning tests of fundamental Standard Model parameters as we search for deviations which may hint of "Beyond the Standard Model" physics.

Experimental Phase Functions of Millimeter-sized Cosmic Dust Grains

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

Muñoz, O.; Moreno, F.; Guirado, D.

We present the experimental phase functions of three types of millimeter-sized dust grains consisting of enstatite, quartz, and volcanic material from Mount Etna, respectively. The three grains present similar sizes but different absorbing properties. The measurements are performed at 527 nm covering the scattering angle range from 3° to 170°. The measured phase functions show two well-defined regions: (i) soft forward peaks and (ii) a continuous increase with the scattering angle at side- and back-scattering regions. This behavior at side- and back-scattering regions is in agreement with the observed phase functions of the Fomalhaut and HR 4796A dust rings. Furthermore » computations and measurements (including polarization) for millimeter-sized grains are needed to draw some conclusions about the fluffy or compact structure of the dust grains.« less

Impurity effects on electrical conductivity of doped bilayer graphene in the presence of a bias voltage

NASA Astrophysics Data System (ADS)

E, Lotfi; H, Rezania; B, Arghavaninia; M, Yarmohammadi

2016-07-01

We address the electrical conductivity of bilayer graphene as a function of temperature, impurity concentration, and scattering strength in the presence of a finite bias voltage at finite doping, beginning with a description of the tight-binding model using the linear response theory and Green’s function approach. Our results show a linear behavior at high doping for the case of high bias voltage. The effects of electron doping on the electrical conductivity have been studied via changing the electronic chemical potential. We also discuss and analyze how the bias voltage affects the temperature behavior of the electrical conductivity. Finally, we study the behavior of the electrical conductivity as a function of the impurity concentration and scattering strength for different bias voltages and chemical potentials respectively. The electrical conductivity is found to be monotonically decreasing with impurity scattering strength due to the increased scattering among electrons at higher impurity scattering strength.

Mechanism of thermal decomposition of K2FeO4 and BaFeO4: A review

NASA Astrophysics Data System (ADS)

Sharma, Virender K.; Machala, Libor

2016-12-01

This paper presents thermal decomposition of potassium ferrate(VI) (K2FeO4) and barium ferrate(VI) (BaFeO4) in air and nitrogen atmosphere. Mössbauer spectroscopy and nuclear forward scattering (NFS) synchrotron radiation approaches are reviewed to advance understanding of electron-transfer processes involved in reduction of ferrate(VI) to Fe(III) phases. Direct evidences of Fe V and Fe IV as intermediate iron species using the applied techniques are given. Thermal decomposition of K2FeO4 involved Fe V, Fe IV, and K3FeO3 as intermediate species while BaFeO3 (i.e. Fe IV) was the only intermediate species during the decomposition of BaFeO4. Nature of ferrite species, formed as final Fe(III) species, of thermal decomposition of K2FeO4 and BaFeO4 under different conditions are evaluated. Steps of the mechanisms of thermal decomposition of ferrate(VI), which reasonably explained experimental observations of applied approaches in conjunction with thermal and surface techniques, are summarized.

Lidar inelastic multiple-scattering parameters of cirrus particle ensembles determined with geometrical-optics crystal phase functions.

PubMed

Reichardt, J; Hess, M; Macke, A

2000-04-20

Multiple-scattering correction factors for cirrus particle extinction coefficients measured with Raman and high spectral resolution lidars are calculated with a radiative-transfer model. Cirrus particle-ensemble phase functions are computed from single-crystal phase functions derived in a geometrical-optics approximation. Seven crystal types are considered. In cirrus clouds with height-independent particle extinction coefficients the general pattern of the multiple-scattering parameters has a steep onset at cloud base with values of 0.5-0.7 followed by a gradual and monotonic decrease to 0.1-0.2 at cloud top. The larger the scattering particles are, the more gradual is the rate of decrease. Multiple-scattering parameters of complex crystals and of imperfect hexagonal columns and plates can be well approximated by those of projected-area equivalent ice spheres, whereas perfect hexagonal crystals show values as much as 70% higher than those of spheres. The dependencies of the multiple-scattering parameters on cirrus particle spectrum, base height, and geometric depth and on the lidar parameters laser wavelength and receiver field of view, are discussed, and a set of multiple-scattering parameter profiles for the correction of extinction measurements in homogeneous cirrus is provided.

A new look at photometry of the Moon

USGS Publications Warehouse

Goguen, J.D.; Stone, T.C.; Kieffer, H.H.; Buratti, B.J.

2010-01-01

We use ROLO photometry (Kieffer, H.H., Stone, T.C. [2005]. Astron. J. 129, 2887-2901) to characterize the before and after full Moon radiance variation for a typical highlands site and a typical mare site. Focusing on the phase angle range 45??. ) to calculate the scattering matrix and solve the radiative transfer equation for I/. F. The mean single scattering albedo is ??=0.808, the asymmetry parameter is ???cos. ?????=0.77 and the phase function is very strongly peaked in both the forward and backward scattering directions. The fit to the observations for the highland site is excellent and multiply scattered photons contribute 80% of I/. F. We conclude that either model, roughness or multiple scattering, can match the observations, but that the strongly anisotropic phase functions of realistic particles require rigorous calculation of many orders of scattering or spurious photometric roughness estimates are guaranteed. Our multiple scattering calculation is the first to combine: (1) a regolith model matched to the measured particle size distribution and index of refraction of the lunar soil, (2) a rigorous calculation of the particle phase function and solution of the radiative transfer equation, and (3) application to lunar photometry with absolute radiance calibration. ?? 2010 Elsevier Inc.

Measuring the reduced scattering coefficient and γ with SFR spectroscopy: studying the phase function dependence (Conference Presentation)

NASA Astrophysics Data System (ADS)

Post, Anouk L.; Zhang, Xu; Bosschaart, Nienke; Van Leeuwen, Ton G.; Sterenborg, Henricus J. C. M.; Faber, Dirk J.

2016-03-01

Both Optical Coherence Tomography (OCT) and Single Fiber Reflectance Spectroscopy (SFR) are used to determine various optical properties of tissue. We developed a method combining these two techniques to measure the scattering anisotropy (g1) and γ (=1-g2/1-g1), related to the 1st and 2nd order moments of the phase function. The phase function is intimately associated with the cellular organization and ultrastructure of tissue, physical parameters that may change during disease onset and progression. Quantification of these parameters may therefore allow for improved non-invasive, in vivo discrimination between healthy and diseased tissue. With SFR the reduced scattering coefficient and γ can be extracted from the reflectance spectrum (Kanick et al., Biomedical Optics Express 2(6), 2011). With OCT the scattering coefficient can be extracted from the signal as a function of depth (Faber et al., Optics Express 12(19), 2004). Consequently, by combining SFR and OCT measurements at the same wavelengths, the scattering anisotropy (g) can be resolved using µs'= µs*(1-g). We performed measurements on a suspension of silica spheres as a proof of principle. The SFR model for the reflectance as a function of the reduced scattering coefficient and γ is based on semi-empirical modelling. These models feature Monte-Carlo (MC) based model constants. The validity of these constants - and thus the accuracy of the estimated parameters - depends on the phase function employed in the MC simulations. Since the phase function is not known when measuring in tissue, we will investigate the influence of assuming an incorrect phase function on the accuracy of the derived parameters.

Magneto thermal conductivity of superconducting Nb with intermediate level of impurity

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

L.S. Sharath Chandra, M.K. Chattopadhyay, S.B. Roy, V.C. Sahni, G.R. Myneni

2012-03-01

Niobium materials with intermediate purity level are used for fabrication of superconducting radio frequency cavities (SCRF), and thermal conductivity is an important parameter influencing the performance of such SCRF cavities. We report here the temperature and magnetic field dependence of thermal conductivity {kappa} for superconducting niobium (Nb) samples, for which the electron mean free path I{sub e}, the phonon mean free path I{sub g}, and the vortex core diameter 2r{sub C} are of the same order of magnitude. The measured thermal conductivity is analyzed using the effective gap model (developed for I{sub e} >> 2r{sub C} (Dubeck et al 1963more » Phys. Rev. Lett. 10 98)) and the normal core model (developed for I{sub e} << 2r{sub C} (Ward and Dew-Hughes 1970 J. Phys. C: Solid St. Phys. 3 2245)). However, it is found that the effective gap model is not suitable for low temperatures when I{sub e} {approx} 2r{sub C}. The normal core model, on the other hand, is able to describe {kappa}(T,H) over the entire temperature range except in the field regime between H{sub C1} and H{sub C2} i.e. in the mixed state. It is shown that to understand the complete behavior of {kappa} in the mixed state, the scattering of quasi-particles from the vortex cores and the intervortex quasi-particle tunneling are to be invoked. The quasi-particle scattering from vortices for the present system is understood in terms of the framework of Sergeenkov and Ausloos (1995 Phys. Rev. B 52 3614) extending their approach to the case of Nb. The intervortex tunneling is understood within the framework of Schmidbauer et al (1970 Z. Phys. 240 30). Analysis of the field dependence of thermal conductivity shows that while the quasi-particle scattering from vortices dominates in the low fields, the intervortex quasi-particle tunneling dominates in high fields. Analysis of the temperature dependence of thermal conductivity shows that while the quasi-particle scattering is dominant at low temperatures, the intervortex quasi-particle tunneling is dominant at high temperatures.« less

Accuracy of Hartree-Fock wave functions for electron-H/sub 2/ scattering calculations

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

Feldt, A.N.

1988-05-01

Recent papers on electron-N/sub 2/ scattering by Rumble, Stevens, and Truhlar (J. Phys. B 17, 3151 (1984)) and Weatherford, Brown, and Temkin (Phys. Rev. A 35, 4561 (1987)) have suggested that Hartree-Fock (HF) wave functions may not be accurate for calculating potentials for use in studying electron-molecule collisions. A comparison of results for electron-H/sub 2/ scattering using both correlated and HF wave functions is presented. It is found that for both elastic and inelastic collisions and for all energies considered (up to 10 eV) the HF wave functions yield results in excellent agreement with those obtained from the more accuratemore » wave functions.« less

Detailed validation of the bidirectional effect in various Case I and Case II waters.

PubMed

Gleason, Arthur C R; Voss, Kenneth J; Gordon, Howard R; Twardowski, Michael; Sullivan, James; Trees, Charles; Weidemann, Alan; Berthon, Jean-François; Clark, Dennis; Lee, Zhong-Ping

2012-03-26

Simulated bidirectional reflectance distribution functions (BRDF) were compared with measurements made just beneath the water's surface. In Case I water, the set of simulations that varied the particle scattering phase function depending on chlorophyll concentration agreed more closely with the data than other models. In Case II water, however, the simulations using fixed phase functions agreed well with the data and were nearly indistinguishable from each other, on average. The results suggest that BRDF corrections in Case II water are feasible using single, average, particle scattering phase functions, but that the existing approach using variable particle scattering phase functions is still warranted in Case I water.

LASER BIOLOGY AND MEDICINE: Light scattering study of rheumatoid arthritis

NASA Astrophysics Data System (ADS)

Beuthan, J.; Netz, U.; Minet, O.; Klose, Annerose D.; Hielscher, A. H.; Scheel, A.; Henniger, J.; Müller, G.

2002-11-01

The distribution of light scattered by finger joints is studied in the near-IR region. It is shown that variations in the optical parameters of the tissue (scattering coefficient μs, absorption coefficient μa, and anisotropy factor g) depend on the presence of the rheumatoid arthritis (RA). At the first stage, the distribution of scattered light was measured in diaphanoscopic experiments. The convolution of a Gaussian error function with the scattering phase function proved to be a good approximation of the data obtained. Then, a new method was developed for the reconstruction of distribution of optical parameters in the finger cross section. Model tests of the quality of this reconstruction method show good results.

Electron scattering intensities and Patterson functions of Skyrmions

NASA Astrophysics Data System (ADS)

Karliner, M.; King, C.; Manton, N. S.

2016-06-01

The scattering of electrons off nuclei is one of the best methods of probing nuclear structure. In this paper we focus on electron scattering off nuclei with spin and isospin zero within the Skyrme model. We consider two distinct methods and simplify our calculations by use of the Born approximation. The first method is to calculate the form factor of the spherically averaged Skyrmion charge density; the second uses the Patterson function to calculate the scattering intensity off randomly oriented Skyrmions, and spherically averages at the end. We compare our findings with experimental scattering data. We also find approximate analytical formulae for the first zero and first stationary point of a form factor.

Multiple scattered radiation emerging from Rayleigh and continental haze layers. I - Radiance, polarization, and neutral points

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.; Hitzfelder, S. J.

1976-01-01

The matrix operator method was used to calculate the polarization of radiation scattered on layers of various optical thicknesses, with results compared for Rayleigh scattering and for scattering from a continental haze. In both cases, there are neutral points arising from the zeros of the polarization of single scattered photons at scattering angles of zero and 180 degrees. The angular position of these Rayleigh-like neutral points (RNP) in the sky shows appreciable variation with the optical thickness of the scattering layer for a Rayleigh phase matrix, but only a small variation for haze L phase matrix. Another type of neutral point exists for non-Rayleigh phase functions that is associated with the zeros of the polarization for single scattering which occurs between the end points of the curve. A comparison of radiances calculated from the complete theory of radiative transfer using Stokes vectors with those obtained from the scalar theory shows that differences of the order of 23% may be obtained for Rayleigh scattering, while the largest difference found for a haze L phase function was of the order of 0.1%.

Ground based planetary research

NASA Technical Reports Server (NTRS)

1973-01-01

High spatial resolution spectrophotometric observations made in the wavelength region lambda lambda 0.6 - 2.0 micrometers are used to study the Jovian and Saturnian limb darkening. Limb darkening coefficients (k) of the Minnaert function are derived for the cloud layers of both planets. A value of k = 1.0 is found for Jupiter over the entire disk while values of between 0.75 and 0.90 are found for different latitudes for Saturn. These data are used to derive geometric albedoes (G) for the various belts, zones, spots and regions observed on Jupiter and Saturn. These values of G and k are in turn used to show that an isotropic scattering model is invalid for Jupiter and that at least an asymmetric scattering function, such as the Euler function, is needed to fit the Jovian data. The Jovian scattering function is found to generally vary between 0.960 and 0.994 as a function of wavelength and the feature observed. The Saturn geometric albedoes and values of k indicate that Euler's function fails to adequately model the scattering properties of the Saturnian clouds. As a result it is suggested that simple scattering theory may not apply to the Saturn clouds or that they are better represented by a cumulus cloud model.

Photometric Properties of Soils at the Mars Phoenix Landing Site: Preliminary Analysis from CRISM EPF Data

NASA Astrophysics Data System (ADS)

Cull, S. C.; Arvidson, R. E.; Seelos, F.; Wolff, M. J.

2010-03-01

Using data from CRISM's Emission Phase Function observations, we attempt to constrain Phoenix soil scattering properties, including soil grain size, single-scattering albedo, and surface phase function.

Separation of variables solution for non-linear radiative cooling

NASA Technical Reports Server (NTRS)

Siegel, Robert

1987-01-01

A separation of variables solution has been obtained for transient radiative cooling of an absorbing-scattering plane layer. The solution applies after an initial transient period required for adjustment of the temperature and scattering source function distributions. The layer emittance, equal to the instantaneous heat loss divided by the fourth power of the instantaneous mean temperature, becomes constant. This emittance is a function of only the optical thickness of the layer and the scattering albedo; its behavior as a function of these quantities is considerably different than for a layer at constant temperature.

Properties of dust and clouds in the Mars atmosphere: Analysis of Viking IRTM emission phase function sequences

NASA Technical Reports Server (NTRS)

Clancy, R. T.; Lee, S. W.

1991-01-01

An analysis of emission-phase-function (EPF) observations from the Viking Orbiter Infrared Thermal Mapper (IRTM) yields a wide variety of results regarding dust and cloud scattering in the Mars atmosphere and atmospheric-corrected albedos for the surface of Mars. A multiple scattering radiative transfer model incorporating a bidirectional phase function for the surface and atmospheric scattering by dust and clouds is used to derive surface albedos and dust and ice optical properties and optical depths for these various conditions on Mars.

SCATTERING OF SLOW NEUTRONS FROM PROPANE GAS

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

Strong, K.A.; Marshall, G.D.; Brugger, R.M.

1962-02-01

Measurements of the partial differential neutron scattering cross sections for room-temperature propane gas are reported. These measurements were made at incident energies of 0.0l01, 0.0254, 0.0736, and 0.102 ev at seven scattering angles between 16.3 and 84.7 deg using the Materials Testing Reactor phased chopper velocity selector. The data are convented to the scattering-law presentation and compared with three theoretical calculations: The ideal gas, using an effective mass obtained from an average of the mass tensors for the three types of H atoms in propane, gives poor agreement. The Krieger-Nelkin approximation, which includes the effect of zero-point vibrations, gives limitedmore » agreement for energy transfer less than 0.5 k/sub b/T at intermediate momentum transfers. At large momentum transfers where vibrational effects become important it underestimates the cross section. A modification of the Krieger- Nelkin theory that includes the effects of single-quantum transitions from the three lowest vibratlonal states gives better agreement. The discrepancies still present at large momentum and energy transfers are attributed to an uncertainty in the methylgroup barrier height for the three lowest energy modes, to the harmonlc oscillator approximation for these modes, and to the approximate molecular orientation averaging used in the calculation. (auth)« less

Microwave model prediction and verifications for vegetated terrain

NASA Technical Reports Server (NTRS)

Fung, A. K.

1985-01-01

To understand the scattering properties of a deciduous and a coniferous type vegetation scattering models were developed assuming either a disc type leaf or a needle type leaf. The major effort is to calculate the corresponding scattering phase functions and then each of the functions is used in a radiative transfer formulation to compute the scattering intensity and consequently the scattering coefficient. The radiative transfer formulation takes into account the irregular ground surface by including the rough soil surface in the boundary condition. Thus, the scattering model accounts for volume scattering inside the vegetation layer, the surface scattering from the ground and the interaction between scattering from the soil surface and the vegetation volume. The contribution to backscattering by each of the three scattering mechanisms is illustrated along with the effects of each layer or surface parameter. The major difference between the two types of vegetation is that when the incident wavelength is comparable to the size of the leaf there is a peak appearing in the mid angular region of the backscattering curve for the disc type leaf whereas it is a dip in the same region for a needle type leaf.

Electron Collisions in our Atmosphere — How the Microscopic Drives the Macroscopic

NASA Astrophysics Data System (ADS)

Buckman, S. J.; Brunger, M. J.; Campbell, L.; Jelisavcic, M.; Petrovic, Z. Lj.

2005-05-01

Recent measurements of low energy, absolute electron scattering cross sections for vibrational excitation of NO have been used to update the cross set used for modeling atmospheric auroral processes. These new cross sections, which highlight the role that intermediate negative ions (resonances) play at energies below 5 eV in mediating vibrational excitation, also indicate that electron-driven processes play an important role in the infrared (˜5 um) auroral emissions from the NO molecule.

Spin response of magnetic dipole transitions in 156Gd and 164Dy

NASA Astrophysics Data System (ADS)

Frekers, D.; Bohle, D.; Richter, A.; Abegg, R.; Azuma, R. E.; Celler, A.; Chan, C.; Drake, T. E.; Jackson, K. P.; King, J. D.; Miller, C. A.; Schubank, R.; Watson, J.; Yen, S.

1989-03-01

Intermediate energy proton scattering has been used to probe the spin part of the recently discovered low-lying isovector magnetic dipole transitions in the rotational rare earth nuclei 156Gd and 164Dy. A large spin response is found in 164Dy, whereas in 156Gd the results are consistent with the picture of a predominantly convective excitation. The results are discussed in the context of the IBA-2 model and recent RPA calculations.

Precision Measurements of the B(E1) Strengths in 11Be

NASA Astrophysics Data System (ADS)

Kwan, E.; Wu, C. Y.; Summers, N. C.; Hackman, G.; Drake, T. E.; Andreoiu, C.; Ashley, R.; Ball, G. C.; Bender, P. C.; Boston, A. J.; Boston, H. C.; Chester, A.; Close, A.; Cline, D.; Cross, D. S.; Dunlop, R.; Finley, A.; Garnsworthy, A.; Hayes, A. B.; Laffoley, A. T.; Nano, T.; Navrátil, P.; Pearson, C. J.; Pore, J.; Starosta, K.; Thompson, I. J.; Voss, P.; Williams, S. J.; Wang, Z. M.

2014-09-01

The electromagnetic transition strength between the two bound states were measured in the one-neutron halo nucleus 11Be from Coulomb excitation on 196Pt at projectile energies of 1.727 and 2.086 MeV/nucleon at TRIUMF. A B(E1) strength of 0.102(2) e2fm2, deduced from the forward-scattering data, is consistent with previous Coulomb excitation measurements at intermediate projectile energies with a model-dependent analysis.

State interference in resonance Auger and x-ray emission

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

Cesar, A.; Agren, H.

1992-03-01

Starting from a scattering-theory formulation, cross sections for Auger and x-ray decay from energetically shifted inner-shell states are derived. Two situations are studied: (i) when there are several close-lying intermediate core-hole states with no vibrational excitations, in which case a {ital state} {ital interference} effect is identified; and (ii) when there are several close-lying intermediate states with vibrational excitations, in which case a {ital vibronic} {ital interference} effect is identified. In the latter case, the present formalism is a many-state generalization of the {ital vibrational} {ital interference} {ital effects} derived from the same type of scattering formalism in our previousmore » paper (A. Cesar, H. Agren, and V. Carravetta, Phys. Rev. A 40, 187 (1989)). Applications are carried out for spectra of some few-state model systems. It is found that a conventional analysis in terms of discrete noninteracting (noninterfering) states, such as the one-center decomposition model, is only valid when the ratio ({ital R}) between energy shift and lifetime is sufficiently large. For states with small {ital R}, a more complete theoretical account must be undertaken, including, e.g., the calculation of phases of the respective transition moments. The presented formalism applies to resonance Auger or x-ray emission spectra, to Auger and x-ray emission from core-electron shake-up states, and also, under certain circumstances, to emission from chemically shifted core-hole states.« less

Substrate-Induced Allosteric Change in the Quaternary Structure of the Spermidine N-Acetyltransferase SpeG.

PubMed

Filippova, Ekaterina V; Weigand, Steven; Osipiuk, Jerzy; Kiryukhina, Olga; Joachimiak, Andrzej; Anderson, Wayne F

2015-11-06

The spermidine N-acetyltransferase SpeG is a dodecameric enzyme that catalyzes the transfer of an acetyl group from acetyl coenzyme A to polyamines such as spermidine and spermine. SpeG has an allosteric polyamine-binding site and acetylating polyamines regulate their intracellular concentrations. The structures of SpeG from Vibrio cholerae in complexes with polyamines and cofactor have been characterized earlier. Here, we present the dodecameric structure of SpeG from V. cholerae in a ligand-free form in three different conformational states: open, intermediate and closed. All structures were crystallized in C2 space group symmetry and contain six monomers in the asymmetric unit cell. Two hexamers related by crystallographic 2-fold symmetry form the SpeG dodecamer. The open and intermediate states have a unique open dodecameric ring. This SpeG dodecamer is asymmetric except for the one 2-fold axis and is unlike any known dodecameric structure. Using a fluorescence thermal shift assay, size-exclusion chromatography with multi-angle light scattering, small-angle X-ray scattering analysis, negative-stain electron microscopy and structural analysis, we demonstrate that this unique open dodecameric state exists in solution. Our combined results indicate that polyamines trigger conformational changes and induce the symmetric closed dodecameric state of the protein when they bind to their allosteric sites. Copyright © 2015. Published by Elsevier Ltd.

Substrate-induced allosteric change in the quaternary structure of the spermidine N-acetyltransferase SpeG

DOE PAGES

Filippova, Ekaterina V.; Weigand, Steven J.; Osipiuk, Jerzy; ...

2015-09-26

The spermidine N-acetyltransferase SpeG is a dodecameric enzyme that catalyzes the transfer of an acetyl group from acetyl coenzyme A to polyamines such as spermidine and spermine. SpeG has an allosteric polyamine-binding site and acetylating polyamines regulate their intracellular concentrations. The structures of SpeG from Vibrio cholerae in complexes with polyamines and cofactor have been characterized earlier. Here, we present the dodecameric structure of SpeG from V. cholerae in a ligand-free form in three different conformational states: open, intermediate and closed. All structures were crystallized in C2 space group symmetry and contain six monomers in the asymmetric unit cell. Twomore » hexamers related by crystallographic 2-fold symmetry form the SpeG dodecamer. The open and intermediate states have a unique open dodecameric ring. This SpeG dodecamer is asymmetric except for the one 2-fold axis and is unlike any known dodecameric structure. Using a fluorescence thermal shift assay, size-exclusion chromatography with multi-angle light scattering, small-angle X-ray scattering analysis, negative-stain electron microscopy and structural analysis, we demonstrate that this unique open dodecameric state exists in solution. As a result, our combined results indicate that polyamines trigger conformational changes and induce the symmetric closed dodecameric state of the protein when they bind to their allosteric sites.« less

Flavin-N5 Covalent Intermediate in a Nonredox Dehalogenation Reaction Catalyzed by an Atypical Flavoenzyme.

PubMed

Dai, Yumin; Kizjakina, Karina; Campbell, Ashley C; Korasick, David A; Tanner, John J; Sobrado, Pablo

2018-01-04

The flavin-dependent enzyme 2-haloacrylate hydratase (2-HAH) catalyzes the conversion of 2-chloroacrylate, a major component in the manufacture of acrylic polymers, to pyruvate. The enzyme was expressed in Escherichia coli, purified, and characterized. 2-HAH was shown to be monomeric in solution and contained a non-covalent, yet tightly bound, flavin adenine dinucleotide (FAD). Although the catalyzed reaction was redox-neutral, 2-HAH was active only in the reduced state. A covalent flavin-substrate intermediate, consistent with the flavin-acrylate iminium ion, was trapped with cyanoborohydride and characterized by mass spectrometry. Small-angle X-ray scattering was consistent with 2-HAH belonging to the succinate dehydrogenase/fumarate reductase family of flavoproteins. These studies establish 2-HAH as a novel noncanonical flavoenzyme. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental identification of nonlinear coupling between (intermediate, small)-scale microturbulence and an MHD mode in the core of a superconducting tokamak

NASA Astrophysics Data System (ADS)

Sun, P. J.; Li, Y. D.; Ren, Y.; Zhang, X. D.; Wu, G. J.; Xu, L. Q.; Chen, R.; Li, Q.; Zhao, H. L.; Zhang, J. Z.; Shi, T. H.; Wang, Y. M.; Lyu, B.; Hu, L. Q.; Li, J.; The EAST Team

2018-01-01

In this paper, we present clear experimental evidence of core region nonlinear coupling between (intermediate, small)-scale microturbulence and an magnetohydrodynamics (MHD) mode during the current ramp-down phase in a set of L-mode plasma discharges in the experimental advanced superconducting tokamak (EAST, Wan et al (2006 Plasma Sci. Technol. 8 253)). Density fluctuations of broadband microturbulence (k\\perpρi˜2{-}5.2 ) and the MHD mode (toroidal mode number m = -1 , poloidal mode number n = 1 ) are measured simultaneously, using a four-channel tangential CO2 laser collective scattering diagnostic in core plasmas. The nonlinear coupling between the broadband microturbulence and the MHD mode is directly demonstrated by showing a statistically significant bicoherence and modulation of turbulent density fluctuation amplitude by the MHD mode.

Acoustic Anomalies and Phase Transition Behaviors of Lead-Free Piezoelectric (Na1/2Bi1/2)TiO₃-xBaTiO₃ Single Crystals as Revealed by Brillouin Light Scattering.

PubMed

Lee, Byoung Wan; Oh, Soo Han; Ko, Jae-Hyeon; Li, Xiaobing; Luo, Haosu

2018-06-12

The elastic properties of unpoled and prepoled (Na 1/2 Bi 1/2 )TiO₃- x BaTiO₃ (NBT- x BT) single crystals near the morphotropic phase boundary were investigated as a function of temperature using Brillouin light scattering. The acoustic mode frequency and the related acoustic damping of unpoled NBT- x BT showed very broad minimum and maximum, respectively, consistent with typical relaxor behaviors. The frequency softening of the longitudinal acoustic mode together with the increase in acoustic damping was largest along the <100> direction, indicating that polarization fluctuations were most substantial along this crystallographic direction. The difference in acoustic behaviors between the unpoled NBT- x BTs with x = 0.05 and 0.08 were negligible, which means that the NBT- x BT system exhibits typical relaxor properties over a certain composition range of at least 5~8%. The obtained relaxation time of polar nanoregions in the paraelectric phase showed a gradual slowing-down character without any critical divergent behavior. The prepoling of NBT- x BT along the <100> direction induced drastic changes in both mode frequency and damping at ~110 °C when the poling field was larger than 1.4 kV/mm, corresponding to the depoling process from macroscopic/mesoscopic ferroelectric order to ergodic relaxor state upon heating. Phase coexistence of ferroelectric and relaxor states was observed at the intermediate poling field of 1.4 kV/mm.

Formation Mechanism and Control of Perovskite Films from Solution to Crystalline Phase Studied by in Situ Synchrotron Scattering.

PubMed

Chang, Chun-Yu; Huang, Yu-Ching; Tsao, Cheng-Si; Su, Wei-Fang

2016-10-12

Controlling the crystallization and morphology of perovskite films is crucial for the fabrication of high-efficiency perovskite solar cells. For the first time, we investigate the formation mechanism of the drop-cast perovskite film from its precursor solution, PbCl 2 and CH 3 NH 3 I in N,N-dimethylformamide, to a crystalline CH 3 NH 3 PbI 3-x Cl x film at different substrate temperatures from 70 to 180 °C in ambient air and humidity. We employed an in situ grazing-incidence wide-angle X-ray scattering (GIWAXS) technique for this study. When the substrate temperature is at or below 100 °C, the perovskite film is formed in three stages: the initial solution stage, transition-to-solid film stage, and transformation stage from intermediates into a crystalline perovskite film. In each stage, the multiple routes for phase transformations are preceded concurrently. However, when the substrate temperature is increased from 100 to 180 °C, the formation mechanism of the perovskite film is changed from the "multistage formation mechanism" to the "direct formation mechanism". The proposed mechanism has been applied to understand the formation of a perovskite film containing an additive. The result of this study provides a fundamental understanding of the functions of the solvent and additive in the solution and transition states to the crystalline film. It provides useful knowledge to design and fabricate crystalline perovskite films for high-efficiency solar cells.

Constraints on Particle Sizes in Saturn's G Ring from Ring Plane Crossing Observations

NASA Astrophysics Data System (ADS)

Throop, H. B.; Esposito, L. W.

1996-09-01

The ring plane crossings in 1995--96 allowed earth-based observations of Saturn's diffuse rings (Nicholson et al., Nature 272, 1996; De Pater et al. Icarus 121, 1996) at a phase angle of alpha ~ 5 deg . We calculate the G ring reflectance for steady state distributions of dust to km-sized bodies from a range of physical models which track the evolution of the G ring from its initial formation following the disruption of a progenitor satellite (Canup & Esposito 1996, \\ Icarus,\\ in press). We model scattering from the ring's small particles using an exact T-matrix method for nonspherical, absorptive particles (Mishchenko et al. 1996, \\ JGR Atmo., in press), large particles using the phase function and spectrum of Europa, and intermediate particles using a linear combination of the small and large limits. Two distinct particle size distributions from the CE96 model fit the observed spectrum. The first is that of a dusty ring, with the majority of ring reflectance in dust particles of relatedly shallow power law size distribution exponent q ~ 2.5. The second has equal reflectances from a) dust in the range q ~ 3.5 -- 6.5 and b) macroscopic bodies > 1 mm. In this second case, the respective slightly blue and red components combine to form the observed relatively flat spectrum. Although light scattering in backscatter is not sufficient to completely constrain the G ring size distribution, the distributions predicted by the CE96 model can explain the earth-based observations.

Snow particles extracted from X-ray computed microtomography imagery and their single-scattering properties

NASA Astrophysics Data System (ADS)

Ishimoto, Hiroshi; Adachi, Satoru; Yamaguchi, Satoru; Tanikawa, Tomonori; Aoki, Teruo; Masuda, Kazuhiko

2018-04-01

Sizes and shapes of snow particles were determined from X-ray computed microtomography (micro-CT) images, and their single-scattering properties were calculated at visible and near-infrared wavelengths using a Geometrical Optics Method (GOM). We analyzed seven snow samples including fresh and aged artificial snow and natural snow obtained from field samples. Individual snow particles were numerically extracted, and the shape of each snow particle was defined by applying a rendering method. The size distribution and specific surface area distribution were estimated from the geometrical properties of the snow particles, and an effective particle radius was derived for each snow sample. The GOM calculations at wavelengths of 0.532 and 1.242 μm revealed that the realistic snow particles had similar scattering phase functions as those of previously modeled irregular shaped particles. Furthermore, distinct dendritic particles had a characteristic scattering phase function and asymmetry factor. The single-scattering properties of particles of effective radius reff were compared with the size-averaged single-scattering properties. We found that the particles of reff could be used as representative particles for calculating the average single-scattering properties of the snow. Furthermore, the single-scattering properties of the micro-CT particles were compared to those of particle shape models using our current snow retrieval algorithm. For the single-scattering phase function, the results of the micro-CT particles were consistent with those of a conceptual two-shape model. However, the particle size dependence differed for the single-scattering albedo and asymmetry factor.

Dynamics Analysis of Anti-predator Model on Intermediate Predator With Ratio Dependent Functional Responses

NASA Astrophysics Data System (ADS)

Savitri, D.

2018-01-01

This articel discusses a predator prey model with anti-predator on intermediate predator using ratio dependent functional responses. Dynamical analysis performed on the model includes determination of equilibrium point, stability and simulation. Three kinds of equilibrium points have been discussed, namely the extinction of prey point, the extinction of intermediate predator point and the extinction of predator point are exists under certain conditions. It can be shown that the result of numerical simulations are in accordance with analitical results

Dual function catalysts. Dehydrogenation and asymmetric intramolecular Diels-Alder cycloaddition of N-hydroxy formate esters and hydroxamic acids: evidence for a ruthenium-acylnitroso intermediate.

PubMed

Chow, Chun P; Shea, Kenneth J

2005-03-23

The chiral ruthenium salen complex, 13b, functions as an efficient catalyst for the sequential oxidation and asymmetric Diels-Alder cycloaddition of hydroxamic acids and N-hydroxy formate esters. This result provides evidence for the formation of a ruthenium-nitroso formate (acyl nitroso) intermediate. The Diels-Alder precursors are prepared from simple building blocks, and the cycloadducts, bridged oxazinolactams, can serve as useful intermediates in organic synthesis.

Parallel Measurements of Light Scattering and Characterization of Marine Particles in Water: An Evaluation of Methodology

DTIC Science & Technology

2008-01-01

A second objective is to characterize variability in the volume scattering function and particle size distribution for various optical water types...volume scattering function (VSF) and the particle size distribution (PSD) • Analysis of in situ optical measurements and particle size distributions ...SPONSOR/MONITOR’S REPORT NUMBER(S) 12. DISTRIBUTION /AVAILABILITY STATEMENT Approved for public release; distribution unlimited 13. SUPPLEMENTARY

Modeling of particle radiative properties in coal combustion depending on burnout

NASA Astrophysics Data System (ADS)

Gronarz, Tim; Habermehl, Martin; Kneer, Reinhold

2017-04-01

In the present study, absorption and scattering efficiencies as well as the scattering phase function of a cloud of coal particles are described as function of the particle combustion progress. Mie theory for coated particles is applied as mathematical model. The scattering and absorption properties are determined by several parameters: size distribution, spectral distribution of incident radiation and spectral index of refraction of the particles. A study to determine the influence of each parameter is performed, finding that the largest effect is due to the refractive index, followed by the effect of size distribution. The influence of the incident radiation profile is negligible. As a part of this study, the possibility of applying a constant index of refraction is investigated. Finally, scattering and absorption efficiencies as well as the phase function are presented as a function of burnout with the presented model and the results are discussed.

Development of a practical image-based scatter correction method for brain perfusion SPECT: comparison with the TEW method.

PubMed

Shidahara, Miho; Watabe, Hiroshi; Kim, Kyeong Min; Kato, Takashi; Kawatsu, Shoji; Kato, Rikio; Yoshimura, Kumiko; Iida, Hidehiro; Ito, Kengo

2005-10-01

An image-based scatter correction (IBSC) method was developed to convert scatter-uncorrected into scatter-corrected SPECT images. The purpose of this study was to validate this method by means of phantom simulations and human studies with 99mTc-labeled tracers, based on comparison with the conventional triple energy window (TEW) method. The IBSC method corrects scatter on the reconstructed image I(mub)AC with Chang's attenuation correction factor. The scatter component image is estimated by convolving I(mub)AC with a scatter function followed by multiplication with an image-based scatter fraction function. The IBSC method was evaluated with Monte Carlo simulations and 99mTc-ethyl cysteinate dimer SPECT human brain perfusion studies obtained from five volunteers. The image counts and contrast of the scatter-corrected images obtained by the IBSC and TEW methods were compared. Using data obtained from the simulations, the image counts and contrast of the scatter-corrected images obtained by the IBSC and TEW methods were found to be nearly identical for both gray and white matter. In human brain images, no significant differences in image contrast were observed between the IBSC and TEW methods. The IBSC method is a simple scatter correction technique feasible for use in clinical routine.

Low-energy electron scattering from atomic hydrogen. I. Ionization

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

Childers, J.G.; James, K.E. Jr.; Bray, Igor

2004-02-01

Absolute doubly differential cross sections for the ionization of atomic hydrogen by electron impact have been measured at energies ranging from near threshold to intermediate values. The measurements are normalized to the accurate differential cross section for the electron-impact excitation of the H 1 {sup 2}S{yields}2 {sup 2}S+2 {sup 2}P transition. These measurements were made possible through the use of a moveable target source which enables the collection of hydrogen energy loss spectra free of all backgrounds. The measurements cover the incident electron energy range of 14.6-40 eV and scattering angles from 12 deg. to 127 deg., and are inmore » very good agreement with the results of the latest theoretical models--the convergent close-coupling model and the exterior complex scaling model.« less

The realization of Majorana fermions in Kitaev Quantum Spin Lattice

NASA Astrophysics Data System (ADS)

Do, Seung-Hwan; Park, Sang-Youn; Yoshitake, Junki; Nasu, Joji; Motome, Yukitoshi; Kwon, Y. S.; Adroja, D. T.; Voneshen, D.; Park, J.-H.; Choi, Kwang-Yong; Ji, Sungdae

The Kitaev honeycomb lattice is envisioned as an ideal host for Majorana fermions that are created out of the spin liquid background. Combining specific heat and neutron scattering experiments with theoretical calculations, here, we establish a hitherto unparalleled spin fractionalization to two species of Majorana fermions in the Kitaev material α-RuCl3. The specific heat data unveil a two-stage release of magnetic entropy by (R/2)ln2 and the T-linear dependence at intermediate temperatures. Our inelastic neutron scattering measurements further corroborate two distinct characters of fractionalized excitations: an Y-like, dispersive, magnetic continuum at higher energies and a dispersionless excitation at low energies around the Brillouin zone center. These dual features are well described by a Ferromagnetic Kitaev model, providing a smoking gun proof of the itinerant and localized Majorana fermions emergent in Kitaev magnets.

Reusable three-dimensional nanostructured substrates for surface-enhanced Raman scattering.

PubMed

Zhu, Zhendong; Li, Qunqing; Bai, Benfeng; Fan, Shoushan

2014-01-13

To date, fabricating three-dimensional (3D) nanostructured substrate with small nanogap was a laborious challenge by conventional fabrication techniques. In this article, we address a simple, low-cost, large-area, and spatially controllable method to fabricate 3D nanostructures, involving hemisphere, hemiellipsoid, and pyramidal pits based on nanosphere lithography (NSL). These 3D nanostructures were used as surface-enhanced Raman scattering (SERS) substrates of single Rhodamine 6G (R6G) molecule. The average SERS enhancement factor achieved up to 1011. The inevitably negative influence of the adhesion-promoting intermediate layer of Cr or Ti was resolved by using such kind of 3D nanostructures. The nanostructured quartz substrate is a free platform as a SERS substrate and is nondestructive when altering with different metal films and is recyclable, which avoids the laborious and complicated fabricating procedures.

Reusable three-dimensional nanostructured substrates for surface-enhanced Raman scattering

PubMed Central

2014-01-01

To date, fabricating three-dimensional (3D) nanostructured substrate with small nanogap was a laborious challenge by conventional fabrication techniques. In this article, we address a simple, low-cost, large-area, and spatially controllable method to fabricate 3D nanostructures, involving hemisphere, hemiellipsoid, and pyramidal pits based on nanosphere lithography (NSL). These 3D nanostructures were used as surface-enhanced Raman scattering (SERS) substrates of single Rhodamine 6G (R6G) molecule. The average SERS enhancement factor achieved up to 1011. The inevitably negative influence of the adhesion-promoting intermediate layer of Cr or Ti was resolved by using such kind of 3D nanostructures. The nanostructured quartz substrate is a free platform as a SERS substrate and is nondestructive when altering with different metal films and is recyclable, which avoids the laborious and complicated fabricating procedures. PMID:24417892

Impact of iron-site defects on superconductivity in LiFeAs

DOE PAGES

Chi, Shun; Aluru, Ramakrishna; Singh, Udai Raj; ...

2016-10-19

In conventional s -wave superconductors, only magnetic impurities exhibit impurity bound states, whereas for an s ± order parameter they can occur for both magnetic and nonmagnetic impurities. Impurity bound states in superconductors can thus provide important insight into the order parameter. We present a combined experimental and theoretical study of native and engineered iron-site defects in LiFeAs. A detailed comparison of tunneling spectra measured on impurities with spin-fluctuation theory reveals a continuous evolution from negligible impurity-bound-state features for weaker scattering potential to clearly detectable states for somewhat stronger scattering potentials. Furthermore, all bound states for these intermediate strengthmore » potentials are pinned at or close to the gap edge of the smaller gap, a phenomenon that we explain and ascribe to multiorbital physics.« less

Coherent band excitations in CePd 3: A comparison of neutron scattering and ab initio theory

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

Goremychkin, Eugene A.; Park, Hyowon; Osborn, Raymond

In common with many strongly correlated electron systems, intermediate valence compounds are believed to display a crossover from a high-temperature regime of incoherently fluctuating local moments to a low-temperature regime of coherent hybridized bands. In this work, we show that inelastic neutron scattering measurements of the dynamic magnetic susceptibility of CePd 3 provides a benchmark for ab initio calculations based on dynamical mean field theory. The magnetic response is strongly momentum dependent thanks to the formation of coherent f-electron bands at low temperature, with an amplitude that is strongly enhanced by local particle-hole interactions. Finally, the agreement between experiment andmore » theory shows that we have a robust first-principles understanding of the temperature dependence of f-electron coherence.« less

Thomson scattering in the average-atom approximation.

PubMed

Johnson, W R; Nilsen, J; Cheng, K T

2012-09-01

The average-atom model is applied to study Thomson scattering of x-rays from warm dense matter with emphasis on scattering by bound electrons. Parameters needed to evaluate the dynamic structure function (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) are obtained from the average-atom model. The resulting analysis provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, and titanium plasmas. In the case of titanium, bound states are predicted to modify the spectrum significantly.

Analytical fitting model for rough-surface BRDF.

PubMed

Renhorn, Ingmar G E; Boreman, Glenn D

2008-08-18

A physics-based model is developed for rough surface BRDF, taking into account angles of incidence and scattering, effective index, surface autocovariance, and correlation length. Shadowing is introduced on surface correlation length and reflectance. Separate terms are included for surface scatter, bulk scatter and retroreflection. Using the FindFit function in Mathematica, the functional form is fitted to BRDF measurements over a wide range of incident angles. The model has fourteen fitting parameters; once these are fixed, the model accurately describes scattering data over two orders of magnitude in BRDF without further adjustment. The resulting analytical model is convenient for numerical computations.

Scattering properties of natural snow and frost - Comparison with icy satellite photometry

NASA Technical Reports Server (NTRS)

Verbiscer, Anne J.; Veverka, Joseph

1990-01-01

The Hapke (1986) equation is presently fit to ascertain the single-scattering albedo of the icy satellites of Uranus and Neptune and the one-term Henyey-Greenstein particle-phase function g for each of the Middleton and Mungall (1952) goniophotometric data samples. There emerge both very high single-scattering albedos and strongly forward-scattering particle phase functions; while these are in keeping with Mie theory-based theoretical considerations, they contrast with the observed backscattering behavior of icy satellites. It is suggested the icy satellite frost grains are aggregated into particles of complex texture, which produce the unusual backscattering behavior.

Direct Calculation of the Scattering Amplitude Without Partial Wave Decomposition. III; Inclusion of Correlation Effects

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, Aaron

2007-01-01

In the first two papers in this series, we developed a method for studying electron-hydrogen scattering that does not use partial wave analysis. We constructed an ansatz for the wave function in both the static and static exchange approximations and calculated the full scattering amplitude. Here we go beyond the static exchange approximation, and include correlation in the wave function via a modified polarized orbital. This correlation function provides a significant improvement over the static exchange approximation: the resultant elastic scattering amplitudes are in very good agreement with fully converged partial wave calculations for electron-hydrogen scattering. A fully variational modification of this approach is discussed in the conclusion of the article Popular summary of Direct calculation of the scattering amplitude without partial wave expansion. III ....." by J. Shertzer and A. Temkin. In this paper we continue the development of In this paper we continue the development of a new approach to the way in which researchers have traditionally used to calculate the scattering cross section of (low-energy) electrons from atoms. The basic mathematical problem is to solve the Schroedinger Equation (SE) corresponding the above physical process. Traditionally it was always the case that the SE was reduced to a sequence of one-dimensional (ordinary) differential equations - called partial waves which were solved and from the solutions "phase shifts" were extracted, from which the scattering cross section was calculated.

PSR B0329+54: Statistics of Substructure Discovered within the Scattering Disk on RadioAstron Baselines of up to 235,000 km

NASA Astrophysics Data System (ADS)

Gwinn, C. R.; Popov, M. V.; Bartel, N.; Andrianov, A. S.; Johnson, M. D.; Joshi, B. C.; Kardashev, N. S.; Karuppusamy, R.; Kovalev, Y. Y.; Kramer, M.; Rudnitskii, A. G.; Safutdinov, E. R.; Shishov, V. I.; Smirnova, T. V.; Soglasnov, V. A.; Steinmassl, S. F.; Zensus, J. A.; Zhuravlev, V. I.

2016-05-01

We discovered fine-scale structure within the scattering disk of PSR B0329+54 in observations with the RadioAstron ground-space radio interferometer. Here we describe this phenomenon, characterize it with averages and correlation functions, and interpret it as the result of decorrelation of the impulse-response function of interstellar scattering between the widely separated antennas. This instrument included the 10 m Space Radio Telescope, the 110 m Green Bank Telescope, the 14 × 25 m Westerbork Synthesis Radio Telescope, and the 64 m Kalyazin Radio Telescope. The observations were performed at 324 MHz on baselines of up to 235,000 km in 2012 November and 2014 January. In the delay domain, on long baselines the interferometric visibility consists of many discrete spikes within a limited range of delays. On short baselines it consists of a sharp spike surrounded by lower spikes. The average envelope of correlations of the visibility function shows two exponential scales, with characteristic delays of {τ }1=4.1+/- 0.3 μ {{s}} and {τ }2=23+/- 3 μ {{s}}, indicating the presence of two scales of scattering in the interstellar medium. These two scales are present in the pulse-broadening function. The longer scale contains 0.38 times the scattered power of the shorter one. We suggest that the longer tail arises from highly scattered paths, possibly from anisotropic scattering or from substructure at large angles.

Numerical analysis of dysplasia-associated changes in depth-dependent light scattering profile of cervical epithelium

NASA Astrophysics Data System (ADS)

Arifler, Dizem; MacAulay, Calum; Follen, Michele; Guillaud, Martial

2013-06-01

Dysplastic progression is known to be associated with changes in morphology and internal structure of cells. A detailed assessment of the influence of these changes on cellular scattering response is needed to develop and optimize optical diagnostic techniques. In this study, we first analyzed a set of quantitative histopathologic images from cervical biopsies and we obtained detailed information on morphometric and photometric features of segmented epithelial cell nuclei. Morphometric parameters included average size and eccentricity of the best-fit ellipse. Photometric parameters included optical density measures that can be related to dielectric properties and texture characteristics of the nuclei. These features enabled us to construct realistic three-dimensional computational models of basal, parabasal, intermediate, and superficial cell nuclei that were representative of four diagnostic categories, namely normal (or negative for dysplasia), mild dysplasia, moderate dysplasia, and severe dysplasia or carcinoma in situ. We then employed the finite-difference time-domain method, a popular numerical tool in electromagnetics, to compute the angle-resolved light scattering properties of these representative models. Results indicated that a high degree of variability can characterize a given diagnostic category, but scattering from moderately and severely dysplastic or cancerous nuclei was generally observed to be stronger compared to scattering from normal and mildly dysplastic nuclei. Simulation results also pointed to significant intensity level variations among different epithelial depths. This suggests that intensity changes associated with dysplastic progression need to be analyzed in a depth-dependent manner.

A full-potential approach to the relativistic single-site Green's function

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2016-07-07

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

Pair distribution functions of amorphous organic thin films from synchrotron X-ray scattering in transmission mode

DOE PAGES

Shi, Chenyang; Teerakapibal, Rattavut; Yu, Lian; ...

2017-07-10

Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accurate in situmore » structural studies for a wide range of materials.« less

Light scattering study of rheumatoid arthritis

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

Beuthan, J; Netz, U; Minet, O

The distribution of light scattered by finger joints is studied in the near-IR region. It is shown that variations in the optical parameters of the tissue (scattering coefficient {mu}{sub s}, absorption coefficient {mu}{sub a}, and anisotropy factor g) depend on the presence of the rheumatoid arthritis (RA). At the first stage, the distribution of scattered light was measured in diaphanoscopic experiments. The convolution of a Gaussian error function with the scattering phase function proved to be a good approximation of the data obtained. Then, a new method was developed for the reconstruction of distribution of optical parameters in the fingermore » cross section. Model tests of the quality of this reconstruction method show good results. (laser biology and medicine)« less

Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II: Inclusion of Exchange

NASA Technical Reports Server (NTRS)

Shertzer, Janine; Temkin, A.

2003-01-01

As is well known, the full scattering amplitude can be expressed as an integral involving the complete scattering wave function. We have shown that the integral can be simplified and used in a practical way. Initial application to electron-hydrogen scattering without exchange was highly successful. The Schrodinger equation (SE), which can be reduced to a 2d partial differential equation (pde), was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation, which is reducible to a pair of coupled pde's. The resultant scattering amplitudes, both singlet and triplet, calculated as a function of energy are in excellent agreement with converged partial wave results.

Pair distribution functions of amorphous organic thin films from synchrotron X-ray scattering in transmission mode

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

Shi, Chenyang; Teerakapibal, Rattavut; Yu, Lian

2017-07-10

Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accuratein situstructuralmore » studies for a wide range of materials.« less

Scattering Properties of Needle-Like and plate-like Ice Spheroids with Moderate Size Parameters

NASA Technical Reports Server (NTRS)

Zakharova, Nadia T.; Mishchenko, Michael I.; Hansen, James E. (Technical Monitor)

2000-01-01

We use the current advanced version of the T-matrix method to compute the optical cross sections, the asymmetry parameter of the phase function, and the scattering matrix elements of ice spheroids with aspect ratios up to 20 and surface-equivalent-sphere size parameters up to 12. We demonstrate that plate-like and needle-like particles with moderate size parameters possess unique scattering properties: their asymmetry parameters and phase functions are similar to those of surface-equivalent spheres, whereas all other elements of the scattering matrix are typical of particles much smaller than the wavelength (Rayleigh scatterers). This result may have important implications for optical particle sizing and remote sensing of the terrestrial and planetary atmospheres.

Interface with weakly singular points always scatter

NASA Astrophysics Data System (ADS)

Li, Long; Hu, Guanghui; Yang, Jiansheng

2018-07-01

Assume that a bounded scatterer is embedded into an infinite homogeneous isotropic background medium in two dimensions. The refractive index function is supposed to be piecewise constant. If the scattering interface contains a weakly singular point, we prove that the scattered field cannot vanish identically. This implies the absence of non-scattering energies for piecewise analytic interfaces with one singular point. Local uniqueness is obtained for shape identification problems in inverse medium scattering with a single far-field pattern.

An investigation of the forward scattering theorem

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1987-01-01

The calculation of an EM wave's extinction loss during propagation within an inhomogeneous medium, as in active and passive remote sensing modeling, can be undertaken either through the summation of the scattering and absorption losses or through the use of the forward scattering theorem. Attention is presently given to the similarities and differences of these two approaches as a function of dielectric properties of a spherical scatterer and the incident frequency. Scattering loss is obtainable by integrating the magnitude-squared of the scattered field over a spherical surface surrounding the scatterer; the scattered field and the field within the scatterer are computed according to Mie theory.

A novel methodology for radiative transfer in a planetary atmosphere. I - The functions a exponent m and b exponent m of anisotropic scattering

NASA Technical Reports Server (NTRS)

Fymat, A. L.; Kalaba, R. E.

1977-01-01

The original problem of anisotropic scattering in an atmosphere illuminated by a unidirectional source is replaced by an analogous formulation where the incident light is omnidirectional. A radiative-transfer equation for the omnidirectional case is obtained in which the direction of illumination plays no role and the source-function analog, Sobolev's (1972) source function Phi exponent m, contains only a single integral term. For radiation incident on the top or the bottom of the atmosphere, this equation involves the functions b exponent m and h exponent m, respectively, with m corresponding to the order of the harmonic component of the scattered radiation field; these two functions are shown to be only one through some simple reciprocity relations. The transfer problem is then reformulated for the function a exponent m, in which case the source-function analog (Sobolev's function D exponent m) involves incident direction.

THE CASE FOR CHANGE--IN THE FUNCTIONS OF THE INTERMEDIATE UNIT.

ERIC Educational Resources Information Center

TRILLINGHAM, C.C.

THE INTERMEDIATE OR COUNTY AREA OF EDUCATIONAL RESPONSIBILITY PROVIDES DIRECT SERVICES TO SMALL LOCAL DISTRICTS AND CONSULTATIVE SERVICES TO LARGER DISTRICTS, WHILE PERFORMING REPORTING FUNCTIONS TO STATE DEPARTMENTS OF EDUCATION. SINCE GROWTH IN POPULATION AND DISTRICT CONSOLIDATION AND REORGANIZATION ARE GREATLY REDUCING THE NEED FOR DIRECT…

Simulation of multiple scattering in a medium with an anisotropic scattering pattern

NASA Astrophysics Data System (ADS)

Kuzmin, V. L.; Val'kov, A. Yu.

2017-03-01

Multiple backscattering from layers with various thicknesses, including the case of half-space, is numerically simulated and a comparative analysis is performed for systems with the anisotropy of scattering described by the Henyey-Greenstein and Rayleigh-Gans phase functions. It is shown that the intensity of backscattering depends on the form of the phase function; the difference between the intensities obtained within the two models increases with anisotropy.

Polarized optical scattering by inhomogeneities and surface roughness in an anisotropic thin film.

PubMed

Germer, Thomas A; Sharma, Katelynn A; Brown, Thomas G; Oliver, James B

2017-11-01

We extend the theory of Kassam et al. [J. Opt. Soc. Am. A12, 2009 (1995)JOAOD60740-323210.1364/JOSAA.12.002009] for scattering by oblique columnar structure thin films to include the induced form birefringence and the propagation of radiation in those films. We generalize the 4×4 matrix theory of Berreman [J. Opt. Soc. Am.62, 502 (1972)JOSAAH0030-394110.1364/JOSA.62.000502] to include arbitrary sources in the layer, which are necessary to determine the Green function for the inhomogeneous wave equation. We further extend first-order vector perturbation theory for scattering by roughness in the smooth surface limit, when the layer is anisotropic. Scattering by an inhomogeneous medium is approximated by a distorted Born approximation, where effective medium theory is used to determine the effective properties of the medium, and strong fluctuation theory is used to determine the inhomogeneous sources. In this manner, we develop a model for scattering by inhomogeneous films, with anisotropic correlation functions. The results are compared with Mueller matrix bidirectional scattering distribution function measurements for a glancing-angle deposition (GLAD) film. While the results are applied to the GLAD film example, the development of the theory is general enough that it can guide simulations for scattering in other anisotropic thin films.

Anisotropic scattering of discrete particle arrays.

PubMed

Paul, Joseph S; Fu, Wai Chong; Dokos, Socrates; Box, Michael

2010-05-01

Far-field intensities of light scattered from a linear centro-symmetric array illuminated by a plane wave of incident light are estimated at a series of detector angles. The intensities are computed from the superposition of E-fields scattered by the individual array elements. An average scattering phase function is used to model the scattered fields of individual array elements. The nature of scattering from the array is investigated using an image (theta-phi plot) of the far-field intensities computed at a series of locations obtained by rotating the detector angle from 0 degrees to 360 degrees, corresponding to each angle of incidence in the interval [0 degrees 360 degrees]. The diffraction patterns observed from the theta-Phi plot are compared with those for isotropic scattering. In the absence of prior information on the array geometry, the intensities corresponding to theta-Phi pairs satisfying the Bragg condition are used to estimate the phase function. An algorithmic procedure is presented for this purpose and tested using synthetic data. The relative error between estimated and theoretical values of the phase function is shown to be determined by the mean spacing factor, the number of elements, and the far-field distance. An empirical relationship is presented to calculate the optimal far-field distance for a given specification of the percentage error.

Analysis of hyperspectral scattering profiles using a generalized Gaussian distribution function for prediction of apple firmness and soluble solids content

USDA-ARS?s Scientific Manuscript database

Hyperspectral scattering provides an effective means for characterizing light scattering in the fruit and is thus promising for noninvasive assessment of apple firmness and soluble solids content (SSC). A critical problem encountered in application of hyperspectral scattering technology is analyzing...

Dynamic correlation effects in fully differential cross sections for 75-keV proton-impact ionization of helium

NASA Astrophysics Data System (ADS)

Niu, Xiaojie; Sun, Shiyan; Wang, Fujun; Jia, Xiangfu

2017-08-01

The effect of final-state dynamic correlation is investigated for helium single ionization by 75-keV proton impact analyzing fully differential cross sections (FDCS). The final state is represented by a continuum correlated wave (CCW-PT) function which accounts for the interaction between the projectile and the residual target ion (PT interaction). This continuum correlated wave function partially includes the correlation of electron-projectile and electron-target relative motion as coupling terms of the wave equation. The transition matrix is evaluated using the CCW-PT function and the Born initial state. The analytical expression of the transition matrix has been obtained. We have shown that this series is strongly convergent and analyzed the contribution of their different terms to the FDCS within the perturbation method. Illustrative computations are performed in the scattering plane and in the perpendicular plane. Both the correlation effects and the PT interaction are checked by the preset calculations. Our results are compared with absolute experimental data as well as other theoretical models. We have shown that the dynamic correlation plays an important role in the single ionization of atoms by proton impact at intermediate projectile energies, especially at large transverse momentum transfer. While overall agreement between theory and the experimental data is encouraging, detailed agreement is lacking. The need for more theoretical and experimental work is emphasized.

Interior radiances in optically deep absorbing media. III Scattering from Haze L

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.

1975-01-01

The interior radiances are calculated within an optically deep absorbing medium scattering according to the Haze L phase function. The dependence on the solar zenith angle, the single scattering albedo, and the optical depth within the medium is calculated by the matrix operator method. The development of the asymptotic angular distribution of the radiance in the diffusion region is illustrated through a number of examples; it depends only on the single scattering albedo and on the phase function for single scattering. The exact values of the radiance in the diffusion region are compared with values calculated from the approximate equations proposed by Van de Hulst. The variation of the radiance near the lower boundary of an optically thick medium is illustrated with examples. The attenuation length is calculated for various single scattering albedos and compared with the corresponding values for Rayleigh scattering. The ratio of the upward to the downward flux is found to be remarkably constant within the medium.

Stimulated Brillouin scattering in the field of a two-dimensionally localized pumping wave

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

Solikhov, D. K., E-mail: davlat56@mail.ru; Dvinin, S. A., E-mail: dvinin@phys.msu.ru

2016-06-15

Stimulated Brillouin scattering of electromagnetic waves in the field of a two-dimensionally localized pump wave at arbitrary scattering angles in the regime of forward scattering is analyzed. Spatial variations in the amplitudes of interacting waves are studied for different values of the pump field and different dimensions of the pump wave localization region. The intensity of scattered radiation is determined as a function of the scattering angle and the dimensions of the pump wave localization region. It is shown that the intensity increases with increasing scattering angle.

Scattering images from autocorrelation functions of P-wave seismic velocity images: the case of Tenerife Island (Canary Islands, Spain)

NASA Astrophysics Data System (ADS)

García-Yeguas, A.; Sánchez-Alzola, A.; De Siena, L.; Prudencio, J.; Díaz-Moreno, A.; Ibáñez, J. M.

2018-03-01

We present a P-wave scattering image of the volcanic structures under Tenerife Island using the autocorrelation functions of P-wave vertical velocity fluctuations. We have applied a cluster analysis to total quality factor attenuation ( {Q}_t^{-1} ) and scattering quality factor attenuation ( {Q}_{PSc}^{-1} ) images to interpret the structures in terms of intrinsic and scattering attenuation variations on a 2D plane, corresponding to a depth of 2000 m, and check the robustness of the scattering imaging. The results show that scattering patterns are similar to total attenuation patterns in the south of the island. There are two main areas where patterns differ: at Cañadas-Teide-Pico Viejo Complex, high total attenuation and average-to-low scattering values are observed. We interpret the difference as induced by intrinsic attenuation. In the Santiago Ridge Zone (SRZ) region, high scattering values correspond to average total attenuation. In our interpretation, the anomaly is induced by an extended scatterer, geometrically related to the surficial traces of Garachico and El Chinyero historical eruptions and the area of highest seismic activity during the 2004-2008 seismic crises.

Electron scattering from gas phase cis-diamminedichloroplatinum(II): Quantum analysis of resonance dynamics

NASA Astrophysics Data System (ADS)

Carey, Ralph; Lucchese, Robert R.; Gianturco, F. A.

2013-05-01

We present scattering calculations of electron collisions with the platinum-containing compound cis-diamminedichloroplatinum (CDDP), commonly known as cisplatin, between 0.5 eV and 6 eV, and the corresponding isolated Pt atom from 0.1 eV to 10 eV. We find evidence of resonances in e--CDDP scattering, using an ab initio description of the target. We computed scattering matrix elements from equations incorporating exchange and polarization effects through the use of the static-exchange plus density functional correlation potential. Additionally, we made use of a purely local adiabatic model potential that allows Siegert eigenstates to be calculated, thereby allowing inspection of the possible resonant scattering wave functions. The total cross section for electron scattering from (5d10) 1S Pt displays a large magnitude, monotonic decay from the initial collision energies, with no apparent resonance scattering features in any scattering symmetry. By contrast, the e--CDDP scattering cross section shows a small feature near 3.8 eV, which results from a narrow, well localized resonance of b2 symmetry. These findings are then related to the possible electron-mediated mechanism of the action of CDDP on DNA replication as suggested by recent experiments.

A single-sided homogeneous Green's function representation for holographic imaging, inverse scattering, time-reversal acoustics and interferometric Green's function retrieval

NASA Astrophysics Data System (ADS)

Wapenaar, Kees; Thorbecke, Jan; van der Neut, Joost

2016-04-01

Green's theorem plays a fundamental role in a diverse range of wavefield imaging applications, such as holographic imaging, inverse scattering, time-reversal acoustics and interferometric Green's function retrieval. In many of those applications, the homogeneous Green's function (i.e. the Green's function of the wave equation without a singularity on the right-hand side) is represented by a closed boundary integral. In practical applications, sources and/or receivers are usually present only on an open surface, which implies that a significant part of the closed boundary integral is by necessity ignored. Here we derive a homogeneous Green's function representation for the common situation that sources and/or receivers are present on an open surface only. We modify the integrand in such a way that it vanishes on the part of the boundary where no sources and receivers are present. As a consequence, the remaining integral along the open surface is an accurate single-sided representation of the homogeneous Green's function. This single-sided representation accounts for all orders of multiple scattering. The new representation significantly improves the aforementioned wavefield imaging applications, particularly in situations where the first-order scattering approximation breaks down.

Surface periodicity of Ir(110) from time-of-flight scattering and recoiling spectrometry (TOF-SARS)

NASA Astrophysics Data System (ADS)

Bu, H.; Shi, M.; Rabalais, J. W.

1991-03-01

The surface periodicity of the Ir(110) surface in both the clean reconstructed (1×3) and oxygen stabilized unreconstructed (1×1) phases have been investigated using time-of-flight scattering and recoiling spectrometry (TOF-SARS). A pulsed 4 keV Ar + ion beam is directed at a grazing incident angle to the surface and the scattered neutral plus ion flux is monitored as a function of beam exit angle and crystal azimuthal angle. It is demonstrated that either maxima or minima are obtained in the scattered flux along the low-index crystallographic directions depending on whether near-specular or off-specular scattering conditions, respectively, are used. These scattering intensity patterns as a function of crystal azimuthal angle provide a direct measure of the surface periodicity. These intensity variations are explained in terms of the Lindhard critical angle, semichannel focusing effects, and trajectory simulations.

Monte Carlo Simulations of Arterial Imaging with Optical Coherence Tomography

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

Amendt, P.; Estabrook, K.; Everett, M.

2000-02-01

The laser-tissue interaction code LATIS [London et al., Appl. Optics 36, 9068 ( 1998)] is used to analyze photon scattering histories representative of optical coherence tomography (OCT) experiment performed at Lawrence Livermore National Laboratory. Monte Carlo photonics with Henyey-Greenstein anisotropic scattering is implemented and used to simulate signal discrimination of intravascular structure. An analytic model is developed and used to obtain a scaling law relation for optimization of the OCT signal and to validate Monte Carlo photonics. The appropriateness of the Henyey-Greenstein phase function is studied by direct comparison with more detailed Mie scattering theory using an ensemble of sphericalmore » dielectric scatterers. Modest differences are found between the two prescriptions for describing photon angular scattering in tissue. In particular, the Mie scattering phase functions provide less overall reflectance signal but more signal contrast compared to the Henyey-Greenstein formulation.« less

Scattering-layer-induced energy storage function in polymer-based quasi-solid-state dye-sensitized solar cells.

PubMed

Zhang, Xi; Jiang, Hongrui

2015-03-09

Photo-self-charging cells (PSCs) are compact devices with dual functions of photoelectric conversion and energy storage. By introducing a scattering layer in polymer-based quasi-solid-state dye-sensitized solar cells, two-electrode PSCs with highly compact structure were obtained. The charge storage function stems from the formed ion channel network in the scattering layer/polymer electrolyte system. Both the photoelectric conversion and the energy storage functions are integrated in only the photoelectrode of such PSCs. This design of PSC could continuously output power as a solar cell with considerable efficiency after being photo-charged. Such PSCs could be applied in highly-compact mini power devices.

On the Mathematical Modeling of Single and Multiple Scattering of Ultrasonic Guided Waves by Small Scatterers: A Structural Health Monitoring Measurement Model

NASA Astrophysics Data System (ADS)

Strom, Brandon William

In an effort to assist in the paradigm shift from schedule based maintenance to conditioned based maintenance, we derive measurement models to be used within structural health monitoring algorithms. Our models are physics based, and use scattered Lamb waves to detect and quantify pitting corrosion. After covering the basics of Lamb waves and the reciprocity theorem, we develop a technique for the scattered wave solution. The first application is two-dimensional, and is employed in two different ways. The first approach integrates a traction distribution and replaces it by an equivalent force. The second approach is higher order and uses the actual traction distribution. We find that the equivalent force version of the solution technique holds well for small pits at low frequencies. The second application is three-dimensional. The equivalent force caused by the scattered wave of an arbitrary equivalent force is calculated. We obtain functions for the scattered wave displacements as a function of equivalent forces, equivalent forces as a function of incident wave, and scattered wave amplitudes as a function of incident amplitude. The third application uses self-consistency to derive governing equations for the scattered waves due to multiple corrosion pits. We decouple the implicit set of equations and solve explicitly by using a recursive series solution. Alternatively, we solve via an undetermined coefficient method which results in an interaction operator and solution via matrix inversion. The general solution is given for N pits including mode conversion. We show that the two approaches are equivalent, and give a solution for three pits. Various approximations are advanced to simplify the problem while retaining the leading order physics. As a final application, we use the multiple scattering model to investigate resonance of Lamb waves. We begin with a one-dimensional problem and progress to a three-dimensional problem. A directed graph enables interpretation of the interaction operator, and we show that a series solution converges due to loss of energy in the system. We see that there are four causes of resonance and plot the modulation depth as a function of spacing between the pits.

Anisotropy of the incommensurate fluctuations in Sr2RuO4: a study with polarized neutrons.

PubMed

Braden, M; Steffens, P; Sidis, Y; Kulda, J; Bourges, P; Hayden, S; Kikugawa, N; Maeno, Y

2004-03-05

The anisotropy of the magnetic incommensurate fluctuations in Sr2RuO4 has been studied by inelastic neutron scattering with polarized neutrons. We find a sizable enhancement of the out-of-plane component by a factor of 2 for intermediate energy transfer, which appears to decrease for higher energies. Our results qualitatively confirm calculations of the spin-orbit coupling, but the experimental anisotropy and its energy dependence are weaker than predicted.

QCD analysis of neutrino charged current structure function F2 in deep inelastic scattering

NASA Technical Reports Server (NTRS)

Saleem, M.; Aleem, F.

1985-01-01

An analytic expression for the neutrino charged current structure function F sub 2 (x, Q sup 2) in deep inelastic scattering, consistent with quantum chromodynamics, is proposed. The calculated results are in good agreement with experiment.

Analytical approximations to seawater optical phase functions of scattering

NASA Astrophysics Data System (ADS)

Haltrin, Vladimir I.

2004-11-01

This paper proposes a number of analytical approximations to the classic and recently measured seawater light scattering phase functions. The three types of analytical phase functions are derived: individual representations for 15 Petzold, 41 Mankovsky, and 91 Gulf of Mexico phase functions; collective fits to Petzold phase functions; and analytical representations that take into account dependencies between inherent optical properties of seawater. The proposed phase functions may be used for problems of radiative transfer, remote sensing, visibility and image propagation in natural waters of various turbidity.

E-O Sensor Signal Recognition Simulation: Computer Code SPOT I.

DTIC Science & Technology

1978-10-01

scattering phase function PDCO , defined at the specified wavelength, given for each of the scattering angles defined. Currently, a maximum of sixty-four...PHASE MATRIX DATA IS DEFINED PDCO AVERAGE PROBABILITY FOR PHASE MATRIX DEFINITION NPROB PROBLEM NUMBER 54 Fig. 12. FLOWCHART for the SPOT Computer Code...El0.1 WLAM(N) Wavelength at which the aerosol single-scattering phase function set is defined (microns) 3 8El0.1 PDCO (N,I) Average probability for

Structural analysis of vimentin and keratin intermediate filaments by cryo-electron tomography.

PubMed

Norlén, Lars; Masich, Sergej; Goldie, Kenneth N; Hoenger, Andreas

2007-06-10

Intermediate filaments are a large and structurally diverse group of cellular filaments that are classified into five different groups. They are referred to as intermediate filaments (IFs) because they are intermediate in diameter between the two other cytoskeletal filament systems that is filamentous actin and microtubules. The basic building block of IFs is a predominantly alpha-helical rod with variable length globular N- and C-terminal domains. On the ultra-structural level there are two major differences between IFs and microtubules or actin filaments: IFs are non-polar, and they do not exhibit large globular domains. IF molecules associate via a coiled-coil interaction into dimers and higher oligomers. Structural investigations into the molecular building plan of IFs have been performed with a variety of biophysical and imaging methods such as negative staining and metal-shadowing electron microscopy (EM), mass determination by scanning transmission EM, X-ray crystallography on fragments of the IF stalk and low-angle X-ray scattering. The actual packing of IF dimers into a long filament varies between the different families. Typically the dimers form so called protofibrils that further assemble into a filament. Here we introduce new cryo-imaging methods for structural investigations of IFs in vitro and in vivo, i.e., cryo-electron microscopy and cryo-electron tomography, as well as associated techniques such as the preparation and handling of vitrified sections of cellular specimens.

Composite Laser Ceramics by Advanced Bonding Technology

PubMed Central

Kamimura, Tomosumi; Honda, Sawao

2018-01-01

Composites obtained by bonding materials with the same crystal structure and different chemical compositions can create new functions that do not exist in conventional concepts. We have succeeded in bonding polycrystalline YAG and Nd:YAG ceramics without any interstices at the bonding interface, and the bonding state of this composite was at the atomic level, similar to the grain boundary structure in ceramics. The mechanical strength of the bonded composite reached 278 MPa, which was not less than the strength of each host material (269 and 255 MPa). Thermal conductivity of the composite was 12.3 W/mK (theoretical value) which is intermediate between the thermal conductivities of YAG and Nd:YAG (14.1 and 10.2 W/mK, respectively). Light scattering cannot be detected at the bonding interface of the ceramic composite by laser tomography. Since the scattering coefficients of the monolithic material and the composite material formed by bonding up to 15 layers of the same materials were both 0.10%/cm, there was no occurrence of light scattering due to the bonding. In addition, it was not detected that the optical distortion and non-uniformity of the refractive index variation were caused by the bonding. An excitation light source (LD = 808 nm) was collimated to 200 μm and irradiated into a commercial 1% Nd:YAG single crystal, but fracture damage occurred at a low damage threshold of 80 kW/cm2. On the other hand, the same test was conducted on the bonded interface of 1% Nd:YAG-YAG composite ceramics fabricated in this study, but it was not damaged until the excitation density reached 127 kW/cm2. 0.6% Nd:YAG-YAG composite ceramics showed high damage resistance (up to 223 kW/cm2). It was concluded that composites formed by bonding polycrystalline ceramics are ideal in terms of thermo-mechanical and optical properties. PMID:29425152

Mineralogy of Iron Microbial Mats from Loihi Seamount

PubMed Central

Toner, Brandy M.; Berquó, Thelma S.; Michel, F. Marc; Sorensen, Jeffry V.; Templeton, Alexis S.; Edwards, Katrina J.

2011-01-01

Extensive mats of Fe oxyhydroxides and associated Fe-oxidizing microbial organisms form in diverse geochemical settings – freshwater seeps to deep-sea vents – where ever opposing Fe(II)-oxygen gradients prevail. The mineralogy, reactivity, and structural transformations of Fe oxyhydroxides precipitated from submarine hydrothermal fluids within microbial mats remains elusive in active and fossil systems. In response, a study of Fe microbial mat formation at the Loihi Seamount was conducted to describe the physical and chemical characteristics of Fe-phases using extended X-ray absorption fine structure spectroscopy, powder X-ray diffraction, synchrotron radiation X-ray total scattering, low-temperature magnetic measurements, and Mössbauer spectroscopy. Particle sizes of 3.5–4.6 nm were estimated from magnetism data, and coherent scattering domain (CSD) sizes as small as 1.6 nm are indicated by pair distribution function (PDF) analysis. Disorder in the nanostructured Fe-bearing phases results in limited intermediate-range structural order: less than that of standard two-line ferrihydrite (Fh), except for the Pohaku site. The short-range ordered natural Fh (FhSRO) phases were stable at 4°C in the presence of oxygen for at least 1 year and during 400°C treatment. The observed stability of the FhSRO is consistent with magnetic observations that point to non-interacting nanoparticles. PDF analyses of total scattering data provide further evidence for FhSRO particles with a poorly ordered silica coating. The presence of coated particles explains the small CSD for the mat minerals, as well as the stability of the minerals over time and against heating. The mineral properties observed here provide a starting point from which progressively older and more extensively altered Fe deposits may be examined, with the ultimate goal of improved interpretation of past biogeochemical conditions and diagenetic processes. PMID:22485113

Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY.

PubMed

Borah, Bhaskar J; Jobic, H; Yashonath, S

2010-04-14

We report the quasielastic neutron scattering (QENS) and molecular dynamics (MD) investigations into diffusion of pentane isomers in zeolite NaY. The molecular cross section perpendicular to the long molecular axis varies for the three isomers while the mass and the isomer-zeolite interaction remains essentially unchanged. Both QENS and MD results show that the branched isomers neopentane and isopentane have higher self-diffusivities as compared with n-pentane at 300 K in NaY zeolite. This result provides direct experimental evidence for the existence of nonmonotonic, anomalous dependence of self-diffusivity on molecular diameter known as the levitation effect. The energetic barrier at the bottleneck derived from MD simulations exists for n-pentane which lies in the linear regime while no such barrier is seen for neopentane which is located clearly in the anomalous regime. Activation energy is in the order E(a)(n-pentane)>E(a)(isopentane)>E(a)(neopentane) consistent with the predictions of the levitation effect. In the liquid phase, it is seen that D(n-pentane)>D(isopentane)>D(neopentane) and E(a)(n-pentane)

Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY

NASA Astrophysics Data System (ADS)

Borah, Bhaskar J.; Jobic, H.; Yashonath, S.

2010-04-01

We report the quasielastic neutron scattering (QENS) and molecular dynamics (MD) investigations into diffusion of pentane isomers in zeolite NaY. The molecular cross section perpendicular to the long molecular axis varies for the three isomers while the mass and the isomer-zeolite interaction remains essentially unchanged. Both QENS and MD results show that the branched isomers neopentane and isopentane have higher self-diffusivities as compared with n-pentane at 300 K in NaY zeolite. This result provides direct experimental evidence for the existence of nonmonotonic, anomalous dependence of self-diffusivity on molecular diameter known as the levitation effect. The energetic barrier at the bottleneck derived from MD simulations exists for n-pentane which lies in the linear regime while no such barrier is seen for neopentane which is located clearly in the anomalous regime. Activation energy is in the order Ea(n-pentane)>Ea(isopentane)>Ea(neopentane) consistent with the predictions of the levitation effect. In the liquid phase, it is seen that D(n-pentane)>D(isopentane)>D(neopentane) and Ea(n-pentane)

Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

NASA Astrophysics Data System (ADS)

Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

2017-12-01

We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

Measuring the Scatter of the Mass–Richness Relation in Galaxy Clusters in Photometric Imaging Surveys by Means of Their Correlation Function

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

Campa, Julia; Estrada, Juan; Flaugher, Brenna

2017-02-03

The knowledge of the scatter in the mass-observable relation is a key ingredient for a cosmological analysis based on galaxy clusters in a photometric survey. We demonstrate here how the linear bias measured in the correlation function for clusters can be used to determine the value of the scatter. The new method is tested in simulations of a 5.000 square degrees optical survey up to z~1, similar to the ongoing Dark Energy Survey. The results indicate that the scatter can be measured with a precision of 5% using this technique.

Scattering of elastic waves by a spheroidal inclusion

NASA Astrophysics Data System (ADS)

Johnson, Lane R.

2018-03-01

An analytical solution is presented for scattering of elastic waves by prolate and oblate spheroidal inclusions. The problem is solved in the frequency domain where separation of variables leads to a solution involving spheroidal wave functions of the angular and radial kind. Unlike the spherical problem, the boundary equations remain coupled with respect to one of the separation indices. Expanding the angular spheroidal wave functions in terms of associated Legendre functions and using their orthogonality properties leads to a set of linear equations that can be solved to simultaneously obtain solutions for all coupled modes of both scattered and interior fields. To illustrate some of the properties of the spheroidal solution, total scattering cross-sections for P, SV and SH plane waves incident at an oblique angle on a prolate spheroid, an oblate spheroid and a sphere are compared. The waveforms of the scattered field exterior to the inclusion are calculated for these same incident waves. The waveforms scattered by a spheroid are strongly dependent upon the angle of incidence, are different for incident SV and SH waves and are asymmetrical about the centre of the spheroid with the asymmetry different for prolate and oblate spheroids.

Time-frequency analysis of acoustic scattering from elastic objects

NASA Astrophysics Data System (ADS)

Yen, Nai-Chyuan; Dragonette, Louis R.; Numrich, Susan K.

1990-06-01

A time-frequency analysis of acoustic scattering from elastic objects was carried out using the time-frequency representation based on a modified version of the Wigner distribution function (WDF) algorithm. A simple and efficient processing algorithm was developed, which provides meaningful interpretation of the scattering physics. The time and frequency representation derived from the WDF algorithm was further reduced to a display which is a skeleton plot, called a vein diagram, that depicts the essential features of the form function. The physical parameters of the scatterer are then extracted from this diagram with the proper interpretation of the scattering phenomena. Several examples, based on data obtained from numerically simulated models and laboratory measurements for elastic spheres and shells, are used to illustrate the capability and proficiency of the algorithm.

Light enpolarization by disordered media under partial polarized illumination: the role of cross-scattering coefficients.

PubMed

Zerrad, M; Soriano, G; Ghabbach, A; Amra, C

2013-02-11

We show how disordered media allow to increase the local degree of polarization (DOP) of an arbitrary (partial) polarized incident beam. The role of cross-scattering coefficients is emphasized, together with the probability density functions (PDF) of the scattering DOP. The average DOP of scattering is calculated versus the incident illumination DOP.

Depolarized Rayleigh and Raman Scattering from Simple Fluids.

NASA Astrophysics Data System (ADS)

Varshneya, Deepak

This thesis deals primarily with the investigation of two issues: (1) The collision induced light scattering integrated intensity of argon at the triple point had been measured to be about an order of magnitude smaller than that calculated in a molecular-dynamics (MD) simulation. (2) In studying certain aspects of the structural dynamics reflected in the collision-induced light scattering one is faced with the problem of assigning the various details of the line shape to particular types of motion. In the tetrahedrally symmetric systems, this problem is further complicated due to the orientational motion of particles and has not been carefully examined in the literature. With regard to the first problem, the integrated intensity was carefully measured experimentally and was also calculated in an MD simulation near the triple point by employing a Lennard-Jones (LJ) interaction potential and a simple dipole-induced-dipole (DID) model for the interaction anisotropy. The experimentally measured intensity was found to be 1.7 times smaller than the MD calculated one and is five times bigger than the previous result of Fleury and McTague('1). When the modified model for the interaction anisotropy proposed by Barocchi and Zoppi('2) was used in the MD calculations, the results were found to be in agreement within the experimental error ((TURNEQ) 10%). In the spectra of tetrahedrally symmetric molecules, the experimental collision-induced Rayleigh and Raman spectra at low frequencies ((LESSTHEQ) 20cm('-1)) were decomposed into a Lorentzian function plus a relatively constant background following the theoretical work of Madden.('3) The density behavior of the half-width of the Lorentzian function, (omega)(,L) obtained from the decomposition of the spectra was examined. In the Rayleigh case, it was noted that (omega)(,L) exhibits a maximum at some intermediate liquid density. Using data of various workers('4-6), it was found that (omega)(,L) for all the systems studied exhibited the peaking behaviour. These results are discussed using the free-volume approach of Cohen and Turnbull('7). An attempt has also been made to understand the molecular motions reflected in the spectra of simple molecular systems in light of the atomic systems. It was concluded that the additional degree of freedom (i.e. relative orientations) can be detected in molecular systems by a comparison with the atomic systems of the integrated intensity as a function of density. However, the time scales characteristic of the orientational motion cannot be separated from those of translational motion at liquid densities because the spectra that arise from these motions are superposed.

Instrumentation on Multi-Scaled Scattering of Bio-Macromolecular Solutions

PubMed Central

Chu, Benjamin; Fang, Dufei; Mao, Yimin

2015-01-01

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

Unified double- and single-sided homogeneous Green’s function representations

PubMed Central

van der Neut, Joost; Slob, Evert

2016-01-01

In wave theory, the homogeneous Green’s function consists of the impulse response to a point source, minus its time-reversal. It can be represented by a closed boundary integral. In many practical situations, the closed boundary integral needs to be approximated by an open boundary integral because the medium of interest is often accessible from one side only. The inherent approximations are acceptable as long as the effects of multiple scattering are negligible. However, in case of strongly inhomogeneous media, the effects of multiple scattering can be severe. We derive double- and single-sided homogeneous Green’s function representations. The single-sided representation applies to situations where the medium can be accessed from one side only. It correctly handles multiple scattering. It employs a focusing function instead of the backward propagating Green’s function in the classical (double-sided) representation. When reflection measurements are available at the accessible boundary of the medium, the focusing function can be retrieved from these measurements. Throughout the paper, we use a unified notation which applies to acoustic, quantum-mechanical, electromagnetic and elastodynamic waves. We foresee many interesting applications of the unified single-sided homogeneous Green’s function representation in holographic imaging and inverse scattering, time-reversed wave field propagation and interferometric Green’s function retrieval. PMID:27436983

Unified double- and single-sided homogeneous Green's function representations

NASA Astrophysics Data System (ADS)

Wapenaar, Kees; van der Neut, Joost; Slob, Evert

2016-06-01

In wave theory, the homogeneous Green's function consists of the impulse response to a point source, minus its time-reversal. It can be represented by a closed boundary integral. In many practical situations, the closed boundary integral needs to be approximated by an open boundary integral because the medium of interest is often accessible from one side only. The inherent approximations are acceptable as long as the effects of multiple scattering are negligible. However, in case of strongly inhomogeneous media, the effects of multiple scattering can be severe. We derive double- and single-sided homogeneous Green's function representations. The single-sided representation applies to situations where the medium can be accessed from one side only. It correctly handles multiple scattering. It employs a focusing function instead of the backward propagating Green's function in the classical (double-sided) representation. When reflection measurements are available at the accessible boundary of the medium, the focusing function can be retrieved from these measurements. Throughout the paper, we use a unified notation which applies to acoustic, quantum-mechanical, electromagnetic and elastodynamic waves. We foresee many interesting applications of the unified single-sided homogeneous Green's function representation in holographic imaging and inverse scattering, time-reversed wave field propagation and interferometric Green's function retrieval.

Teacher's Manual Level Two [French and German]; An Assessment of Three Foreign Language Teaching Strategies. Cooperative Research Project.

ERIC Educational Resources Information Center

Pennsylvania State Dept. of Public Instruction, Harrisburg.

Teaching practices appropriate to 15 different treatments of secondary school intermediate French instruction and to 13 different treatments of secondary school intermediate German instruction are outlined and discussed. Treatments vary by (1) strategy (traditional; audiolingual or functional skills; and modified audiolingual or functional skills…

Preserved local but disrupted contextual figure-ground influences in an individual with abnormal function of intermediate visual areas

PubMed Central

Brooks, Joseph L.; Gilaie-Dotan, Sharon; Rees, Geraint; Bentin, Shlomo; Driver, Jon

2012-01-01

Visual perception depends not only on local stimulus features but also on their relationship to the surrounding stimulus context, as evident in both local and contextual influences on figure-ground segmentation. Intermediate visual areas may play a role in such contextual influences, as we tested here by examining LG, a rare case of developmental visual agnosia. LG has no evident abnormality of brain structure and functional neuroimaging showed relatively normal V1 function, but his intermediate visual areas (V2/V3) function abnormally. We found that contextual influences on figure-ground organization were selectively disrupted in LG, while local sources of figure-ground influences were preserved. Effects of object knowledge and familiarity on figure-ground organization were also significantly diminished. Our results suggest that the mechanisms mediating contextual and familiarity influences on figure-ground organization are dissociable from those mediating local influences on figure-ground assignment. The disruption of contextual processing in intermediate visual areas may play a role in the substantial object recognition difficulties experienced by LG. PMID:22947116

Spatial frequency spectrum of the x-ray scatter distribution in CBCT projections

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

Bootsma, G. J.; Verhaegen, F.; Department of Oncology, Medical Physics Unit, McGill University, Montreal, Quebec H3G 1A4

2013-11-15

Purpose: X-ray scatter is a source of significant image quality loss in cone-beam computed tomography (CBCT). The use of Monte Carlo (MC) simulations separating primary and scattered photons has allowed the structure and nature of the scatter distribution in CBCT to become better elucidated. This work seeks to quantify the structure and determine a suitable basis function for the scatter distribution by examining its spectral components using Fourier analysis.Methods: The scatter distribution projection data were simulated using a CBCT MC model based on the EGSnrc code. CBCT projection data, with separated primary and scatter signal, were generated for a 30.6more » cm diameter water cylinder [single angle projection with varying axis-to-detector distance (ADD) and bowtie filters] and two anthropomorphic phantoms (head and pelvis, 360 projections sampled every 1°, with and without a compensator). The Fourier transform of the resulting scatter distributions was computed and analyzed both qualitatively and quantitatively. A novel metric called the scatter frequency width (SFW) is introduced to determine the scatter distribution's frequency content. The frequency content results are used to determine a set basis functions, consisting of low-frequency sine and cosine functions, to fit and denoise the scatter distribution generated from MC simulations using a reduced number of photons and projections. The signal recovery is implemented using Fourier filtering (low-pass Butterworth filter) and interpolation. Estimates of the scatter distribution are used to correct and reconstruct simulated projections.Results: The spatial and angular frequencies are contained within a maximum frequency of 0.1 cm{sup −1} and 7/(2π) rad{sup −1} for the imaging scenarios examined, with these values varying depending on the object and imaging setup (e.g., ADD and compensator). These data indicate spatial and angular sampling every 5 cm and π/7 rad (∼25°) can be used to properly capture the scatter distribution, with reduced sampling possible depending on the imaging scenario. Using a low-pass Butterworth filter, tuned with the SFW values, to denoise the scatter projection data generated from MC simulations using 10{sup 6} photons resulted in an error reduction of greater than 85% for the estimating scatter in single and multiple projections. Analysis showed that the use of a compensator helped reduce the error in estimating the scatter distribution from limited photon simulations by more than 37% when compared to the case without a compensator for the head and pelvis phantoms. Reconstructions of simulated head phantom projections corrected by the filtered and interpolated scatter estimates showed improvements in overall image quality.Conclusions: The spatial frequency content of the scatter distribution in CBCT is found to be contained within the low frequency domain. The frequency content is modulated both by object and imaging parameters (ADD and compensator). The low-frequency nature of the scatter distribution allows for a limited set of sine and cosine basis functions to be used to accurately represent the scatter signal in the presence of noise and reduced data sampling decreasing MC based scatter estimation time. Compensator induced modulation of the scatter distribution reduces the frequency content and improves the fitting results.« less

Pathways for virus assembly around nucleic acids

PubMed Central

Perlmutter, Jason D; Perkett, Matthew R

2014-01-01

Understanding the pathways by which viral capsid proteins assemble around their genomes could identify key intermediates as potential drug targets. In this work we use computer simulations to characterize assembly over a wide range of capsid protein-protein interaction strengths and solution ionic strengths. We find that assembly pathways can be categorized into two classes, in which intermediates are either predominantly ordered or disordered. Our results suggest that estimating the protein-protein and the protein-genome binding affinities may be sufficient to predict which pathway occurs. Furthermore, the calculated phase diagrams suggest that knowledge of the dominant assembly pathway and its relationship to control parameters could identify optimal strategies to thwart or redirect assembly to block infection. Finally, analysis of simulation trajectories suggests that the two classes of assembly pathways can be distinguished in single molecule fluorescence correlation spectroscopy or bulk time resolved small angle x-ray scattering experiments. PMID:25036288

Beam normal spin asymmetry for the e p →e Δ (1232 ) process

NASA Astrophysics Data System (ADS)

Carlson, Carl E.; Pasquini, Barbara; Pauk, Vladyslav; Vanderhaeghen, Marc

2017-12-01

We calculate the single spin asymmetry for the e p →e Δ (1232 ) process, for an electron beam polarized normal to the scattering plane. Such single spin asymmetries vanish in the one-photon exchange approximation and are directly proportional to the absorptive part of a two-photon exchange amplitude. As the intermediate state in such a two-photon exchange process is on its mass shell, the asymmetry allows one to access for the first time the on-shell Δ →Δ as well as N*→Δ electromagnetic transitions. We present the general formalism to describe the e p →e Δ beam normal spin asymmetry, and we provide a numerical estimate of its value using the nucleon, Δ (1232 ), S11(1535 ), and D13(1520 ) intermediate states. We compare our results with the first data from the Qweak@JLab experiment and give predictions for the A4@MAMI experiment.

NIMROD: The Near and InterMediate Range Order Diffractometer of the ISIS second target station.

PubMed

Bowron, D T; Soper, A K; Jones, K; Ansell, S; Birch, S; Norris, J; Perrott, L; Riedel, D; Rhodes, N J; Wakefield, S R; Botti, A; Ricci, M-A; Grazzi, F; Zoppi, M

2010-03-01

NIMROD is the Near and InterMediate Range Order Diffractometer of the ISIS second target station. Its design is optimized for structural studies of disordered materials and liquids on a continuous length scale that extends from the atomic, upward of 30 nm, while maintaining subatomic distance resolution. This capability is achieved by matching a low and wider angle array of high efficiency neutron scintillation detectors to the broad band-pass radiation delivered by a hybrid liquid water and liquid hydrogen neutron moderator assembly. The capabilities of the instrument bridge the gap between conventional small angle neutron scattering and wide angle diffraction through the use of a common calibration procedure for the entire length scale. This allows the instrument to obtain information on nanoscale systems and processes that are quantitatively linked to the local atomic and molecular order of the materials under investigation.

Investigation of scattering coefficients and anisotropy factors of human cancerous and normal prostate tissues using Mie theory

NASA Astrophysics Data System (ADS)

Pu, Yang; Chen, Jun; Wang, Wubao

2014-02-01

The scattering coefficient, μs, the anisotropy factor, g, the scattering phase function, p(θ), and the angular dependence of scattering intensity distributions of human cancerous and normal prostate tissues were systematically investigated as a function of wavelength, scattering angle and scattering particle size using Mie theory and experimental parameters. The Matlab-based codes using Mie theory for both spherical and cylindrical models were developed and applied for studying the light propagation and the key scattering properties of the prostate tissues. The optical and structural parameters of tissue such as the index of refraction of cytoplasm, size of nuclei, and the diameter of the nucleoli for cancerous and normal human prostate tissues obtained from the previous biological, biomedical and bio-optic studies were used for Mie theory simulation and calculation. The wavelength dependence of scattering coefficient and anisotropy factor were investigated in the wide spectral range from 300 nm to 1200 nm. The scattering particle size dependence of μs, g, and scattering angular distributions were studied for cancerous and normal prostate tissues. The results show that cancerous prostate tissue containing larger size scattering particles has more contribution to the forward scattering in comparison with the normal prostate tissue. In addition to the conventional simulation model that approximately considers the scattering particle as sphere, the cylinder model which is more suitable for fiber-like tissue frame components such as collagen and elastin was used for developing a computation code to study angular dependence of scattering in prostate tissues. To the best of our knowledge, this is the first study to deal with both spherical and cylindrical scattering particles in prostate tissues.

SPIN EFFECT ON THE POSITION OF REGGE POLES (in Russian)

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

Azimov, Ya.I.

1962-12-01

An accumulation of poles in the l-plane STAl = -(3n - 5)/2!, found by V. N. Gribov et al. (Phys. Rev. Lett., 9: 239(1962)), imposes a certain limitation on the asymptotic behavior of scattering amplitudes. The effects of particle spin on the position of the accumulations were analyzed using the simple case of two neutral spinless particles ( rature of the d mesons) in which spin particles (nucleon pairs) appear at an intermediate stage. The amplitude near the particle production threshold is proportional to pl, where p is particle production momentum, l is the orbital moment. The l magnitude dependsmore » on the orbital rature of the d -meson moment J and the total particle spin. The minimum value of l is J -- 2 122 to 158 deg , where 122 to 158 deg is the spin of each particle. The analysis indicates accumulation of poles at J = --1/2 + 20. Thus, the accumulation appears in spinless particle scattering amplitudes and all amplitudes related to it by a unitarity condition. Similarly, the n- particle production threshold for identical spins 122 to 158 deg leads to pole accumulations at J == --(3n -- 5)/2 + n 122 to 158 deg . The case of intermediate N-- N pairs was analyzed as a case of pole accumulation at arbitrary energy. In the first postulation relativistic theory considering high particle spin posed certain difficulties, however, elementary particles do not possess spins larger than a 1. Higher spins can be found in nuclei, however, data on nuclear amplitude anomalies are not yet sufficient. The second postulation is more detailed, and it is possible that the liquidation of accumulations could be achieved without special conditions. It was also observed that due to the gradient invariability the two-photon intermediate state does not result in accumulations either in the 1 or in 0. (R.V.J.)« less

Variational treatment of electron-polyatomic-molecule scattering calculations using adaptive overset grids

NASA Astrophysics Data System (ADS)

Greenman, Loren; Lucchese, Robert R.; McCurdy, C. William

2017-11-01

The complex Kohn variational method for electron-polyatomic-molecule scattering is formulated using an overset-grid representation of the scattering wave function. The overset grid consists of a central grid and multiple dense atom-centered subgrids that allow the simultaneous spherical expansions of the wave function about multiple centers. Scattering boundary conditions are enforced by using a basis formed by the repeated application of the free-particle Green's function and potential Ĝ0+V ̂ on the overset grid in a Born-Arnoldi solution of the working equations. The theory is shown to be equivalent to a specific Padé approximant to the T matrix and has rapid convergence properties, in both the number of numerical basis functions employed and the number of partial waves employed in the spherical expansions. The method is demonstrated in calculations on methane and CF4 in the static-exchange approximation and compared in detail with calculations performed with the numerical Schwinger variational approach based on single-center expansions. An efficient procedure for operating with the free-particle Green's function and exchange operators (to which no approximation is made) is also described.

Numerical Green's functions in optical potential calculations for positron scattering from argon and neon

NASA Technical Reports Server (NTRS)

Bartschat, K.; Mceachran, R. P.; Stauffer, A. D.

1990-01-01

An optical potential method was applied to the calculation of positron scattering from the noble gases in order to determine the effect of open excitation channels on the shape of differential scattering cross sections.

Apparatus and method for spectroscopic analysis of scattering media

DOEpatents

Strobl, Karlheinz; Bigio, Irving J.; Loree, Thomas R.

1994-01-01

Apparatus and method for spectroscopic analysis of scattering media. Subtle differences in materials have been found to be detectable from plots of intensity as a function of wavelength of collected emitted and scattered light versus wavelength of excitation light.

Small-Angle Scatter Measurement.

NASA Astrophysics Data System (ADS)

Wein, Steven Jay

The design, analysis, and performance of a small -angle scatterometer are presented. The effects of the diffraction background, geometrical aberrations and system scatter at the small-angles are separated. Graphs are provided that quantify their contribution. The far-field irradiance distributions of weakly truncated and untruncated Gaussian beams are compared. The envelope of diffraction ringing is shown to decrease proportionately with the level of truncation in the pupil. Spherical aberration and defocus are shown to have little effect on the higher-order diffraction rings of Gaussian apertures and as such will have a negligible effect on most scatter measurements. A method is presented for determining the scattered irradiance level for a given BRDF in relation to the peak irradiance of the point spread function. A method of Gaussian apodization is presented and tested that allows the level of diffraction ringing to become a design parameter. Upon sufficient reduction of the diffraction background, the scattered light from the scatterometers' primary mirror is seen to be the limiting component of the small-angle instrument profile. The scatterometer described was able to make a meaningful measurement close enough to the specular direction at 0.6328mum in order to observe the characteristic height and width of the scatter function. This allowed the rms roughness and autocorrelation length of the surface to be determined from the scatter data at this wavelength. The inferred rms roughness agreed well with an independent optical profilometer measurement of the surface. The BRDF of the samples were also measured at 10.6mum. The rms roughness inferred from this scatter data did not agree with the other measurements. The BRDF did not scale in accordance with the scaler diffraction theory of microrough surfaces. The scattering in the visible was dominated by the effects of surface roughness whereas the scattering in the far-infrared was apparently dominated by the effects of contaminants and surface defects. The model for the surface statistics is investigated. A K_0 (modified Bessel function) autocorrelation function is shown to predict the scattered light distribution of these samples much better than the conventional negative -exponential function. Additionally, a sampling theory is developed that addresses the negative-exponentially correlated output of lock-in amplifiers, detectors, and electronic circuits in general. It is shown that the optimum sampling rate is approximately one sample per time constant and at this rate the improvement in SNR is sqrt {N/2} where N is the number of measurements.

Fading channel simulator

DOEpatents

Argo, Paul E.; Fitzgerald, T. Joseph

1993-01-01

Fading channel effects on a transmitted communication signal are simulated with both frequency and time variations using a channel scattering function to affect the transmitted signal. A conventional channel scattering function is converted to a series of channel realizations by multiplying the square root of the channel scattering function by a complex number of which the real and imaginary parts are each independent variables. The two-dimensional inverse-FFT of this complex-valued channel realization yields a matrix of channel coefficients that provide a complete frequency-time description of the channel. The transmitted radio signal is segmented to provide a series of transmitted signal and each segment is subject to FFT to generate a series of signal coefficient matrices. The channel coefficient matrices and signal coefficient matrices are then multiplied and subjected to inverse-FFT to output a signal representing the received affected radio signal. A variety of channel scattering functions can be used to characterize the response of a transmitter-receiver system to such atmospheric effects.

Analysis of Serine Codon Conservation Reveals Diverse Phenotypic Constraints on Hepatitis C Virus Glycoprotein Evolution

PubMed Central

Koutsoudakis, George; Urbanowicz, Richard A.; Mirza, Deeman; Ginkel, Corinne; Riebesehl, Nina; Calland, Noémie; Albecka, Anna; Price, Louisa; Hudson, Natalia; Descamps, Véronique; Backx, Matthijs; McClure, C. Patrick; Duverlie, Gilles; Pecheur, Eve-Isabelle; Dubuisson, Jean; Perez-del-Pulgar, Sofia; Forns, Xavier; Steinmann, Eike; Tarr, Alexander W.; Pietschmann, Thomas

2014-01-01

Serine is encoded by two divergent codon types, UCN and AGY, which are not interchangeable by a single nucleotide substitution. Switching between codon types therefore occurs via intermediates (threonine or cysteine) or via simultaneous tandem substitutions. Hepatitis C virus (HCV) chronically infects 2 to 3% of the global population. The highly variable glycoproteins E1 and E2 decorate the surface of the viral envelope, facilitate cellular entry, and are targets for host immunity. Comparative sequence analysis of globally sampled E1E2 genes, coupled with phylogenetic analysis, reveals the signatures of multiple archaic codon-switching events at seven highly conserved serine residues. Limited detection of intermediate phenotypes indicates that associated fitness costs restrict their fixation in divergent HCV lineages. Mutational pathways underlying codon switching were probed via reverse genetics, assessing glycoprotein functionality using multiple in vitro systems. These data demonstrate selection against intermediate phenotypes can act at the structural/functional level, with some intermediates displaying impaired virion assembly and/or decreased capacity for target cell entry. These effects act in residue/isolate-specific manner. Selection against intermediates is also provided by humoral targeting, with some intermediates exhibiting increased epitope exposure and enhanced neutralization sensitivity, despite maintaining a capacity for target cell entry. Thus, purifying selection against intermediates limits their frequencies in globally sampled strains, with divergent functional constraints at the protein level restricting the fixation of deleterious mutations. Overall our study provides an experimental framework for identification of barriers limiting viral substitutional evolution and indicates that serine codon-switching represents a genomic “fossil record” of historical purifying selection against E1E2 intermediate phenotypes. PMID:24173227

Dispersion relation for hadronic light-by-light scattering: two-pion contributions

DOE PAGES

Colangelo, Gilberto; Hoferichter, Martin; Procura, Massimiliano; ...

2017-04-27

In our third paper of a series dedicated to a dispersive treatment of the hadronic light-by-light (HLbL) tensor, we derive a partial-wave formulation for two-pion intermediate states in the HLbL contribution to the anomalous magnetic moment of the muon (g - 2) μ, including a detailed discussion of the unitarity relation for arbitrary partial waves. We show that obtaining a final expression free from unphysical helicity partial waves is a subtle issue, which we thoroughly clarify. As a by-product, we obtain a set of sum rules that could be used to constrain future calculations of γ*γ* → ππ. We validate the formalism extensively using the pion-box contribution, defined by two-pion intermediate states with a pion-pole left-hand cut, and demonstrate how the full known result is reproduced when resumming the partial waves. Using dispersive fits to high-statistics data for the pion vector form factor, we provide an evaluation of the full pion box, amore » $$π-box\\atop{μ}$$ =-15.9(2) × 10 -11. As an application of the partial-wave formalism, we present a first calculation of ππ-rescattering effects in HLbL scattering, with γ*γ* → ππ helicity partial waves constructed dispersively using ππ phase shifts derived from the inverse-amplitude method. In this way, the isospin-0 part of our calculation can be interpreted as the contribution of the f0(500) to HLbL scattering in (g - 2) μ. We also argue that the contribution due to charged-pion rescattering implements corrections related to the corresponding pion polarizability and show that these are moderate. Our final result for the sum of pion-box contribution and its S-wave rescattering corrections reads a$$π-box\\atop{μ}$$ + a$$ππ, π-pole LHC\\atop{μ, J=0}$$ = -24(1) × 10 -11.« less

Dispersion relation for hadronic light-by-light scattering: two-pion contributions

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

Colangelo, Gilberto; Hoferichter, Martin; Procura, Massimiliano

In our third paper of a series dedicated to a dispersive treatment of the hadronic light-by-light (HLbL) tensor, we derive a partial-wave formulation for two-pion intermediate states in the HLbL contribution to the anomalous magnetic moment of the muon (g - 2) μ, including a detailed discussion of the unitarity relation for arbitrary partial waves. We show that obtaining a final expression free from unphysical helicity partial waves is a subtle issue, which we thoroughly clarify. As a by-product, we obtain a set of sum rules that could be used to constrain future calculations of γ*γ* → ππ. We validate the formalism extensively using the pion-box contribution, defined by two-pion intermediate states with a pion-pole left-hand cut, and demonstrate how the full known result is reproduced when resumming the partial waves. Using dispersive fits to high-statistics data for the pion vector form factor, we provide an evaluation of the full pion box, amore » $$π-box\\atop{μ}$$ =-15.9(2) × 10 -11. As an application of the partial-wave formalism, we present a first calculation of ππ-rescattering effects in HLbL scattering, with γ*γ* → ππ helicity partial waves constructed dispersively using ππ phase shifts derived from the inverse-amplitude method. In this way, the isospin-0 part of our calculation can be interpreted as the contribution of the f0(500) to HLbL scattering in (g - 2) μ. We also argue that the contribution due to charged-pion rescattering implements corrections related to the corresponding pion polarizability and show that these are moderate. Our final result for the sum of pion-box contribution and its S-wave rescattering corrections reads a$$π-box\\atop{μ}$$ + a$$ππ, π-pole LHC\\atop{μ, J=0}$$ = -24(1) × 10 -11.« less

SU-E-T-439: An Improved Formula of Scatter-To-Primary Ratio for Photon Dose Calculation

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

Zhu, T

2014-06-01

Purpose: Scatter-to-primary ratio (SPR) is an important dosimetric quantity that describes the contribution from the scatter photons in an external photon beam. The purpose of this study is to develop an improved analytical formula to describe SPR as a function of circular field size (r) and depth (d) using Monte Carlo (MC) simulation. Methods: MC simulation was performed for Mohan photon spectra (Co-60, 4, 6, 10, 15, 23 MV) using EGSNRC code. Point-spread scatter dose kernels in water are generated. The scatter-to-primary ratio (SPR) is also calculated using MC simulation as a function of field size for circular field sizemore » with radius r and depth d. The doses from forward scatter and backscatter photons are calculated using a convolution of the point-spread scatter dose kernel and by accounting for scatter photons contributing to dose before (z'd) reaching the depth of interest, d, where z' is the location of scatter photons, respectively. The depth dependence of the ratio of the forward scatter and backscatter doses is determined as a function of depth and field size. Results: We are able to improve the existing 3-parameter (a, w, d0) empirical formula for SPR by introducing depth dependence for one of the parameter d0, which becomes 0 for deeper depths. The depth dependence of d0 can be directly calculated as a ratio of backscatter-to-forward scatter doses for otherwise the same field and depth. With the improved empirical formula, we can fit SPR for all megavoltage photon beams to within 2%. Existing 3-parameter formula cannot fit SPR data for Co-60 to better than 3.1%. Conclusion: An improved empirical formula is developed to fit SPR for all megavoltage photon energies to within 2%.« less

Application of the weighted total field-scattering field technique to 3D-PSTD light scattering model

NASA Astrophysics Data System (ADS)

Hu, Shuai; Gao, Taichang; Liu, Lei; Li, Hao; Chen, Ming; Yang, Bo

2018-04-01

PSTD (Pseudo Spectral Time Domain) is an excellent model for the light scattering simulation of nonspherical aerosol particles. However, due to the particularity of its discretization form of the Maxwell's equations, the traditional Total Field/Scattering Field (TF/SF) technique for FDTD (Finite Differential Time Domain) is not applicable to PSTD, and the time-consuming pure scattering field technique is mainly applied to introduce the incident wave. To this end, the weighted TF/SF technique proposed by X. Gao is generalized and applied to the 3D-PSTD scattering model. Using this technique, the incident light can be effectively introduced by modifying the electromagnetic components in an inserted connecting region between the total field and the scattering field region with incident terms, where the incident terms are obtained by weighting the incident field by a window function. To optimally determine the thickness of connection region and the window function type for PSTD calculations, their influence on the modeling accuracy is firstly analyzed. To further verify the effectiveness and advantages of the weighted TF/SF technique, the improved PSTD model is validated against the PSTD model equipped with pure scattering field technique in both calculation accuracy and efficiency. The results show that, the performance of PSTD seems to be not sensitive to variation of window functions. The number of the connection layer required decreases with the increasing of spatial resolution, where for spatial resolution of 24 grids per wavelength, a 6-layer region is thick enough. The scattering phase matrices and integral scattering parameters obtained by the improved PSTD show an excellent consistency with those well-tested models for spherical and nonspherical particles, illustrating that the weighted TF/SF technique can introduce the incident precisely. The weighted TF/SF technique shows higher computational efficiency than pure scattering technique.

A catalogue of normalized intensity functions and polarization from a cloud of particles with a size distribution of alpha to the minus 4th power

NASA Technical Reports Server (NTRS)

Craven, P. D.; Gary, G. A.

1972-01-01

The Mie theory of light scattering by spheres was used to calculate the scattered intensity functions resulting from single scattering in a polydispersed collection of spheres. The distribution used behaves according to the inverse fourth power law; graphs and tables for the angular dependence of the intensity and polarization for this law are given. The effects of the particle size range and the integration increment are investigated.

X-ray resonant magnetic scattering ellipsometer

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

Xu, Z.; Randall, K.J.; Gluskin, E.

1996-09-01

It is very difficult to characterize the polarization of a synchrotron radiation source in the soft and/or intermediate x-ray energy region particularly from 1 to 2 keV. Conventional multilayer mirror or single-crystal polarimeters do not work over this energy region because their throughput (the reflectivities combined with the phase shift) becomes insignificant. In this paper, we present a new ellipsometer scheme that is able to fully characterize the polarization of synchrotron radiation sources in this energy region. It is based on the dichroic x-ray resonant ferromagnetic scattering that yields information on both the polarization of the x-ray and the materialmore » (element specific) dielectric-constant tensor [C.-C. Kao {ital et} {ital al}., Phys. Rev. B {bold 50}, 9599 (1994)] due to the interband ferromagnetic Kerr effect [B.R. Cooper, Phys. Rev. A {bold 139}, 1504 (1965)]. {copyright} {ital 1996 American Institute of Physics.}« less

High pressure stability of protein complexes studied by static and dynamic light scattering

NASA Astrophysics Data System (ADS)

Gebhardt, Ronald; Kulozik, Ulrich

2011-03-01

The high pressure dissociation of hemocyanin prepared from the lobster Homarus americanus and casein micelles from cow milk were observed by in situ light scattering. The hemocyanin dodecamer dissociated via a hexamer into monomers in a two-step three-species reaction. The influence of ligands and the effector l-lactate on the dissociation behavior was investigated. While no effect by carbon monoxide after exchanging the ligand oxygen was observed, the addition of the effector l-lactate led to a decrease in the pressure stability. Due to a trimer intermediate which was found to be stabilized by l-lactate, the dissociation reaction in the presence of the effector was analyzed by a three-step four-species reaction. In the case of casein micelles, a two-step dissociation mechanism was found. The stabilizing interactions of casein micelles were identified and separated.

Scattering from arbitrarily shaped microstrip patch antennas

NASA Technical Reports Server (NTRS)

Shively, David G.; Deshpande, Manohar D.; Cockrell, Capers R.

1992-01-01

The scattering properties of arbitrarily shaped microstrip patch antennas are examined. The electric field integral equation for a current element on a grounded dielectric slab is developed for a rectangular geometry based on Galerkin's technique with subdomain rooftop basis functions. A shape function is introduced that allows a rectangular grid approximation to the arbitrarily shaped patch. The incident field on the patch is expressed as a function of incidence angle theta(i), phi(i). The resulting system of equations is then solved for the unknown current modes on the patch, and the electromagnetic scattering is calculated for a given angle. Comparisons are made with other calculated results as well as with measurements.

Derivation of phase functions from multiply scattered sunlight transmitted through a hazy atmosphere

NASA Technical Reports Server (NTRS)

Weinman, J. A.; Twitty, J. T.; Browning, S. R.; Herman, B. M.

1975-01-01

The intensity of sunlight multiply scattered in model atmospheres is derived from the equation of radiative transfer by an analytical small-angle approximation. The approximate analytical solutions are compared to rigorous numerical solutions of the same problem. Results obtained from an aerosol-laden model atmosphere are presented. Agreement between the rigorous and the approximate solutions is found to be within a few per cent. The analytical solution to the problem which considers an aerosol-laden atmosphere is then inverted to yield a phase function which describes a single scattering event at small angles. The effect of noisy data on the derived phase function is discussed.

Quark-hadron duality in lepton scattering off nucleons

NASA Astrophysics Data System (ADS)

Graczyk, Krzysztof M.

2010-03-01

Quark-hadron (QH) duality in lepton scattering off nucleons is studied with the resonance quark model. It is shown that in the case of neutrino scattering off an isoscalar target the duality is simultaneously observed for charged and neutral currents xF1νN, F2νN, and xF3νN weak structure functions. We demonstrate that the QH duality can be a useful property for modeling structure functions in the so-called resonance region. As an example it is shown that combining relativistic quark model predictions with duality arguments allows a construction of the inclusive resonance F2ep structure function.

Radiative transfer in an atmosphere-ocean system.

PubMed

Plass, G N; Kattawar, G W

1969-02-01

The radiation field for an atmosphere-ocean system is calculated by a Monte Carlo method. In the atmosphere, both Rayleigh scattering by the molecules and Mie scattering by the aerosols and water droplets, when present, as well as molecular and aerosol absorption are included in the model. Similarly, in the ocean, both Rayleigh scattering by the water molecules and Mie scattering by the hydrosols as well as absorption by the water molecules and hydrosols are considered. Separate scattering functions are calculated from the Mie theory for the water droplets in clouds, the aerosols, and the hydrosols with an appropriate and different size distribution in each case. The photon path is followed accurately in three dimensions with new scattering angles determined from the appropriate scattering function including the strong forward scattering peak. Both the reflected and refracted rays, as well as the rays that undergo total internal reflection, are followed at the ocean surface, which is assumed smooth. The ocean floor is represented by a Lambert surface. The radiance and flux are given for two wavelengths, three solar angles, shallow and deep oceans, various albedos of ocean floor, various depths in atmosphere and ocean, and with and without clouds in the atmosphere.